From 4dff65b5293d943a5abb5ea3f9628036b62a3c4b Mon Sep 17 00:00:00 2001 From: Michael Scherbela Date: Tue, 5 Mar 2024 13:57:46 +0100 Subject: [PATCH] Added energy data for NatComm paper, which was missing in energies.csv --- datasets/db/energies.csv | 18502 ++++++++++++++++++++++++++++--------- 1 file changed, 14296 insertions(+), 4206 deletions(-) diff --git a/datasets/db/energies.csv b/datasets/db/energies.csv index cf30119..be95957 100644 --- a/datasets/db/energies.csv +++ b/datasets/db/energies.csv @@ -1,4206 +1,14296 @@ -,geom,geom_comment,molecule,n_pretrain_HF,energy_type,epoch,E,E_sigma,wandb_url,experiment,source,method,embedding,orbitals,reuse_from,n_pretrain_variational,n_shared_molecules,epoch_geom,n_moelcules_shared,batch_size,HF_pretraining_loss,n_compounds,model_size -4796,01fac64e87ffccc6cd2a67f3e8a0ba70,CN2H2_smiles_N=C=N_rot_dist_58,CN2H2,,,0.0,-148.38657106,,,CCSD(T)_ccpCVDZ,pyscf_CCSD(T)_ccpCVDZ,indep,,,,,,,,,,, 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-11846,f0ca4b85ea32b0f931c64ebbbc90cab6,C3H4_smiles_C=C=C_rot_dist_0,C3H4,,,,-116.43095880434,,,CCSD(T)_ccpCVDZ,orca_CCSD(T)_ccpCVDZ,indep,,,,,,,,,,, -11848,01bae9b31688b0768f3d5666e3828caa,C3H4_rotated_torsion_d90,C3H4,,,,-116.474272780233,,,CCSD(T)_ccpCVTZ,orca_CCSD(T)_ccpCVTZ,indep,,,,,,,,,,, -11850,2ada4d43a92495d25049777b0a8e121f,C3H4_rotated_torsion_d70,C3H4,,,,-116.520580251757,,,CCSD(T)_ccpCVTZ,orca_CCSD(T)_ccpCVTZ,indep,,,,,,,,,,, -11852,2c175e17b520f3822a7e600f4b1f0fe9,C3H4_rotated_torsion_d80,C3H4,,,,-116.50235651272,,,CCSD(T)_ccpCVTZ,orca_CCSD(T)_ccpCVTZ,indep,,,,,,,,,,, -11854,58216d1783b8bcfdd583b98d6a4ddfa7,C3H4_rotated_torsion_d30,C3H4,,,,-116.573635881075,,,CCSD(T)_ccpCVTZ,orca_CCSD(T)_ccpCVTZ,indep,,,,,,,,,,, -11856,6440c80965bb2e5d6f0313a33c6219c9,C3H4_rotated_torsion_d10,C3H4,,,,-116.58482858354,,,CCSD(T)_ccpCVTZ,orca_CCSD(T)_ccpCVTZ,indep,,,,,,,,,,, -11858,844d7891a3c63a5671ee42fb086a6c81,C3H4_rotated_torsion_d20,C3H4,,,,-116.58059259435,,,CCSD(T)_ccpCVTZ,orca_CCSD(T)_ccpCVTZ,indep,,,,,,,,,,, -11860,87f42e325b1aa7dc281923c8f060ae70,C3H4_rotated_torsion_d50,C3H4,,,,-116.551857876887,,,CCSD(T)_ccpCVTZ,orca_CCSD(T)_ccpCVTZ,indep,,,,,,,,,,, -11862,c84a15f75562d4a4ce46ef60f4923c83,C3H4_rotated_torsion_d40,C3H4,,,,-116.564023771786,,,CCSD(T)_ccpCVTZ,orca_CCSD(T)_ccpCVTZ,indep,,,,,,,,,,, -11864,d5e241167d063ffa59f853a2bc42bc00,C3H4_rotated_torsion_d60,C3H4,,,,-116.537293908624,,,CCSD(T)_ccpCVTZ,orca_CCSD(T)_ccpCVTZ,indep,,,,,,,,,,, -11866,f0ca4b85ea32b0f931c64ebbbc90cab6,C3H4_smiles_C=C=C_rot_dist_0,C3H4,,,,-116.586306980258,,,CCSD(T)_ccpCVTZ,orca_CCSD(T)_ccpCVTZ,indep,,,,,,,,,,, -11868,01bae9b31688b0768f3d5666e3828caa,C3H4_rotated_torsion_d90,C3H4,,,,-116.521021277255,,,CCSD(T)_ccpCVQZ,orca_CCSD(T)_ccpCVQZ,indep,,,,,,,,,,, -11870,2ada4d43a92495d25049777b0a8e121f,C3H4_rotated_torsion_d70,C3H4,,,,-116.566006083897,,,CCSD(T)_ccpCVQZ,orca_CCSD(T)_ccpCVQZ,indep,,,,,,,,,,, -11872,2c175e17b520f3822a7e600f4b1f0fe9,C3H4_rotated_torsion_d80,C3H4,,,,-116.547769555963,,,CCSD(T)_ccpCVQZ,orca_CCSD(T)_ccpCVQZ,indep,,,,,,,,,,, -11874,58216d1783b8bcfdd583b98d6a4ddfa7,C3H4_rotated_torsion_d30,C3H4,,,,-116.618922558301,,,CCSD(T)_ccpCVQZ,orca_CCSD(T)_ccpCVQZ,indep,,,,,,,,,,, -11876,6440c80965bb2e5d6f0313a33c6219c9,C3H4_rotated_torsion_d10,C3H4,,,,-116.630078150728,,,CCSD(T)_ccpCVQZ,orca_CCSD(T)_ccpCVQZ,indep,,,,,,,,,,, -11878,844d7891a3c63a5671ee42fb086a6c81,C3H4_rotated_torsion_d20,C3H4,,,,-116.625856463557,,,CCSD(T)_ccpCVQZ,orca_CCSD(T)_ccpCVQZ,indep,,,,,,,,,,, -11880,87f42e325b1aa7dc281923c8f060ae70,C3H4_rotated_torsion_d50,C3H4,,,,-116.597211079045,,,CCSD(T)_ccpCVQZ,orca_CCSD(T)_ccpCVQZ,indep,,,,,,,,,,, -11882,c84a15f75562d4a4ce46ef60f4923c83,C3H4_rotated_torsion_d40,C3H4,,,,-116.609340869292,,,CCSD(T)_ccpCVQZ,orca_CCSD(T)_ccpCVQZ,indep,,,,,,,,,,, -11884,d5e241167d063ffa59f853a2bc42bc00,C3H4_rotated_torsion_d60,C3H4,,,,-116.582685970926,,,CCSD(T)_ccpCVQZ,orca_CCSD(T)_ccpCVQZ,indep,,,,,,,,,,, -11886,f0ca4b85ea32b0f931c64ebbbc90cab6,C3H4_smiles_C=C=C_rot_dist_0,C3H4,,,,-116.631549253248,,,CCSD(T)_ccpCVQZ,orca_CCSD(T)_ccpCVQZ,indep,,,,,,,,,,, -11889,01bae9b31688b0768f3d5666e3828caa,C3H4_rotated_torsion_d90,C3H4,,,,-115.80826159433973,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -11893,2ada4d43a92495d25049777b0a8e121f,C3H4_rotated_torsion_d70,C3H4,,,,-115.84270197056604,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -11897,2c175e17b520f3822a7e600f4b1f0fe9,C3H4_rotated_torsion_d80,C3H4,,,,-115.82318971399948,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -11901,58216d1783b8bcfdd583b98d6a4ddfa7,C3H4_rotated_torsion_d30,C3H4,,,,-115.90161698770008,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -11905,6440c80965bb2e5d6f0313a33c6219c9,C3H4_rotated_torsion_d10,C3H4,,,,-115.91411851034536,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -11909,844d7891a3c63a5671ee42fb086a6c81,C3H4_rotated_torsion_d20,C3H4,,,,-115.90938816222094,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -11913,87f42e325b1aa7dc281923c8f060ae70,C3H4_rotated_torsion_d50,C3H4,,,,-115.8772965711926,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -11917,c84a15f75562d4a4ce46ef60f4923c83,C3H4_rotated_torsion_d40,C3H4,,,,-115.8908780155926,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -11921,d5e241167d063ffa59f853a2bc42bc00,C3H4_rotated_torsion_d60,C3H4,,,,-115.86109327287872,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -11925,f0ca4b85ea32b0f931c64ebbbc90cab6,C3H4_smiles_C=C=C_rot_dist_0,C3H4,,,,-115.9157689166692,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -11928,40a23fd7c82df9bb73c4ee7181712725,Cylobutadiene_transition_0.2,Cyclobutadiene,,,,-154.380095669396,,,CCSD(T)_ccpCVDZ,orca_CCSD(T)_ccpCVDZ,indep,,,,,,,,,,, -11930,510c19f6e48f0c0d80b9824d8182a98e,Cyclobutadiene_0,Cyclobutadiene,,,,-154.37179850337,,,CCSD(T)_ccpCVDZ,orca_CCSD(T)_ccpCVDZ,indep,,,,,,,,,,, -11932,986c3ce7e91a3d4fee5c237d0cee90aa,Cylobutadiene_transition_0.6,Cyclobutadiene,,,,-154.392862527395,,,CCSD(T)_ccpCVDZ,orca_CCSD(T)_ccpCVDZ,indep,,,,,,,,,,, -11934,d3f19e2a53c48d0787e7557d9753127b,Cyclobutadiene_1,Cyclobutadiene,,,,-154.397621653098,,,CCSD(T)_ccpCVDZ,orca_CCSD(T)_ccpCVDZ,indep,,,,,,,,,,, -11936,fa79a59bc7626ce475f4a567d11b6c89,Cylobutadiene_transition_0.4,Cyclobutadiene,,,,-154.387331569776,,,CCSD(T)_ccpCVDZ,orca_CCSD(T)_ccpCVDZ,indep,,,,,,,,,,, -11938,fcf4ca9c194041dfdda22159b5e6195c,Cylobutadiene_transition_0.8,Cyclobutadiene,,,,-154.396359867809,,,CCSD(T)_ccpCVDZ,orca_CCSD(T)_ccpCVDZ,indep,,,,,,,,,,, -11940,40a23fd7c82df9bb73c4ee7181712725,Cylobutadiene_transition_0.2,Cyclobutadiene,,,,-154.573771883481,,,CCSD(T)_ccpCVTZ,orca_CCSD(T)_ccpCVTZ,indep,,,,,,,,,,, -11942,510c19f6e48f0c0d80b9824d8182a98e,Cyclobutadiene_0,Cyclobutadiene,,,,-154.564543041401,,,CCSD(T)_ccpCVTZ,orca_CCSD(T)_ccpCVTZ,indep,,,,,,,,,,, -11944,986c3ce7e91a3d4fee5c237d0cee90aa,Cylobutadiene_transition_0.6,Cyclobutadiene,,,,-154.587717097234,,,CCSD(T)_ccpCVTZ,orca_CCSD(T)_ccpCVTZ,indep,,,,,,,,,,, -11946,d3f19e2a53c48d0787e7557d9753127b,Cyclobutadiene_1,Cyclobutadiene,,,,-154.593863259847,,,CCSD(T)_ccpCVTZ,orca_CCSD(T)_ccpCVTZ,indep,,,,,,,,,,, -11948,fa79a59bc7626ce475f4a567d11b6c89,Cylobutadiene_transition_0.4,Cyclobutadiene,,,,-154.581622240499,,,CCSD(T)_ccpCVTZ,orca_CCSD(T)_ccpCVTZ,indep,,,,,,,,,,, -11950,fcf4ca9c194041dfdda22159b5e6195c,Cylobutadiene_transition_0.8,Cyclobutadiene,,,,-154.591845097131,,,CCSD(T)_ccpCVTZ,orca_CCSD(T)_ccpCVTZ,indep,,,,,,,,,,, -11952,40a23fd7c82df9bb73c4ee7181712725,Cylobutadiene_transition_0.2,Cyclobutadiene,,,,-154.633042102023,,,CCSD(T)_ccpCVQZ,orca_CCSD(T)_ccpCVQZ,indep,,,,,,,,,,, -11954,510c19f6e48f0c0d80b9824d8182a98e,Cyclobutadiene_0,Cyclobutadiene,,,,-154.623632975529,,,CCSD(T)_ccpCVQZ,orca_CCSD(T)_ccpCVQZ,indep,,,,,,,,,,, -11956,986c3ce7e91a3d4fee5c237d0cee90aa,Cylobutadiene_transition_0.6,Cyclobutadiene,,,,-154.647152987055,,,CCSD(T)_ccpCVQZ,orca_CCSD(T)_ccpCVQZ,indep,,,,,,,,,,, -11958,d3f19e2a53c48d0787e7557d9753127b,Cyclobutadiene_1,Cyclobutadiene,,,,-154.653443592744,,,CCSD(T)_ccpCVQZ,orca_CCSD(T)_ccpCVQZ,indep,,,,,,,,,,, -11960,fa79a59bc7626ce475f4a567d11b6c89,Cylobutadiene_transition_0.4,Cyclobutadiene,,,,-154.64098884198,,,CCSD(T)_ccpCVQZ,orca_CCSD(T)_ccpCVQZ,indep,,,,,,,,,,, -11962,fcf4ca9c194041dfdda22159b5e6195c,Cylobutadiene_transition_0.8,Cyclobutadiene,,,,-154.651347873518,,,CCSD(T)_ccpCVQZ,orca_CCSD(T)_ccpCVQZ,indep,,,,,,,,,,, -11965,40a23fd7c82df9bb73c4ee7181712725,Cylobutadiene_transition_0.2,Cyclobutadiene,,,,-153.6733221952844,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -11969,510c19f6e48f0c0d80b9824d8182a98e,Cyclobutadiene_0,Cyclobutadiene,,,,-153.65862268772824,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -11973,986c3ce7e91a3d4fee5c237d0cee90aa,Cylobutadiene_transition_0.6,Cyclobutadiene,,,,-153.69509561385405,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -11977,d3f19e2a53c48d0787e7557d9753127b,Cyclobutadiene_1,Cyclobutadiene,,,,-153.70681602011223,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -11981,fa79a59bc7626ce475f4a567d11b6c89,Cylobutadiene_transition_0.4,Cyclobutadiene,,,,-153.68546767500868,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -11985,fcf4ca9c194041dfdda22159b5e6195c,Cylobutadiene_transition_0.8,Cyclobutadiene,,,,-153.70221769189556,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -11988,b2c66515e32b29b4d09cfa60705cd14c,C3H4_smiles_C=C=C_rot_dist_50,,20000.0,eval,0.0,-115.72796819,0.0001723138584082,,2023-05-08_psiformer_indep,psiformer_fork,indep,psiformer,,,,1.0,0.0,,4096.0,,, -11989,b2c66515e32b29b4d09cfa60705cd14c,C3H4_smiles_C=C=C_rot_dist_50,,20000.0,eval,1000.0,-116.412665861,2.083582226279101e-05,,2023-05-08_psiformer_indep,psiformer_fork,indep,psiformer,,,,1.0,1000.0,,4096.0,,, -11990,b2c66515e32b29b4d09cfa60705cd14c,C3H4_smiles_C=C=C_rot_dist_50,,20000.0,eval,4000.0,-116.562863105,1.0682323482481136e-05,,2023-05-08_psiformer_indep,psiformer_fork,indep,psiformer,,,,1.0,4000.0,,4096.0,,, -11991,b2c66515e32b29b4d09cfa60705cd14c,C3H4_smiles_C=C=C_rot_dist_50,,20000.0,eval,8000.0,-116.582082483,8.07374193091523e-06,,2023-05-08_psiformer_indep,psiformer_fork,indep,psiformer,,,,1.0,8000.0,,4096.0,,, -11992,b2c66515e32b29b4d09cfa60705cd14c,C3H4_smiles_C=C=C_rot_dist_50,,20000.0,eval,16000.0,-116.605835929,3.931832357500772e-06,,2023-05-08_psiformer_indep,psiformer_fork,indep,psiformer,,,,1.0,16000.0,,4096.0,,, -11993,b2c66515e32b29b4d09cfa60705cd14c,C3H4_smiles_C=C=C_rot_dist_50,,20000.0,eval,32000.0,-116.610675546,2.930625440687436e-06,,2023-05-08_psiformer_indep,psiformer_fork,indep,psiformer,,,,1.0,32000.0,,4096.0,,, -11994,3962fa508c318c990017beb42983662e,CN2H2_smiles_N=C=N_rot_dist_50,,20000.0,eval,0.0,-147.72279654000002,0.0001283626816028,,2023-05-08_psiformer_indep,psiformer_fork,indep,psiformer,,,,1.0,0.0,,4096.0,,, -11995,3962fa508c318c990017beb42983662e,CN2H2_smiles_N=C=N_rot_dist_50,,20000.0,eval,1000.0,-148.48702853,2.335012545939568e-05,,2023-05-08_psiformer_indep,psiformer_fork,indep,psiformer,,,,1.0,1000.0,,4096.0,,, -11996,3962fa508c318c990017beb42983662e,CN2H2_smiles_N=C=N_rot_dist_50,,20000.0,eval,4000.0,-148.61639164000002,1.3812701982671864e-05,,2023-05-08_psiformer_indep,psiformer_fork,indep,psiformer,,,,1.0,4000.0,,4096.0,,, -11997,3962fa508c318c990017beb42983662e,CN2H2_smiles_N=C=N_rot_dist_50,,20000.0,eval,8000.0,-148.64478418999997,1.0261386591073312e-05,,2023-05-08_psiformer_indep,psiformer_fork,indep,psiformer,,,,1.0,8000.0,,4096.0,,, -11998,3962fa508c318c990017beb42983662e,CN2H2_smiles_N=C=N_rot_dist_50,,20000.0,eval,16000.0,-148.67224364,4.838936523384494e-06,,2023-05-08_psiformer_indep,psiformer_fork,indep,psiformer,,,,1.0,16000.0,,4096.0,,, -11999,3962fa508c318c990017beb42983662e,CN2H2_smiles_N=C=N_rot_dist_50,,20000.0,eval,32000.0,-148.67855069,3.542689374455761e-06,,2023-05-08_psiformer_indep,psiformer_fork,indep,psiformer,,,,1.0,32000.0,,4096.0,,, -12000,151258110b9bc0d82cc4522c7978695a,CNOH_smiles_N=C=O_rot_dist_50,,20000.0,eval,0.0,-167.48464135,0.0001661563421832,,2023-05-08_psiformer_indep,psiformer_fork,indep,psiformer,,,,1.0,0.0,,4096.0,,, -12001,151258110b9bc0d82cc4522c7978695a,CNOH_smiles_N=C=O_rot_dist_50,,20000.0,eval,1000.0,-168.42085252,2.8693800495531343e-05,,2023-05-08_psiformer_indep,psiformer_fork,indep,psiformer,,,,1.0,1000.0,,4096.0,,, -12002,151258110b9bc0d82cc4522c7978695a,CNOH_smiles_N=C=O_rot_dist_50,,20000.0,eval,4000.0,-168.57261505000002,1.3382021448430947e-05,,2023-05-08_psiformer_indep,psiformer_fork,indep,psiformer,,,,1.0,4000.0,,4096.0,,, -12003,151258110b9bc0d82cc4522c7978695a,CNOH_smiles_N=C=O_rot_dist_50,,20000.0,eval,8000.0,-168.58330473,1.1170241549369682e-05,,2023-05-08_psiformer_indep,psiformer_fork,indep,psiformer,,,,1.0,8000.0,,4096.0,,, -12004,151258110b9bc0d82cc4522c7978695a,CNOH_smiles_N=C=O_rot_dist_50,,20000.0,eval,16000.0,-168.62461822999998,5.845705921985849e-06,,2023-05-08_psiformer_indep,psiformer_fork,indep,psiformer,,,,1.0,16000.0,,4096.0,,, -12005,151258110b9bc0d82cc4522c7978695a,CNOH_smiles_N=C=O_rot_dist_50,,20000.0,eval,32000.0,-168.63227593,3.88260104225199e-06,,2023-05-08_psiformer_indep,psiformer_fork,indep,psiformer,,,,1.0,32000.0,,4096.0,,, -12006,525c9db5e9b4210e071dfc9bfd66a9e4,CO2_smiles_O=C=O_rot_dist_50,,20000.0,eval,0.0,-187.22517852,0.0002147396444266,,2023-05-08_psiformer_indep,psiformer_fork,indep,psiformer,,,,1.0,0.0,,4096.0,,, -12007,525c9db5e9b4210e071dfc9bfd66a9e4,CO2_smiles_O=C=O_rot_dist_50,,20000.0,eval,1000.0,-188.34313728,2.456392112619915e-05,,2023-05-08_psiformer_indep,psiformer_fork,indep,psiformer,,,,1.0,1000.0,,4096.0,,, -12008,525c9db5e9b4210e071dfc9bfd66a9e4,CO2_smiles_O=C=O_rot_dist_50,,20000.0,eval,4000.0,-188.47553837,1.201271077146545e-05,,2023-05-08_psiformer_indep,psiformer_fork,indep,psiformer,,,,1.0,4000.0,,4096.0,,, 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-12192,c60abba813faf351a1a00e3b2c1aa2f9,O2H2_smiles_OO_rot_dist_51,O2H2,0.0,eval,4000.0,-151.53971090698244,0.0005658338754017,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/6enr9cnd,2023-05-01_699torsion_nc_by_std_256k,dpe,reuse,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,1.0,4000.0,,2048.0,,, -12193,f33305a20865d31702e143cfa50a4636,Kinal_Piecuch_Bicyclobutane_t-but,C4H6,0.0,eval,0.0,-155.92698205566407,0.0008411093633656,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/023h8b41,2023-05-01_699torsion_nc_by_std_256k,dpe,reuse,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,1.0,0.0,,2048.0,,, -12194,f33305a20865d31702e143cfa50a4636,Kinal_Piecuch_Bicyclobutane_t-but,C4H6,0.0,eval,1000.0,-155.96794506835937,0.0005165321264204,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/023h8b41,2023-05-01_699torsion_nc_by_std_256k,dpe,reuse,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,1.0,1000.0,,2048.0,,, -12195,f33305a20865d31702e143cfa50a4636,Kinal_Piecuch_Bicyclobutane_t-but,C4H6,0.0,eval,4000.0,-155.97469583129882,0.0004542216329082,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/023h8b41,2023-05-01_699torsion_nc_by_std_256k,dpe,reuse,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,1.0,4000.0,,2048.0,,, -12196,bfc8c4eb6f5a81071c3367f29c3a6eb8,Kinal_Piecuch_Bicyclobutane_con_TS,C4H6,0.0,eval,0.0,-155.8149541015625,0.0006493207949786,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/xof1k2mi,2023-05-01_699torsion_nc_by_std_256k,dpe,reuse,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,1.0,0.0,,2048.0,,, -12197,bfc8c4eb6f5a81071c3367f29c3a6eb8,Kinal_Piecuch_Bicyclobutane_con_TS,C4H6,0.0,eval,1000.0,-155.85522500610352,0.0005841591556423,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/xof1k2mi,2023-05-01_699torsion_nc_by_std_256k,dpe,reuse,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,1.0,1000.0,,2048.0,,, -12198,bfc8c4eb6f5a81071c3367f29c3a6eb8,Kinal_Piecuch_Bicyclobutane_con_TS,C4H6,0.0,eval,4000.0,-155.8617335510254,0.0004507565656771,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/xof1k2mi,2023-05-01_699torsion_nc_by_std_256k,dpe,reuse,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,1.0,4000.0,,2048.0,,, -12199,5b132a54986fbc4eff405d51c74a2cb2,Kinal_Piecuch_Bicyclobutane_bicbut,C4H6,0.0,eval,0.0,-155.90781271362306,0.0006383451078654,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/hj50uq2m,2023-05-01_699torsion_nc_by_std_256k,dpe,reuse,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,1.0,0.0,,2048.0,,, -12200,5b132a54986fbc4eff405d51c74a2cb2,Kinal_Piecuch_Bicyclobutane_bicbut,C4H6,0.0,eval,1000.0,-155.92738787841796,0.0005659848465524,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/hj50uq2m,2023-05-01_699torsion_nc_by_std_256k,dpe,reuse,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,1.0,1000.0,,2048.0,,, -12201,5b132a54986fbc4eff405d51c74a2cb2,Kinal_Piecuch_Bicyclobutane_bicbut,C4H6,0.0,eval,4000.0,-155.93227627563476,0.0004857942210087,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/hj50uq2m,2023-05-01_699torsion_nc_by_std_256k,dpe,reuse,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,1.0,4000.0,,2048.0,,, -12202,de99e0c9183b024b6e238dc3663cd255,Kinal_Piecuch_Bicyclobutane_g-but,C4H6,0.0,eval,0.0,-155.95718811035155,0.0005701378845686,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/a35xpqq9,2023-05-01_699torsion_nc_by_std_256k,dpe,reuse,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,1.0,0.0,,2048.0,,, -12203,de99e0c9183b024b6e238dc3663cd255,Kinal_Piecuch_Bicyclobutane_g-but,C4H6,0.0,eval,1000.0,-155.96542590332032,0.0004766370590387,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/a35xpqq9,2023-05-01_699torsion_nc_by_std_256k,dpe,reuse,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,1.0,1000.0,,2048.0,,, -12204,de99e0c9183b024b6e238dc3663cd255,Kinal_Piecuch_Bicyclobutane_g-but,C4H6,0.0,eval,4000.0,-155.9685359802246,0.0004853209121877,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/a35xpqq9,2023-05-01_699torsion_nc_by_std_256k,dpe,reuse,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,1.0,4000.0,,2048.0,,, -12205,1a72bfed9ede7fb53348e83bf38ab433,Kinal_Piecuch_Bicyclobutane_gt-TS,C4H6,0.0,eval,0.0,-155.95169192504883,0.0006164205784259,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/c43gvqdc,2023-05-01_699torsion_nc_by_std_256k,dpe,reuse,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,1.0,0.0,,2048.0,,, -12206,1a72bfed9ede7fb53348e83bf38ab433,Kinal_Piecuch_Bicyclobutane_gt-TS,C4H6,0.0,eval,1000.0,-155.96220919799805,0.0004676267681836,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/c43gvqdc,2023-05-01_699torsion_nc_by_std_256k,dpe,reuse,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,1.0,1000.0,,2048.0,,, -12207,1a72bfed9ede7fb53348e83bf38ab433,Kinal_Piecuch_Bicyclobutane_gt-TS,C4H6,0.0,eval,4000.0,-155.9645181274414,0.0004476264017033,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/c43gvqdc,2023-05-01_699torsion_nc_by_std_256k,dpe,reuse,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,1.0,4000.0,,2048.0,,, -12208,1f63b74037d2198e479b50daa51e4746,CNH3_smiles_C=N_rot_dist_51,CNH3,0.0,eval,0.0,-94.55382104492188,0.0004378202792032,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/4cpm9yq5,2023-05-01_699torsion_nc_by_std_256k,dpe,reuse,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,1.0,0.0,,2048.0,,, -12209,1f63b74037d2198e479b50daa51e4746,CNH3_smiles_C=N_rot_dist_51,CNH3,0.0,eval,1000.0,-94.56222789001464,0.0003612773773351,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/4cpm9yq5,2023-05-01_699torsion_nc_by_std_256k,dpe,reuse,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,1.0,1000.0,,2048.0,,, -12210,1f63b74037d2198e479b50daa51e4746,CNH3_smiles_C=N_rot_dist_51,CNH3,0.0,eval,4000.0,-94.56444270324708,0.0003645820740481,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/4cpm9yq5,2023-05-01_699torsion_nc_by_std_256k,dpe,reuse,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,1.0,4000.0,,2048.0,,, -12211,284a5a67016310089d8ae6b46f4769c2,COH4_smiles_CO_rot_dist_51,COH4,0.0,eval,0.0,-115.67804943847656,0.0005549154644684,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/cbccoaug,2023-05-01_699torsion_nc_by_std_256k,dpe,reuse,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,1.0,0.0,,2048.0,,, -12212,284a5a67016310089d8ae6b46f4769c2,COH4_smiles_CO_rot_dist_51,COH4,0.0,eval,1000.0,-115.68367358398436,0.0004145216022686,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/cbccoaug,2023-05-01_699torsion_nc_by_std_256k,dpe,reuse,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,1.0,1000.0,,2048.0,,, -12213,284a5a67016310089d8ae6b46f4769c2,COH4_smiles_CO_rot_dist_51,COH4,0.0,eval,4000.0,-115.6843133392334,0.0003847822172555,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/cbccoaug,2023-05-01_699torsion_nc_by_std_256k,dpe,reuse,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,1.0,4000.0,,2048.0,,, -12214,5f0353ecdc69552e42777b0c93328056,NOH3_smiles_NO_rot_dist_51,NOH3,0.0,eval,0.0,-131.58610708618164,0.00063770312623,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/h0x3w3y2,2023-05-01_699torsion_nc_by_std_256k,dpe,reuse,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,1.0,0.0,,2048.0,,, -12215,5f0353ecdc69552e42777b0c93328056,NOH3_smiles_NO_rot_dist_51,NOH3,0.0,eval,1000.0,-131.59524850463868,0.0004801269239726,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/h0x3w3y2,2023-05-01_699torsion_nc_by_std_256k,dpe,reuse,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,1.0,1000.0,,2048.0,,, -12216,5f0353ecdc69552e42777b0c93328056,NOH3_smiles_NO_rot_dist_51,NOH3,0.0,eval,4000.0,-131.59801586914062,0.0004405209650665,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/h0x3w3y2,2023-05-01_699torsion_nc_by_std_256k,dpe,reuse,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,1.0,4000.0,,2048.0,,, -12235,188b76839c9009952e9cb9509297474a,C3H4_dist_rotated_342deg,C3H4,0.0,eval,1000.0,-116.60302450561524,0.00039287228998,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/l409hgac,2023-05-01_699torsion_nc_by_std_256k_failure_cases,dpe,reuseshared,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,6.0,55.0,,2048.0,,, -12236,188b76839c9009952e9cb9509297474a,C3H4_dist_rotated_342deg,C3H4,0.0,eval,4000.0,-116.6024199371338,0.0003720374632593,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/l409hgac,2023-05-01_699torsion_nc_by_std_256k_failure_cases,dpe,reuseshared,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,6.0,221.0,,2048.0,,, -12237,5f1e79a4072e0954610a5d45794ec2b0,C3H4_dist_rotated_324deg,C3H4,0.0,eval,1000.0,-116.60102531433104,0.0003684320596784,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/ribkvn58,2023-05-01_699torsion_nc_by_std_256k_failure_cases,dpe,reuseshared,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,6.0,48.0,,2048.0,,, -12238,5f1e79a4072e0954610a5d45794ec2b0,C3H4_dist_rotated_324deg,C3H4,0.0,eval,4000.0,-116.60269911193848,0.0004013726370846,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/ribkvn58,2023-05-01_699torsion_nc_by_std_256k_failure_cases,dpe,reuseshared,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,6.0,188.0,,2048.0,,, -12239,a382c20cc7ed69b10c0f9115cef53dab,C3H4_dist_rotated_306deg,C3H4,0.0,eval,4000.0,-116.6028543701172,0.0003736422360992,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/de5nicyu,2023-05-01_699torsion_nc_by_std_256k_failure_cases,dpe,reuseshared,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,6.0,186.0,,2048.0,,, -12240,a2595e91062f5391ad510853a57623d2,C3H4_dist_rotated_288deg,C3H4,0.0,eval,4000.0,-116.6039253692627,0.0003751227182338,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/ib5bvkb8,2023-05-01_699torsion_nc_by_std_256k_failure_cases,dpe,reuseshared,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,6.0,194.0,,2048.0,,, -12241,6672eeb1d4c48d0d5240b6fb926c77ba,C3H4_dist_rotated_270deg,C3H4,0.0,eval,4000.0,-116.60409199523926,0.0003733807487558,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/ug2y9ddd,2023-05-01_699torsion_nc_by_std_256k_failure_cases,dpe,reuseshared,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,6.0,197.0,,2048.0,,, -12242,ce27afc50eaea9f9aa1eff2cc1b5783f,C3H4_dist_rotated_252deg,C3H4,0.0,eval,4000.0,-116.6036361694336,0.0003417337965661,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/nmebd6h5,2023-05-01_699torsion_nc_by_std_256k_failure_cases,dpe,reuseshared,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,6.0,199.0,,2048.0,,, -12243,15f293e7478227139dee41395fa4e04c,C3H4_dist_rotated_234deg,C3H4,0.0,eval,4000.0,-116.60338586425782,0.0003932162017095,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/i0thqgp1,2023-05-01_699torsion_nc_by_std_256k_failure_cases,dpe,reuseshared,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,6.0,187.0,,2048.0,,, 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-12326,d3f19e2a53c48d0787e7557d9753127b,Cyclobutadiene_1,Cyclobutadiene,0.0,eval,1000.0,-154.65441213989257,0.0005611581472854,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/trsot2i2,2023-05-01_699torsion_nc_by_std_256k_failure_cases,dpe,reuseshared,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,6.0,166.0,,2048.0,,, -12327,d3f19e2a53c48d0787e7557d9753127b,Cyclobutadiene_1,Cyclobutadiene,0.0,eval,4000.0,-154.66116738891603,0.0004892389000894,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/trsot2i2,2023-05-01_699torsion_nc_by_std_256k_failure_cases,dpe,reuseshared,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,6.0,648.0,,2048.0,,, -12328,fcf4ca9c194041dfdda22159b5e6195c,Cylobutadiene_transition_0.8,Cyclobutadiene,0.0,eval,0.0,-154.63037927246094,0.000596545691633,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/iqk9gc64,2023-05-01_699torsion_nc_by_std_256k_failure_cases,dpe,reuseshared,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,6.0,0.0,,2048.0,,, -12329,fcf4ca9c194041dfdda22159b5e6195c,Cylobutadiene_transition_0.8,Cyclobutadiene,0.0,eval,1000.0,-154.65219769287108,0.0005731547615605,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/iqk9gc64,2023-05-01_699torsion_nc_by_std_256k_failure_cases,dpe,reuseshared,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,6.0,160.0,,2048.0,,, -12330,fcf4ca9c194041dfdda22159b5e6195c,Cylobutadiene_transition_0.8,Cyclobutadiene,0.0,eval,4000.0,-154.65805215454102,0.0004925250316925,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/iqk9gc64,2023-05-01_699torsion_nc_by_std_256k_failure_cases,dpe,reuseshared,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,6.0,627.0,,2048.0,,, -12331,986c3ce7e91a3d4fee5c237d0cee90aa,Cylobutadiene_transition_0.6,Cyclobutadiene,0.0,eval,0.0,-154.62110147094725,0.000618869450584,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/avn0fnyb,2023-05-01_699torsion_nc_by_std_256k_failure_cases,dpe,reuseshared,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,6.0,0.0,,2048.0,,, -12332,986c3ce7e91a3d4fee5c237d0cee90aa,Cylobutadiene_transition_0.6,Cyclobutadiene,0.0,eval,1000.0,-154.64520196533203,0.0005995059724362,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/avn0fnyb,2023-05-01_699torsion_nc_by_std_256k_failure_cases,dpe,reuseshared,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,6.0,151.0,,2048.0,,, -12333,986c3ce7e91a3d4fee5c237d0cee90aa,Cylobutadiene_transition_0.6,Cyclobutadiene,0.0,eval,4000.0,-154.65304501342774,0.0004646220400933,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/avn0fnyb,2023-05-01_699torsion_nc_by_std_256k_failure_cases,dpe,reuseshared,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,6.0,622.0,,2048.0,,, -12334,fa79a59bc7626ce475f4a567d11b6c89,Cylobutadiene_transition_0.4,Cyclobutadiene,0.0,eval,0.0,-154.61472360229493,0.0006517877569727,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/h69jkg8o,2023-05-01_699torsion_nc_by_std_256k_failure_cases,dpe,reuseshared,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,6.0,0.0,,2048.0,,, -12335,fa79a59bc7626ce475f4a567d11b6c89,Cylobutadiene_transition_0.4,Cyclobutadiene,0.0,eval,1000.0,-154.63749374389647,0.0005602499119993,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/h69jkg8o,2023-05-01_699torsion_nc_by_std_256k_failure_cases,dpe,reuseshared,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,6.0,159.0,,2048.0,,, -12336,fa79a59bc7626ce475f4a567d11b6c89,Cylobutadiene_transition_0.4,Cyclobutadiene,0.0,eval,4000.0,-154.64435220336915,0.0005002321970934,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/h69jkg8o,2023-05-01_699torsion_nc_by_std_256k_failure_cases,dpe,reuseshared,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,6.0,618.0,,2048.0,,, -12337,40a23fd7c82df9bb73c4ee7181712725,Cylobutadiene_transition_0.2,Cyclobutadiene,0.0,eval,0.0,-154.6006092529297,0.000649757798088,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/4jd9gkhe,2023-05-01_699torsion_nc_by_std_256k_failure_cases,dpe,reuseshared,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,6.0,0.0,,2048.0,,, -12338,40a23fd7c82df9bb73c4ee7181712725,Cylobutadiene_transition_0.2,Cyclobutadiene,0.0,eval,1000.0,-154.62623345947264,0.0005703701605389,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/4jd9gkhe,2023-05-01_699torsion_nc_by_std_256k_failure_cases,dpe,reuseshared,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,6.0,166.0,,2048.0,,, -12339,40a23fd7c82df9bb73c4ee7181712725,Cylobutadiene_transition_0.2,Cyclobutadiene,0.0,eval,4000.0,-154.63337286376952,0.000494807021966,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/4jd9gkhe,2023-05-01_699torsion_nc_by_std_256k_failure_cases,dpe,reuseshared,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,6.0,699.0,,2048.0,,, -12340,510c19f6e48f0c0d80b9824d8182a98e,Cyclobutadiene_0,Cyclobutadiene,0.0,eval,0.0,-154.5882234802246,0.0006333249187516,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/x5s2rn3o,2023-05-01_699torsion_nc_by_std_256k_failure_cases,dpe,reuseshared,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,6.0,0.0,,2048.0,,, -12341,510c19f6e48f0c0d80b9824d8182a98e,Cyclobutadiene_0,Cyclobutadiene,0.0,eval,1000.0,-154.61267373657228,0.0006193006649381,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/x5s2rn3o,2023-05-01_699torsion_nc_by_std_256k_failure_cases,dpe,reuseshared,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,6.0,198.0,,2048.0,,, -12342,510c19f6e48f0c0d80b9824d8182a98e,Cyclobutadiene_0,Cyclobutadiene,0.0,eval,4000.0,-154.6184094848633,0.0005102016882866,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/x5s2rn3o,2023-05-01_699torsion_nc_by_std_256k_failure_cases,dpe,reuseshared,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,6.0,786.0,,2048.0,,, -12343,3a17366a48a9aca08510bb594f482d3d,N2_d=5.338372,N2,0.0,eval,0.0,-108.85538046264648,0.0010377376166258,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/zzkxtwiu,2023-05-01_699torsion_nc_by_std_256k_failure_cases,dpe,reuseshared,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,6.0,0.0,,2048.0,,, -12344,3a17366a48a9aca08510bb594f482d3d,N2_d=5.338372,N2,0.0,eval,1000.0,-109.1220058746338,0.0011681447137315,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/zzkxtwiu,2023-05-01_699torsion_nc_by_std_256k_failure_cases,dpe,reuseshared,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,6.0,141.0,,2048.0,,, -12345,3a17366a48a9aca08510bb594f482d3d,N2_d=5.338372,N2,0.0,eval,4000.0,-109.1602658843994,0.0006687208952246,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/zzkxtwiu,2023-05-01_699torsion_nc_by_std_256k_failure_cases,dpe,reuseshared,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,6.0,578.0,,2048.0,,, -12346,8a5bce13c2d2561584f0555461586d34,N2_d=4.804535,N2,0.0,eval,0.0,-108.9931463470459,0.0010980091674277,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/csxl4wpa,2023-05-01_699torsion_nc_by_std_256k_failure_cases,dpe,reuseshared,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,6.0,0.0,,2048.0,,, -12347,8a5bce13c2d2561584f0555461586d34,N2_d=4.804535,N2,0.0,eval,1000.0,-109.14321675109863,0.0012081773886564,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/csxl4wpa,2023-05-01_699torsion_nc_by_std_256k_failure_cases,dpe,reuseshared,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,6.0,125.0,,2048.0,,, -12348,8a5bce13c2d2561584f0555461586d34,N2_d=4.804535,N2,0.0,eval,4000.0,-109.1682979888916,0.0006222659322841,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/csxl4wpa,2023-05-01_699torsion_nc_by_std_256k_failure_cases,dpe,reuseshared,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,6.0,474.0,,2048.0,,, -12349,1a84884a67753cf3b52adb8e416233ff,N2_d=4.270698,N2,0.0,eval,0.0,-108.89652490234376,0.001398155434306,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/pi1zo9yb,2023-05-01_699torsion_nc_by_std_256k_failure_cases,dpe,reuseshared,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,6.0,0.0,,2048.0,,, -12350,1a84884a67753cf3b52adb8e416233ff,N2_d=4.270698,N2,0.0,eval,1000.0,-109.15195010375976,0.0009739923225217,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/pi1zo9yb,2023-05-01_699torsion_nc_by_std_256k_failure_cases,dpe,reuseshared,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,6.0,155.0,,2048.0,,, -12351,1a84884a67753cf3b52adb8e416233ff,N2_d=4.270698,N2,0.0,eval,4000.0,-109.17115628051758,0.0006271036458318,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/pi1zo9yb,2023-05-01_699torsion_nc_by_std_256k_failure_cases,dpe,reuseshared,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,6.0,448.0,,2048.0,,, -12352,a23dd23efc13be0aba02a9e351c39193,molecules_file_N2_bond_breaking_N2,N2,0.0,eval,0.0,-108.86939401245117,0.0009719751296495,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/o2a07yl2,2023-05-01_699torsion_nc_by_std_256k_failure_cases,dpe,reuseshared,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,6.0,0.0,,2048.0,,, -12353,a23dd23efc13be0aba02a9e351c39193,molecules_file_N2_bond_breaking_N2,N2,0.0,eval,1000.0,-109.085756149292,0.0010403377988811,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/o2a07yl2,2023-05-01_699torsion_nc_by_std_256k_failure_cases,dpe,reuseshared,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,6.0,96.0,,2048.0,,, -12354,a23dd23efc13be0aba02a9e351c39193,molecules_file_N2_bond_breaking_N2,N2,0.0,eval,4000.0,-109.17604444885254,0.0006420618052938,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/o2a07yl2,2023-05-01_699torsion_nc_by_std_256k_failure_cases,dpe,reuseshared,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,6.0,445.0,,2048.0,,, -12355,83651734ef634617d3cdd65f56213360,N2_d=3.736861,N2,0.0,eval,0.0,-109.11634526062012,0.0012756012164164,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/i9m3y5nn,2023-05-01_699torsion_nc_by_std_256k_failure_cases,dpe,reuseshared,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,6.0,0.0,,2048.0,,, -12356,83651734ef634617d3cdd65f56213360,N2_d=3.736861,N2,0.0,eval,1000.0,-109.17380735778808,0.0008630905472531,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/i9m3y5nn,2023-05-01_699torsion_nc_by_std_256k_failure_cases,dpe,reuseshared,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,6.0,80.0,,2048.0,,, -12357,83651734ef634617d3cdd65f56213360,N2_d=3.736861,N2,0.0,eval,4000.0,-109.19014558410645,0.0006195186551245,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/i9m3y5nn,2023-05-01_699torsion_nc_by_std_256k_failure_cases,dpe,reuseshared,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,6.0,344.0,,2048.0,,, 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-12402,de99e0c9183b024b6e238dc3663cd255,Kinal_Piecuch_Bicyclobutane_g-but,C4H6,0.0,eval,0.0,-135.08600207519532,0.0215996508885757,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/v49gkgij,2023-02-26_18x20_500karxiv_v10_500k,dpe,reuse,dpe4,gao_4fd,18x20_v10_500k,500000.0,1.0,0.0,,2048.0,,, -12403,de99e0c9183b024b6e238dc3663cd255,Kinal_Piecuch_Bicyclobutane_g-but,C4H6,0.0,eval,1000.0,-155.8753048095703,0.0014159432385167,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/v49gkgij,2023-02-26_18x20_500karxiv_v10_500k,dpe,reuse,dpe4,gao_4fd,18x20_v10_500k,500000.0,1.0,1000.0,,2048.0,,, -12404,f7325f260df07648ed7d74f74d46c631,Kinal_Piecuch_Bicyclobutane_dis_TS,C4H6,0.0,eval,0.0,-135.8783794555664,0.0207724081368181,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/rg2e2mq4,2023-02-26_18x20_500karxiv_v10_500k,dpe,reuse,dpe4,gao_4fd,18x20_v10_500k,500000.0,1.0,0.0,,2048.0,,, -12405,f7325f260df07648ed7d74f74d46c631,Kinal_Piecuch_Bicyclobutane_dis_TS,C4H6,0.0,eval,1000.0,-155.73510537719727,0.0016069403584255,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/rg2e2mq4,2023-02-26_18x20_500karxiv_v10_500k,dpe,reuse,dpe4,gao_4fd,18x20_v10_500k,500000.0,1.0,1000.0,,2048.0,,, -12406,53529979e1ac7c801a86a8f915aa183f,QM7_5heavyatoms_C4OH8_dist,C4OH8,0.0,eval,0.0,-205.2287846374512,0.0269428856650501,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/l17inz9q,2023-02-26_18x20_500karxiv_v10_500k,dpe,reuse,dpe4,gao_4fd,18x20_v10_500k,500000.0,1.0,0.0,,2048.0,,, -12407,53529979e1ac7c801a86a8f915aa183f,QM7_5heavyatoms_C4OH8_dist,C4OH8,0.0,eval,1000.0,-231.86368911743165,0.0038323437717563,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/l17inz9q,2023-02-26_18x20_500karxiv_v10_500k,dpe,reuse,dpe4,gao_4fd,18x20_v10_500k,500000.0,1.0,1000.0,,2048.0,,, -12408,53529979e1ac7c801a86a8f915aa183f,QM7_5heavyatoms_C4OH8_dist,C4OH8,0.0,eval,4000.0,-232.0661596374512,0.0023023097893889,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/l17inz9q,2023-02-26_18x20_500karxiv_v10_500k,dpe,reuse,dpe4,gao_4fd,18x20_v10_500k,500000.0,1.0,4000.0,,2048.0,,, -12409,d2637ccf9b84a9a78cb35c144dff4ca0,QM7_5heavyatoms_C4NH5_dist,C4NH5,0.0,eval,0.0,-184.88831286621087,0.0261656547558128,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/eskilvyc,2023-02-26_18x20_500karxiv_v10_500k,dpe,reuse,dpe4,gao_4fd,18x20_v10_500k,500000.0,1.0,0.0,,2048.0,,, -12410,d2637ccf9b84a9a78cb35c144dff4ca0,QM7_5heavyatoms_C4NH5_dist,C4NH5,0.0,eval,1000.0,-209.75086517333983,0.0041102867861143,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/eskilvyc,2023-02-26_18x20_500karxiv_v10_500k,dpe,reuse,dpe4,gao_4fd,18x20_v10_500k,500000.0,1.0,1000.0,,2048.0,,, -12411,d2637ccf9b84a9a78cb35c144dff4ca0,QM7_5heavyatoms_C4NH5_dist,C4NH5,0.0,eval,4000.0,-209.9266946105957,0.0017950639120916,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/eskilvyc,2023-02-26_18x20_500karxiv_v10_500k,dpe,reuse,dpe4,gao_4fd,18x20_v10_500k,500000.0,1.0,4000.0,,2048.0,,, -12412,92f2db443c52b1ba81333b5528830e1d,QM7_5heavyatoms_C5H8_dist,C5H8,0.0,eval,0.0,-174.23364556884766,0.0252353678256808,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/ld96xnv4,2023-02-26_18x20_500karxiv_v10_500k,dpe,reuse,dpe4,gao_4fd,18x20_v10_500k,500000.0,1.0,0.0,,2048.0,,, -12413,92f2db443c52b1ba81333b5528830e1d,QM7_5heavyatoms_C5H8_dist,C5H8,0.0,eval,1000.0,-194.9696897583008,0.0028352530593918,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/ld96xnv4,2023-02-26_18x20_500karxiv_v10_500k,dpe,reuse,dpe4,gao_4fd,18x20_v10_500k,500000.0,1.0,1000.0,,2048.0,,, -12414,92f2db443c52b1ba81333b5528830e1d,QM7_5heavyatoms_C5H8_dist,C5H8,0.0,eval,4000.0,-195.1534340209961,0.0014362737644341,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/ld96xnv4,2023-02-26_18x20_500karxiv_v10_500k,dpe,reuse,dpe4,gao_4fd,18x20_v10_500k,500000.0,1.0,4000.0,,2048.0,,, -12415,74320cf4c0799080ae336b852cda4a65,QM7_5heavyatoms_C4OH6_dist,C4OH6,0.0,eval,0.0,-195.3289502868652,0.0315483868475044,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/3lcj2gqg,2023-02-26_18x20_500karxiv_v10_500k,dpe,reuse,dpe4,gao_4fd,18x20_v10_500k,500000.0,1.0,0.0,,2048.0,,, -12416,74320cf4c0799080ae336b852cda4a65,QM7_5heavyatoms_C4OH6_dist,C4OH6,0.0,eval,1000.0,-230.69469213867188,0.0040292315705277,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/3lcj2gqg,2023-02-26_18x20_500karxiv_v10_500k,dpe,reuse,dpe4,gao_4fd,18x20_v10_500k,500000.0,1.0,1000.0,,2048.0,,, -12417,74320cf4c0799080ae336b852cda4a65,QM7_5heavyatoms_C4OH6_dist,C4OH6,0.0,eval,4000.0,-230.9382018737793,0.0018496701893677,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/3lcj2gqg,2023-02-26_18x20_500karxiv_v10_500k,dpe,reuse,dpe4,gao_4fd,18x20_v10_500k,500000.0,1.0,4000.0,,2048.0,,, -12418,bfc8c4eb6f5a81071c3367f29c3a6eb8,Kinal_Piecuch_Bicyclobutane_con_TS,C4H6,0.0,eval,0.0,-132.91290338134766,0.0228429836218787,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/84329zon,2023-02-26_18x20_500karxiv_v10_500k,dpe,reuse,dpe4,gao_4fd,18x20_v10_500k,500000.0,1.0,0.0,,2048.0,,, -12419,bfc8c4eb6f5a81071c3367f29c3a6eb8,Kinal_Piecuch_Bicyclobutane_con_TS,C4H6,0.0,eval,1000.0,-155.74620977783204,0.0015052239508492,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/84329zon,2023-02-26_18x20_500karxiv_v10_500k,dpe,reuse,dpe4,gao_4fd,18x20_v10_500k,500000.0,1.0,1000.0,,2048.0,,, -12420,bfc8c4eb6f5a81071c3367f29c3a6eb8,Kinal_Piecuch_Bicyclobutane_con_TS,C4H6,0.0,eval,4000.0,-155.81413177490234,0.0010086632796026,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/84329zon,2023-02-26_18x20_500karxiv_v10_500k,dpe,reuse,dpe4,gao_4fd,18x20_v10_500k,500000.0,1.0,4000.0,,2048.0,,, -12421,5b132a54986fbc4eff405d51c74a2cb2,Kinal_Piecuch_Bicyclobutane_bicbut,C4H6,0.0,eval,0.0,-135.14505575561523,0.0217700857259876,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/1758vok1,2023-02-26_18x20_500karxiv_v10_500k,dpe,reuse,dpe4,gao_4fd,18x20_v10_500k,500000.0,1.0,0.0,,2048.0,,, -12422,5b132a54986fbc4eff405d51c74a2cb2,Kinal_Piecuch_Bicyclobutane_bicbut,C4H6,0.0,eval,1000.0,-155.82107470703124,0.0023186341114979,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/1758vok1,2023-02-26_18x20_500karxiv_v10_500k,dpe,reuse,dpe4,gao_4fd,18x20_v10_500k,500000.0,1.0,1000.0,,2048.0,,, -12423,5b132a54986fbc4eff405d51c74a2cb2,Kinal_Piecuch_Bicyclobutane_bicbut,C4H6,0.0,eval,4000.0,-155.89761181640625,0.0014884173569206,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/1758vok1,2023-02-26_18x20_500karxiv_v10_500k,dpe,reuse,dpe4,gao_4fd,18x20_v10_500k,500000.0,1.0,4000.0,,2048.0,,, -12424,1f63b74037d2198e479b50daa51e4746,CNH3_smiles_C=N_rot_dist_51,CNH3,0.0,eval,0.0,-94.5550968322754,0.0004719859193015,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/czk6ztki,2023-02-26_18x20_500karxiv_v10_500k,dpe,reuse,dpe4,gao_4fd,18x20_v10_500k,500000.0,1.0,0.0,,2048.0,,, -12425,1f63b74037d2198e479b50daa51e4746,CNH3_smiles_C=N_rot_dist_51,CNH3,0.0,eval,1000.0,-94.55707858276368,0.0005800660783932,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/czk6ztki,2023-02-26_18x20_500karxiv_v10_500k,dpe,reuse,dpe4,gao_4fd,18x20_v10_500k,500000.0,1.0,1000.0,,2048.0,,, -12426,1f63b74037d2198e479b50daa51e4746,CNH3_smiles_C=N_rot_dist_51,CNH3,0.0,eval,4000.0,-94.56085763549804,0.0004231204456792,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/czk6ztki,2023-02-26_18x20_500karxiv_v10_500k,dpe,reuse,dpe4,gao_4fd,18x20_v10_500k,500000.0,1.0,4000.0,,2048.0,,, -12427,c60abba813faf351a1a00e3b2c1aa2f9,O2H2_smiles_OO_rot_dist_51,O2H2,0.0,eval,0.0,-151.53222912597656,0.0008819674649839,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/j78igqrr,2023-02-26_18x20_500karxiv_v10_500k,dpe,reuse,dpe4,gao_4fd,18x20_v10_500k,500000.0,1.0,0.0,,2048.0,,, -12428,c60abba813faf351a1a00e3b2c1aa2f9,O2H2_smiles_OO_rot_dist_51,O2H2,0.0,eval,1000.0,-151.53263677978515,0.0009950965945066,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/j78igqrr,2023-02-26_18x20_500karxiv_v10_500k,dpe,reuse,dpe4,gao_4fd,18x20_v10_500k,500000.0,1.0,1000.0,,2048.0,,, -12429,c60abba813faf351a1a00e3b2c1aa2f9,O2H2_smiles_OO_rot_dist_51,O2H2,0.0,eval,4000.0,-151.538814453125,0.0008580872582677,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/j78igqrr,2023-02-26_18x20_500karxiv_v10_500k,dpe,reuse,dpe4,gao_4fd,18x20_v10_500k,500000.0,1.0,4000.0,,2048.0,,, -12430,284a5a67016310089d8ae6b46f4769c2,COH4_smiles_CO_rot_dist_51,COH4,0.0,eval,0.0,-115.677872467041,0.0006143759943935,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/n5wtybn6,2023-02-26_18x20_500karxiv_v10_500k,dpe,reuse,dpe4,gao_4fd,18x20_v10_500k,500000.0,1.0,0.0,,2048.0,,, -12431,284a5a67016310089d8ae6b46f4769c2,COH4_smiles_CO_rot_dist_51,COH4,0.0,eval,1000.0,-115.67975607299805,0.0005502451615117,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/n5wtybn6,2023-02-26_18x20_500karxiv_v10_500k,dpe,reuse,dpe4,gao_4fd,18x20_v10_500k,500000.0,1.0,1000.0,,2048.0,,, -12432,284a5a67016310089d8ae6b46f4769c2,COH4_smiles_CO_rot_dist_51,COH4,0.0,eval,4000.0,-115.6808881072998,0.0004950980590999,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/n5wtybn6,2023-02-26_18x20_500karxiv_v10_500k,dpe,reuse,dpe4,gao_4fd,18x20_v10_500k,500000.0,1.0,4000.0,,2048.0,,, -12433,151258110b9bc0d82cc4522c7978695a,CNOH_smiles_N=C=O_rot_dist_50,CNOH,0.0,eval,0.0,-153.22044485473631,0.0224773890462629,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/ypnmytc9,2023-02-26_18x20_500karxiv_v10_500k,dpe,reuse,dpe4,gao_4fd,18x20_v10_500k,500000.0,1.0,0.0,,2048.0,,, -12434,151258110b9bc0d82cc4522c7978695a,CNOH_smiles_N=C=O_rot_dist_50,CNOH,0.0,eval,1000.0,-168.59936337280274,0.0012655406792677,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/ypnmytc9,2023-02-26_18x20_500karxiv_v10_500k,dpe,reuse,dpe4,gao_4fd,18x20_v10_500k,500000.0,1.0,1000.0,,2048.0,,, 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-12536,66fbb0e865f6422bec7ffbe83806a027,NOH3_smiles_NO_rot_dist_0,NOH3,,,,-131.648948813632,,,CCSD(T)_ccpCVTZ,orca_CCSD(T)_ccpCVTZ,indep,,,,,,,,,,, -12538,c52368cd4b9737a41353c97dec7ef661,O2H2_smiles_OO_rot_dist_0,O2H2,,,,-151.472487738822,,,CCSD(T)_ccpCVTZ,orca_CCSD(T)_ccpCVTZ,indep,,,,,,,,,,, -12540,c60abba813faf351a1a00e3b2c1aa2f9,O2H2_smiles_OO_rot_dist_51,O2H2,,,,-151.463427350811,,,CCSD(T)_ccpCVTZ,orca_CCSD(T)_ccpCVTZ,indep,,,,,,,,,,, -12542,f5c0d90470e0a5c9b49b30639e2f3f10,COH4_smiles_CO_rot_dist_0,COH4,,,,-115.658163465046,,,CCSD(T)_ccpCVTZ,orca_CCSD(T)_ccpCVTZ,indep,,,,,,,,,,, -12544,1f63b74037d2198e479b50daa51e4746,CNH3_smiles_C=N_rot_dist_51,CNH3,,,,-94.55190751434,,,CCSD(T)_ccpCVQZ,orca_CCSD(T)_ccpCVQZ,indep,,,,,,,,,,, -12546,284a5a67016310089d8ae6b46f4769c2,COH4_smiles_CO_rot_dist_51,COH4,,,,-115.666948386497,,,CCSD(T)_ccpCVQZ,orca_CCSD(T)_ccpCVQZ,indep,,,,,,,,,,, -12548,59f2dc0870c065c2264cee80f880bdef,CNH3_smiles_C=N_rot_dist_0,CNH3,,,,-94.613094625763,,,CCSD(T)_ccpCVQZ,orca_CCSD(T)_ccpCVQZ,indep,,,,,,,,,,, -12550,5f0353ecdc69552e42777b0c93328056,NOH3_smiles_NO_rot_dist_51,NOH3,,,,-131.579315858308,,,CCSD(T)_ccpCVQZ,orca_CCSD(T)_ccpCVQZ,indep,,,,,,,,,,, -12552,66fbb0e865f6422bec7ffbe83806a027,NOH3_smiles_NO_rot_dist_0,NOH3,,,,-131.699710339887,,,CCSD(T)_ccpCVQZ,orca_CCSD(T)_ccpCVQZ,indep,,,,,,,,,,, -12554,c52368cd4b9737a41353c97dec7ef661,O2H2_smiles_OO_rot_dist_0,O2H2,,,,-151.528903142732,,,CCSD(T)_ccpCVQZ,orca_CCSD(T)_ccpCVQZ,indep,,,,,,,,,,, -12556,c60abba813faf351a1a00e3b2c1aa2f9,O2H2_smiles_OO_rot_dist_51,O2H2,,,,-151.519849409794,,,CCSD(T)_ccpCVQZ,orca_CCSD(T)_ccpCVQZ,indep,,,,,,,,,,, -12558,f5c0d90470e0a5c9b49b30639e2f3f10,COH4_smiles_CO_rot_dist_0,COH4,,,,-115.703980401136,,,CCSD(T)_ccpCVQZ,orca_CCSD(T)_ccpCVQZ,indep,,,,,,,,,,, -12561,1f63b74037d2198e479b50daa51e4746,CNH3_smiles_C=N_rot_dist_51,CNH3,,,,-93.99052583460612,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -12565,284a5a67016310089d8ae6b46f4769c2,COH4_smiles_CO_rot_dist_51,COH4,,,,-115.05635032357402,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -12569,59f2dc0870c065c2264cee80f880bdef,CNH3_smiles_C=N_rot_dist_0,CNH3,,,,-94.07455777840843,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -12573,5f0353ecdc69552e42777b0c93328056,NOH3_smiles_NO_rot_dist_51,NOH3,,,,-130.89737326901292,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -12577,66fbb0e865f6422bec7ffbe83806a027,NOH3_smiles_NO_rot_dist_0,NOH3,,,,-131.05303491063668,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -12581,c52368cd4b9737a41353c97dec7ef661,O2H2_smiles_OO_rot_dist_0,O2H2,,,,-150.84918607800796,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -12585,c60abba813faf351a1a00e3b2c1aa2f9,O2H2_smiles_OO_rot_dist_51,O2H2,,,,-150.83838975656136,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -12589,f5c0d90470e0a5c9b49b30639e2f3f10,COH4_smiles_CO_rot_dist_0,COH4,,,,-115.10065808337724,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -12604,1a72bfed9ede7fb53348e83bf38ab433,Kinal_Piecuch_Bicyclobutane_gt-TS,C4H6,,,,-155.6839622989025,,,CCSD(T)_ccpCVDZ,orca_CCSD(T)_ccpCVDZ,indep,,,,,,,,,,, -12606,5b132a54986fbc4eff405d51c74a2cb2,Kinal_Piecuch_Bicyclobutane_bicbut,C4H6,,,,-155.649245732304,,,CCSD(T)_ccpCVDZ,orca_CCSD(T)_ccpCVDZ,indep,,,,,,,,,,, -12608,bfc8c4eb6f5a81071c3367f29c3a6eb8,Kinal_Piecuch_Bicyclobutane_con_TS,C4H6,,,,-155.581088096665,,,CCSD(T)_ccpCVDZ,orca_CCSD(T)_ccpCVDZ,indep,,,,,,,,,,, -12610,de99e0c9183b024b6e238dc3663cd255,Kinal_Piecuch_Bicyclobutane_g-but,C4H6,,,,-155.6888306013925,,,CCSD(T)_ccpCVDZ,orca_CCSD(T)_ccpCVDZ,indep,,,,,,,,,,, -12612,f33305a20865d31702e143cfa50a4636,Kinal_Piecuch_Bicyclobutane_t-but,C4H6,,,,-155.6935989017765,,,CCSD(T)_ccpCVDZ,orca_CCSD(T)_ccpCVDZ,indep,,,,,,,,,,, -12614,f7325f260df07648ed7d74f74d46c631,Kinal_Piecuch_Bicyclobutane_dis_TS,C4H6,,,,-155.61989817878,,,CCSD(T)_ccpCVDZ,orca_CCSD(T)_ccpCVDZ,indep,,,,,,,,,,, -12616,1a72bfed9ede7fb53348e83bf38ab433,Kinal_Piecuch_Bicyclobutane_gt-TS,C4H6,,,,-155.888337529795,,,CCSD(T)_ccpCVTZ,orca_CCSD(T)_ccpCVTZ,indep,,,,,,,,,,, -12618,5b132a54986fbc4eff405d51c74a2cb2,Kinal_Piecuch_Bicyclobutane_bicbut,C4H6,,,,-155.855182106064,,,CCSD(T)_ccpCVTZ,orca_CCSD(T)_ccpCVTZ,indep,,,,,,,,,,, -12620,bfc8c4eb6f5a81071c3367f29c3a6eb8,Kinal_Piecuch_Bicyclobutane_con_TS,C4H6,,,,-155.785983130117,,,CCSD(T)_ccpCVTZ,orca_CCSD(T)_ccpCVTZ,indep,,,,,,,,,,, -12622,de99e0c9183b024b6e238dc3663cd255,Kinal_Piecuch_Bicyclobutane_g-but,C4H6,,,,-155.893322169094,,,CCSD(T)_ccpCVTZ,orca_CCSD(T)_ccpCVTZ,indep,,,,,,,,,,, -12624,f33305a20865d31702e143cfa50a4636,Kinal_Piecuch_Bicyclobutane_t-but,C4H6,,,,-155.898016119987,,,CCSD(T)_ccpCVTZ,orca_CCSD(T)_ccpCVTZ,indep,,,,,,,,,,, -12626,f7325f260df07648ed7d74f74d46c631,Kinal_Piecuch_Bicyclobutane_dis_TS,C4H6,,,,-155.812261907832,,,CCSD(T)_ccpCVTZ,orca_CCSD(T)_ccpCVTZ,indep,,,,,,,,,,, -12628,1a72bfed9ede7fb53348e83bf38ab433,Kinal_Piecuch_Bicyclobutane_gt-TS,C4H6,,,,-155.948760870853,,,CCSD(T)_ccpCVQZ,orca_CCSD(T)_ccpCVQZ,indep,,,,,,,,,,, -12630,5b132a54986fbc4eff405d51c74a2cb2,Kinal_Piecuch_Bicyclobutane_bicbut,C4H6,,,,-155.916168002301,,,CCSD(T)_ccpCVQZ,orca_CCSD(T)_ccpCVQZ,indep,,,,,,,,,,, -12632,bfc8c4eb6f5a81071c3367f29c3a6eb8,Kinal_Piecuch_Bicyclobutane_con_TS,C4H6,,,,-155.846564696836,,,CCSD(T)_ccpCVQZ,orca_CCSD(T)_ccpCVQZ,indep,,,,,,,,,,, -12634,de99e0c9183b024b6e238dc3663cd255,Kinal_Piecuch_Bicyclobutane_g-but,C4H6,,,,-155.953853221766,,,CCSD(T)_ccpCVQZ,orca_CCSD(T)_ccpCVQZ,indep,,,,,,,,,,, -12636,f33305a20865d31702e143cfa50a4636,Kinal_Piecuch_Bicyclobutane_t-but,C4H6,,,,-155.958607868304,,,CCSD(T)_ccpCVQZ,orca_CCSD(T)_ccpCVQZ,indep,,,,,,,,,,, -12638,f7325f260df07648ed7d74f74d46c631,Kinal_Piecuch_Bicyclobutane_dis_TS,C4H6,,,,-155.86823394916,,,CCSD(T)_ccpCVQZ,orca_CCSD(T)_ccpCVQZ,indep,,,,,,,,,,, -12641,1a72bfed9ede7fb53348e83bf38ab433,Kinal_Piecuch_Bicyclobutane_gt-TS,C4H6,,,,-154.97676186028914,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -12645,5b132a54986fbc4eff405d51c74a2cb2,Kinal_Piecuch_Bicyclobutane_bicbut,C4H6,,,,-154.93407708463073,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -12649,bfc8c4eb6f5a81071c3367f29c3a6eb8,Kinal_Piecuch_Bicyclobutane_con_TS,C4H6,,,,-154.84215076351086,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -12653,de99e0c9183b024b6e238dc3663cd255,Kinal_Piecuch_Bicyclobutane_g-but,C4H6,,,,-154.9811267303428,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -12657,f33305a20865d31702e143cfa50a4636,Kinal_Piecuch_Bicyclobutane_t-but,C4H6,,,,-154.98678246497536,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -12661,f7325f260df07648ed7d74f74d46c631,Kinal_Piecuch_Bicyclobutane_dis_TS,C4H6,,,,-154.76908683346554,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -12664,00a3af1770aa1a3dcd9b1809bbb7c345,QM7_5heavyatoms_C4OH6,C4OH6,,,,-230.762983627032,,,CCSD(T)_ccpCVDZ,orca_CCSD(T)_ccpCVDZ,indep,,,,,,,,,,, -12666,1335326feb3b9b2e55dfbf9fd3ea0b31,QM7_5heavyatoms_C4NH5,C4NH5,,,,-209.764201891306,,,CCSD(T)_ccpCVDZ,orca_CCSD(T)_ccpCVDZ,indep,,,,,,,,,,, -12668,53529979e1ac7c801a86a8f915aa183f,QM7_5heavyatoms_C4OH8_dist,C4OH8,,,,-231.822349282152,,,CCSD(T)_ccpCVDZ,orca_CCSD(T)_ccpCVDZ,indep,,,,,,,,,,, -12670,74320cf4c0799080ae336b852cda4a65,QM7_5heavyatoms_C4OH6_dist,C4OH6,,,,-230.655807556963,,,CCSD(T)_ccpCVDZ,orca_CCSD(T)_ccpCVDZ,indep,,,,,,,,,,, -12672,92f2db443c52b1ba81333b5528830e1d,QM7_5heavyatoms_C5H8_dist,C5H8,,,,-194.891125409982,,,CCSD(T)_ccpCVDZ,orca_CCSD(T)_ccpCVDZ,indep,,,,,,,,,,, -12674,cc69c8b888d028eed6e9870a3d46bad1,QM7_5heavyatoms_C4OH8,C4OH8,,,,-231.999269437683,,,CCSD(T)_ccpCVDZ,orca_CCSD(T)_ccpCVDZ,indep,,,,,,,,,,, -12676,d2637ccf9b84a9a78cb35c144dff4ca0,QM7_5heavyatoms_C4NH5_dist,C4NH5,,,,-209.679241160233,,,CCSD(T)_ccpCVDZ,orca_CCSD(T)_ccpCVDZ,indep,,,,,,,,,,, -12678,f4baee17bd0bc26ae198b26164703cc6,QM7_5heavyatoms_C5H8,C5H8,,,,-194.92924866826,,,CCSD(T)_ccpCVDZ,orca_CCSD(T)_ccpCVDZ,indep,,,,,,,,,,, -12680,00a3af1770aa1a3dcd9b1809bbb7c345,QM7_5heavyatoms_C4OH6,C4OH6,,,,-231.063358342683,,,CCSD(T)_ccpCVTZ,orca_CCSD(T)_ccpCVTZ,indep,,,,,,,,,,, -12682,1335326feb3b9b2e55dfbf9fd3ea0b31,QM7_5heavyatoms_C4NH5,C4NH5,,,,-210.030103257796,,,CCSD(T)_ccpCVTZ,orca_CCSD(T)_ccpCVTZ,indep,,,,,,,,,,, -12684,53529979e1ac7c801a86a8f915aa183f,QM7_5heavyatoms_C4OH8_dist,C4OH8,,,,-232.11968605608,,,CCSD(T)_ccpCVTZ,orca_CCSD(T)_ccpCVTZ,indep,,,,,,,,,,, -12686,74320cf4c0799080ae336b852cda4a65,QM7_5heavyatoms_C4OH6_dist,C4OH6,,,,-230.950244255726,,,CCSD(T)_ccpCVTZ,orca_CCSD(T)_ccpCVTZ,indep,,,,,,,,,,, -12688,92f2db443c52b1ba81333b5528830e1d,QM7_5heavyatoms_C5H8_dist,C5H8,,,,-195.150003453667,,,CCSD(T)_ccpCVTZ,orca_CCSD(T)_ccpCVTZ,indep,,,,,,,,,,, -12690,cc69c8b888d028eed6e9870a3d46bad1,QM7_5heavyatoms_C4OH8,C4OH8,,,,-232.308211239813,,,CCSD(T)_ccpCVTZ,orca_CCSD(T)_ccpCVTZ,indep,,,,,,,,,,, -12692,d2637ccf9b84a9a78cb35c144dff4ca0,QM7_5heavyatoms_C4NH5_dist,C4NH5,,,,-209.932275139958,,,CCSD(T)_ccpCVTZ,orca_CCSD(T)_ccpCVTZ,indep,,,,,,,,,,, -12694,f4baee17bd0bc26ae198b26164703cc6,QM7_5heavyatoms_C5H8,C5H8,,,,-195.1886433206,,,CCSD(T)_ccpCVTZ,orca_CCSD(T)_ccpCVTZ,indep,,,,,,,,,,, -12696,00a3af1770aa1a3dcd9b1809bbb7c345,QM7_5heavyatoms_C4OH6,C4OH6,,,,-231.151649298914,,,CCSD(T)_ccpCVQZ,orca_CCSD(T)_ccpCVQZ,indep,,,,,,,,,,, -12698,1335326feb3b9b2e55dfbf9fd3ea0b31,QM7_5heavyatoms_C4NH5,C4NH5,,,,-210.109211903258,,,CCSD(T)_ccpCVQZ,orca_CCSD(T)_ccpCVQZ,indep,,,,,,,,,,, -12701,74320cf4c0799080ae336b852cda4a65,QM7_5heavyatoms_C4OH6_dist,C4OH6,,,,-231.037542203321,,,CCSD(T)_ccpCVQZ,orca_CCSD(T)_ccpCVQZ,indep,,,,,,,,,,, -12705,d2637ccf9b84a9a78cb35c144dff4ca0,QM7_5heavyatoms_C4NH5_dist,C4NH5,,,,-210.009523157828,,,CCSD(T)_ccpCVQZ,orca_CCSD(T)_ccpCVQZ,indep,,,,,,,,,,, -12709,00a3af1770aa1a3dcd9b1809bbb7c345,QM7_5heavyatoms_C4OH6,C4OH6,,,,-229.8628568316697,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -12713,1335326feb3b9b2e55dfbf9fd3ea0b31,QM7_5heavyatoms_C4NH5,C4NH5,,,,-208.89231596870133,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -12717,53529979e1ac7c801a86a8f915aa183f,QM7_5heavyatoms_C4OH8_dist,C4OH8,,,,-230.83227030905488,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -12719,74320cf4c0799080ae336b852cda4a65,QM7_5heavyatoms_C4OH6_dist,C4OH6,,,,-229.71708139031225,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -12723,92f2db443c52b1ba81333b5528830e1d,QM7_5heavyatoms_C5H8_dist,C5H8,,,,-193.9952447347368,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -12725,cc69c8b888d028eed6e9870a3d46bad1,QM7_5heavyatoms_C4OH8,C4OH8,,,,-231.0692270300412,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -12727,d2637ccf9b84a9a78cb35c144dff4ca0,QM7_5heavyatoms_C4NH5_dist,C4NH5,,,,-208.7662635441686,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -12731,f4baee17bd0bc26ae198b26164703cc6,QM7_5heavyatoms_C5H8,C5H8,,,,-194.03795643390168,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -12732,53816025747a6a3b18c58d06bacabe86,QM7_6heavyatoms_C5NH13,C5NH13,,,,-252.620270081342,,,CCSD(T)_ccpCVDZ,orca_CCSD(T)_ccpCVDZ,indep,,,,,,,,,,, -12734,57f981205fdc5a81657dfab6a1267cb9,QM7_6heavyatoms_C4NOH7,C4NOH7,,,,-286.070358405975,,,CCSD(T)_ccpCVDZ,orca_CCSD(T)_ccpCVDZ,indep,,,,,,,,,,, -12736,5bf2feb317d83855470bc0b0ce7e655f,QM7_6heavyatoms_C4NOH7_dist,C4NOH7,,,,-286.0444047557,,,CCSD(T)_ccpCVDZ,orca_CCSD(T)_ccpCVDZ,indep,,,,,,,,,,, -12738,9a14619e94f3e260725f4413631bbb2b,QM7_6heavyatoms_C5NH13_dist,C5NH13,,,,-252.535351738784,,,CCSD(T)_ccpCVDZ,orca_CCSD(T)_ccpCVDZ,indep,,,,,,,,,,, -12740,d4206a8ff621291368253551036bb45e,QM7_6heavyatoms_C5OH10_dist,C5OH10,,,,-271.179203229587,,,CCSD(T)_ccpCVDZ,orca_CCSD(T)_ccpCVDZ,indep,,,,,,,,,,, -12742,dc68def81400aeeb58239712abce1c6e,QM7_6heavyatoms_C4NOH9,C4NOH9,,,,-287.246009967804,,,CCSD(T)_ccpCVDZ,orca_CCSD(T)_ccpCVDZ,indep,,,,,,,,,,, -12744,f0dd49eca4fd8b97eb1681e72a6db0b3,QM7_6heavyatoms_C4NOH9_dist,C4NOH9,,,,-287.120968258799,,,CCSD(T)_ccpCVDZ,orca_CCSD(T)_ccpCVDZ,indep,,,,,,,,,,, -12746,fc8f0301de0cf44cb5ba7641b0848115,QM7_6heavyatoms_C5OH10,C5OH10,,,,-271.228053182444,,,CCSD(T)_ccpCVDZ,orca_CCSD(T)_ccpCVDZ,indep,,,,,,,,,,, -12748,53816025747a6a3b18c58d06bacabe86,QM7_6heavyatoms_C5NH13,C5NH13,,,,-252.967737347259,,,CCSD(T)_ccpCVTZ,orca_CCSD(T)_ccpCVTZ,indep,,,,,,,,,,, -12750,57f981205fdc5a81657dfab6a1267cb9,QM7_6heavyatoms_C4NOH7,C4NOH7,,,,-286.437894132241,,,CCSD(T)_ccpCVTZ,orca_CCSD(T)_ccpCVTZ,indep,,,,,,,,,,, -12752,5bf2feb317d83855470bc0b0ce7e655f,QM7_6heavyatoms_C4NOH7_dist,C4NOH7,,,,-286.409848396104,,,CCSD(T)_ccpCVTZ,orca_CCSD(T)_ccpCVTZ,indep,,,,,,,,,,, -12754,9a14619e94f3e260725f4413631bbb2b,QM7_6heavyatoms_C5NH13_dist,C5NH13,,,,-252.871410915399,,,CCSD(T)_ccpCVTZ,orca_CCSD(T)_ccpCVTZ,indep,,,,,,,,,,, -12756,d4206a8ff621291368253551036bb45e,QM7_6heavyatoms_C5OH10_dist,C5OH10,,,,-271.537854039501,,,CCSD(T)_ccpCVTZ,orca_CCSD(T)_ccpCVTZ,indep,,,,,,,,,,, -12758,dc68def81400aeeb58239712abce1c6e,QM7_6heavyatoms_C4NOH9,C4NOH9,,,,-287.627583194055,,,CCSD(T)_ccpCVTZ,orca_CCSD(T)_ccpCVTZ,indep,,,,,,,,,,, -12760,f0dd49eca4fd8b97eb1681e72a6db0b3,QM7_6heavyatoms_C4NOH9_dist,C4NOH9,,,,-287.492710177315,,,CCSD(T)_ccpCVTZ,orca_CCSD(T)_ccpCVTZ,indep,,,,,,,,,,, -12762,fc8f0301de0cf44cb5ba7641b0848115,QM7_6heavyatoms_C5OH10,C5OH10,,,,-271.589362919024,,,CCSD(T)_ccpCVTZ,orca_CCSD(T)_ccpCVTZ,indep,,,,,,,,,,, -12766,5bf2feb317d83855470bc0b0ce7e655f,QM7_6heavyatoms_C4NOH7_dist,C4NOH7,,,,-286.519191376474,,,CCSD(T)_ccpCVQZ,orca_CCSD(T)_ccpCVQZ,indep,,,,,,,,,,, -12768,9a14619e94f3e260725f4413631bbb2b,QM7_6heavyatoms_C5NH13_dist,C5NH13,,,,-252.970787589128,,,CCSD(T)_ccpCVQZ,orca_CCSD(T)_ccpCVQZ,indep,,,,,,,,,,, -12770,d4206a8ff621291368253551036bb45e,QM7_6heavyatoms_C5OH10_dist,C5OH10,,,,-271.642830422817,,,CCSD(T)_ccpCVQZ,orca_CCSD(T)_ccpCVQZ,indep,,,,,,,,,,, -12776,53816025747a6a3b18c58d06bacabe86,QM7_6heavyatoms_C5NH13,C5NH13,,,,-251.46555495375344,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -12778,57f981205fdc5a81657dfab6a1267cb9,QM7_6heavyatoms_C4NOH7,C4NOH7,,,,-284.9674445533301,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -12780,5bf2feb317d83855470bc0b0ce7e655f,QM7_6heavyatoms_C4NOH7_dist,C4NOH7,,,,-284.9343924943572,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -12784,9a14619e94f3e260725f4413631bbb2b,QM7_6heavyatoms_C5NH13_dist,C5NH13,,,,-251.3526149786572,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -12788,d4206a8ff621291368253551036bb45e,QM7_6heavyatoms_C5OH10_dist,C5OH10,,,,-270.04458163766503,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -12792,dc68def81400aeeb58239712abce1c6e,QM7_6heavyatoms_C4NOH9,C4NOH9,,,,-286.11672462549694,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -12794,f0dd49eca4fd8b97eb1681e72a6db0b3,QM7_6heavyatoms_C4NOH9_dist,C4NOH9,,,,-285.93923461161813,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -12796,fc8f0301de0cf44cb5ba7641b0848115,QM7_6heavyatoms_C5OH10,C5OH10,,,,-270.11015963957067,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -12797,0c6f71281f19c51523502147ee31b46a,QM7_7heavyatoms_C7H14,C7H14,,,,-274.621713866038,,,CCSD(T)_ccpCVDZ,orca_CCSD(T)_ccpCVDZ,indep,,,,,,,,,,, -12799,413d7b6d9e8b227a769f0f0aa11e3f2b,QM7_7heavyatoms_C4N2OH8_dist,C4N2OH8,,,,-341.244672676286,,,CCSD(T)_ccpCVDZ,orca_CCSD(T)_ccpCVDZ,indep,,,,,,,,,,, -12801,628e31411e3fd38688f3b050b36fd9a0,QM7_7heavyatoms_C4N2OH8,C4N2OH8,,,,-341.300270843743,,,CCSD(T)_ccpCVDZ,orca_CCSD(T)_ccpCVDZ,indep,,,,,,,,,,, -12803,7ced42183f1fe9c6b2635de20e079624,QM7_7heavyatoms_C4N2OH8_dist,C4N2OH8,,,,-341.260142012551,,,CCSD(T)_ccpCVDZ,orca_CCSD(T)_ccpCVDZ,indep,,,,,,,,,,, -12805,983dc71ab8421df41339a2f8f363c9d8,QM7_7heavyatoms_C4N2OH8,C4N2OH8,,,,-341.322532173553,,,CCSD(T)_ccpCVDZ,orca_CCSD(T)_ccpCVDZ,indep,,,,,,,,,,, -12807,b6d0fc242f172cb40726cfa785bcf776,QM7_7heavyatoms_C7H14_dist,C7H14,,,,-274.512969442937,,,CCSD(T)_ccpCVDZ,orca_CCSD(T)_ccpCVDZ,indep,,,,,,,,,,, -12809,d5c3c9fa67b849da18b32fdc89b3b811,QM7_7heavyatoms_C6NH7_dist,C6NH7,,,,-286.947777171994,,,CCSD(T)_ccpCVDZ,orca_CCSD(T)_ccpCVDZ,indep,,,,,,,,,,, -12811,f096790bded54b5e7791aebf007cab0d,QM7_7heavyatoms_C6NH7,C6NH7,,,,-287.001558904116,,,CCSD(T)_ccpCVDZ,orca_CCSD(T)_ccpCVDZ,indep,,,,,,,,,,, -12813,0c6f71281f19c51523502147ee31b46a,QM7_7heavyatoms_C7H14,C7H14,,,,-274.99537898164,,,CCSD(T)_ccpCVTZ,orca_CCSD(T)_ccpCVTZ,indep,,,,,,,,,,, -12815,413d7b6d9e8b227a769f0f0aa11e3f2b,QM7_7heavyatoms_C4N2OH8_dist,C4N2OH8,,,,-341.67299295245,,,CCSD(T)_ccpCVTZ,orca_CCSD(T)_ccpCVTZ,indep,,,,,,,,,,, -12817,628e31411e3fd38688f3b050b36fd9a0,QM7_7heavyatoms_C4N2OH8,C4N2OH8,,,,-341.740943339268,,,CCSD(T)_ccpCVTZ,orca_CCSD(T)_ccpCVTZ,indep,,,,,,,,,,, -12819,7ced42183f1fe9c6b2635de20e079624,QM7_7heavyatoms_C4N2OH8_dist,C4N2OH8,,,,-341.700289675259,,,CCSD(T)_ccpCVTZ,orca_CCSD(T)_ccpCVTZ,indep,,,,,,,,,,, -12821,983dc71ab8421df41339a2f8f363c9d8,QM7_7heavyatoms_C4N2OH8,C4N2OH8,,,,-341.760442452743,,,CCSD(T)_ccpCVTZ,orca_CCSD(T)_ccpCVTZ,indep,,,,,,,,,,, -12823,b6d0fc242f172cb40726cfa785bcf776,QM7_7heavyatoms_C7H14_dist,C7H14,,,,-274.867147414888,,,CCSD(T)_ccpCVTZ,orca_CCSD(T)_ccpCVTZ,indep,,,,,,,,,,, -12825,d5c3c9fa67b849da18b32fdc89b3b811,QM7_7heavyatoms_C6NH7_dist,C6NH7,,,,-287.303986359426,,,CCSD(T)_ccpCVTZ,orca_CCSD(T)_ccpCVTZ,indep,,,,,,,,,,, -12827,f096790bded54b5e7791aebf007cab0d,QM7_7heavyatoms_C6NH7,C6NH7,,,,-287.368088201028,,,CCSD(T)_ccpCVTZ,orca_CCSD(T)_ccpCVTZ,indep,,,,,,,,,,, -12830,413d7b6d9e8b227a769f0f0aa11e3f2b,QM7_7heavyatoms_C4N2OH8_dist,C4N2OH8,,,,-341.802876432056,,,CCSD(T)_ccpCVQZ,orca_CCSD(T)_ccpCVQZ,indep,,,,,,,,,,, -12836,d5c3c9fa67b849da18b32fdc89b3b811,QM7_7heavyatoms_C6NH7_dist,C6NH7,,,,-287.411269089224,,,CCSD(T)_ccpCVQZ,orca_CCSD(T)_ccpCVQZ,indep,,,,,,,,,,, -12840,0c6f71281f19c51523502147ee31b46a,QM7_7heavyatoms_C7H14,C7H14,,,,-273.3259334618031,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -12842,413d7b6d9e8b227a769f0f0aa11e3f2b,QM7_7heavyatoms_C4N2OH8_dist,C4N2OH8,,,,-339.91406211146574,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -12846,628e31411e3fd38688f3b050b36fd9a0,QM7_7heavyatoms_C4N2OH8,C4N2OH8,,,,-340.00009512657715,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -12848,7ced42183f1fe9c6b2635de20e079624,QM7_7heavyatoms_C4N2OH8_dist,C4N2OH8,,,,-339.9518300489949,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -12850,983dc71ab8421df41339a2f8f363c9d8,QM7_7heavyatoms_C4N2OH8,C4N2OH8,,,,-340.02339514008185,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -12852,b6d0fc242f172cb40726cfa785bcf776,QM7_7heavyatoms_C7H14_dist,C7H14,,,,-273.17177103770604,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -12854,d5c3c9fa67b849da18b32fdc89b3b811,QM7_7heavyatoms_C6NH7_dist,C6NH7,,,,-285.6882826005631,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -12858,f096790bded54b5e7791aebf007cab0d,QM7_7heavyatoms_C6NH7,C6NH7,,,,-285.78785443821903,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -12859,f33305a20865d31702e143cfa50a4636,Kinal_Piecuch_Bicyclobutane_t-but,C4H6,0.0,eval,4000.0,-155.96744480895995,0.0002546237065275,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/05n3a86k,2023-05-01_699torsion_nc_by_std_256k_2keval_reuseshared_Bicyclobutane,dpe,reuseshared,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,6.0,576.0,,2048.0,,, -12860,1a72bfed9ede7fb53348e83bf38ab433,Kinal_Piecuch_Bicyclobutane_gt-TS,C4H6,0.0,eval,4000.0,-155.9602837371826,0.0002401835011619,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/9bkpne8f,2023-05-01_699torsion_nc_by_std_256k_2keval_reuseshared_Bicyclobutane,dpe,reuseshared,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,6.0,562.0,,2048.0,,, -12861,de99e0c9183b024b6e238dc3663cd255,Kinal_Piecuch_Bicyclobutane_g-but,C4H6,0.0,eval,4000.0,-155.964618598938,0.0002550397152755,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/y89ccbff,2023-05-01_699torsion_nc_by_std_256k_2keval_reuseshared_Bicyclobutane,dpe,reuseshared,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,6.0,540.0,,2048.0,,, -12862,f7325f260df07648ed7d74f74d46c631,Kinal_Piecuch_Bicyclobutane_dis_TS,C4H6,0.0,eval,4000.0,-155.8253185043335,0.000251359366336,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/msmvdmzi,2023-05-01_699torsion_nc_by_std_256k_2keval_reuseshared_Bicyclobutane,dpe,reuseshared,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,6.0,799.0,,2048.0,,, -12863,bfc8c4eb6f5a81071c3367f29c3a6eb8,Kinal_Piecuch_Bicyclobutane_con_TS,C4H6,0.0,eval,4000.0,-155.85508966827393,0.000277197379876,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/mwixhdsm,2023-05-01_699torsion_nc_by_std_256k_2keval_reuseshared_Bicyclobutane,dpe,reuseshared,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,6.0,815.0,,2048.0,,, -12864,5b132a54986fbc4eff405d51c74a2cb2,Kinal_Piecuch_Bicyclobutane_bicbut,C4H6,0.0,eval,4000.0,-155.92589054870606,0.0002523918385491,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/sva73y3b,2023-05-01_699torsion_nc_by_std_256k_2keval_reuseshared_Bicyclobutane,dpe,reuseshared,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,6.0,708.0,,2048.0,,, -12865,f33305a20865d31702e143cfa50a4636,Kinal_Piecuch_Bicyclobutane_t-but,C4H6,0.0,eval,0.0,-155.95930256652832,0.0002754641735225,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/8klqpfad,2023-05-01_699torsion_nc_by_std_256k_2keval_reuseshared_Bicyclobutane,dpe,reuseshared,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,6.0,0.0,,2048.0,,, -12866,1a72bfed9ede7fb53348e83bf38ab433,Kinal_Piecuch_Bicyclobutane_gt-TS,C4H6,0.0,eval,0.0,-155.95386206817628,0.0002817210690886,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/mx1escid,2023-05-01_699torsion_nc_by_std_256k_2keval_reuseshared_Bicyclobutane,dpe,reuseshared,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,6.0,0.0,,2048.0,,, -12867,de99e0c9183b024b6e238dc3663cd255,Kinal_Piecuch_Bicyclobutane_g-but,C4H6,0.0,eval,0.0,-155.95602365112305,0.0002742709005834,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/eyasjej2,2023-05-01_699torsion_nc_by_std_256k_2keval_reuseshared_Bicyclobutane,dpe,reuseshared,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,6.0,0.0,,2048.0,,, -12868,f7325f260df07648ed7d74f74d46c631,Kinal_Piecuch_Bicyclobutane_dis_TS,C4H6,0.0,eval,0.0,-155.71942697143555,0.0003178157479956,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/asb57gp6,2023-05-01_699torsion_nc_by_std_256k_2keval_reuseshared_Bicyclobutane,dpe,reuseshared,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,6.0,0.0,,2048.0,,, -12869,bfc8c4eb6f5a81071c3367f29c3a6eb8,Kinal_Piecuch_Bicyclobutane_con_TS,C4H6,0.0,eval,0.0,-155.8109654006958,0.0003178921148875,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/s4bl1vau,2023-05-01_699torsion_nc_by_std_256k_2keval_reuseshared_Bicyclobutane,dpe,reuseshared,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,6.0,0.0,,2048.0,,, -12870,bfc8c4eb6f5a81071c3367f29c3a6eb8,Kinal_Piecuch_Bicyclobutane_con_TS,C4H6,0.0,eval,1000.0,-155.84496249389647,0.0002909243282771,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/s4bl1vau,2023-05-01_699torsion_nc_by_std_256k_2keval_reuseshared_Bicyclobutane,dpe,reuseshared,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,6.0,201.0,,2048.0,,, -12871,5b132a54986fbc4eff405d51c74a2cb2,Kinal_Piecuch_Bicyclobutane_bicbut,C4H6,0.0,eval,0.0,-155.90922441864015,0.0003351906919218,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/1v6cofbd,2023-05-01_699torsion_nc_by_std_256k_2keval_reuseshared_Bicyclobutane,dpe,reuseshared,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,6.0,0.0,,2048.0,,, -12872,5b132a54986fbc4eff405d51c74a2cb2,Kinal_Piecuch_Bicyclobutane_bicbut,C4H6,0.0,eval,1000.0,-155.9210951461792,0.0002898122107691,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/1v6cofbd,2023-05-01_699torsion_nc_by_std_256k_2keval_reuseshared_Bicyclobutane,dpe,reuseshared,gnn_phisnet,phisnet_8fd,699torsions_nc_by_std_256k,256000.0,6.0,187.0,,2048.0,,, -12873,43b92d866504253d847cf2d1406481df,QM7_C2H6_es,C2H6,,,0.0,-79.76001827711819,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12874,f2b8b64a0cc99268bfe40f35f85b7472,C2H2_smiles_C#C_es,C2H2,,,0.0,-77.2626607599889,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12875,cdc969ca76610c6d6da05127ff8c6fcb,QM7_C2NH7_es,C2NH7,,,0.0,-135.0749521842602,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12876,ba02983b9dc30f345dcf0fd4121bdb99,QM7_C2NH3_es,C2NH3,,,0.0,-132.6520179530175,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12877,092ac1f82f72dba2c49226739f9649c3,QM7_C2NH7_es,C2NH7,,,0.0,-135.0621978987036,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12878,44b4330b5978c4357958375e9f5297ea,QM7_C2OH4_es,C2OH4,,,0.0,-153.68710001115588,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12879,853b676dacf9d7d17b654d7529c42722,QM7_C2OH6_es,C2OH6,,,0.0,-154.9369613438199,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12880,57bb9cb50fb946f0a016a9727feea628,QM7_C2OH4_es,C2OH4,,,0.0,-153.7233273975973,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12881,16174b01b269e57f0f586ce2bc0f4670,QM7_C2OH6_es,C2OH6,,,0.0,-154.9177854855813,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12882,4f14fd152b2775e365acc1c6fd010571,QM7_C3H8_es,C3H8,,,0.0,-119.0436775251892,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12883,2d48b769ead326a0672482962034126a,QM7_C3H6_es,C3H6,,,0.0,-117.806040700173,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12884,99b39d93b42775a4777380137e88b8de,QM7_C3H4_es,C3H4,,,0.0,-116.557798541667,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12885,b06781596426edeb68a824ed84696e81,QM7_C4H8_es,C4H8,,,0.0,-157.0875536053775,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12886,1ce56558bfa6817d89dcfc4c25b9004b,QM7_C4H8_es,C4H8,,,0.0,-157.0898845767272,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12887,73e81c547d65290f2dadb3859e5b0682,QM7_C4H10_es,C4H10,,,0.0,-158.32737602151258,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12888,51a587c756422c73879914d07fe316d4,QM7_C4H10_es,C4H10,,,0.0,-158.32884411929828,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12889,92d435f64a761eeee4209bebbebb024c,QM7_C4H6_es,C4H6,,,0.0,-155.86421178032035,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12890,a2c1f3dc55409b1f21849cbf2282d137,QM7_C4H4_es,C4H4,,,0.0,-154.6073350430357,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12891,508151d206ffa07ee55a3ea964501d62,QM7_C4H2_es,C4H2,,,0.0,-153.3549344439896,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12892,a474b9b0d919fec2e0ca2586caafa948,QM7_C4H8_es,C4H8,,,0.0,-157.09407995031378,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12893,5e8c80d303c7354add813415d6f28966,QM7_C4H8_es,C4H8,,,0.0,-157.0951783501415,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12894,021473b5b550302af78603127b348aac,QM7_C4H6_es,C4H6,,,0.0,-155.8508642875632,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12895,63c5c1611d5312ffce578d658b8c5ada,QM7_C4H8_es,C4H8,,,0.0,-157.09222719760498,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12896,250cb6a8db3c55a89292671434097581,QM7_C4H6_es,C4H6,,,0.0,-155.8405339858346,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12897,eae0769c8e5901db8a2414aef35c8f97,QM7_C3NH7_es,C3NH7,,,0.0,-173.1123005597881,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12898,53a4c37c8c59f43fffde54e67487e6f9,QM7_C3NH7_es,C3NH7,,,0.0,-173.11547474382627,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12899,2520f11740d0ba5a855dfd2797f683a2,QM7_C3NH9_es,C3NH9,,,0.0,-174.3584069224767,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12900,c036be847f9ba26575e75a3cab9c60ca,QM7_C3NH3_es,C3NH3,,,0.0,-170.697686076071,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12901,797c8679d4f366856d997776a749a57d,QM7_C3NH_es,C3NH,,,0.0,-169.43807335340128,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12902,2784c9f5ae0f39d3d4a6b80184a0af8f,QM7_C3NH9_es,C3NH9,,,0.0,-174.3616911339191,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12903,aeccfc789717750150fe416bd0d2b435,QM7_C3NH5_es,C3NH5,,,0.0,-171.9348461524183,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12904,d0ce7d67d9b7cbc64f0880380fda6b1c,QM7_C3NH9_es,C3NH9,,,0.0,-174.34852176501897,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12905,cdd63247e2e8775a52faa2d4954a6b4a,QM7_C3NH7_es,C3NH7,,,0.0,-173.103316201172,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12906,32edf74498266802b399d999bf01abd2,QM7_C3NH9_es,C3NH9,,,0.0,-174.3387863609588,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12907,438a6262e7fda1a3e1d2ccbb042d16a1,QM7_C3NH7_es,C3NH7,,,0.0,-173.1195129039075,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12908,ab614ed39d61f43e11712d4bc512de7a,QM7_C3NH7_es,C3NH7,,,0.0,-173.12250392943452,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12909,fb6d4a1291bbcfaac5c60ac300e44b17,QM7_C3NH5_es,C3NH5,,,0.0,-171.8673577901854,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12910,d3b7e89f026234f30ef064731c2eadb1,QM7_C3OH6_es,C3OH6,,,0.0,-192.9778497794168,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12911,1cfbf48bf80bf4d3121e7d03a9290c72,QM7_C3OH8_es,C3OH8,,,0.0,-194.220300762733,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12912,3a6ad2e1c320294a7cfbb0130b451d92,QM7_C3OH4_es,C3OH4,,,0.0,-191.7764052452605,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12913,e36afa845f8fe5adf9d68cea3cdb9178,QM7_C3OH8_es,C3OH8,,,0.0,-194.22533038217887,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12914,2e4e17d8fcbdbc1dfefb8a4ec78707aa,QM7_C3OH6_es,C3OH6,,,0.0,-193.0193259581293,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12915,d28f5c94bce67f9a13ca87eb71635e02,QM7_C3OH6_es,C3OH6,,,0.0,-193.0075026793389,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12916,0487132117bcfe04bc59dfb9de076f90,QM7_C3OH8_es,C3OH8,,,0.0,-194.2059528070326,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12917,0e7a94237602d43bcc01c0aa58ce0bfd,QM7_C3OH6_es,C3OH6,,,0.0,-192.97501637163748,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12918,35fb9f5bbdd704ab8c9bb1b92db3e2c4,QM7_C3OH6_es,C3OH6,,,0.0,-192.9821636694959,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12919,8713437fcb040842c7fa9053b2bbf1b3,QM7_C3OH2_es,C3OH2,,,0.0,-190.51134546784616,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12920,ae851c97ffbaab98e0627765614c874e,QM7_C3OH6_es,C3OH6,,,0.0,-192.9836914481448,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12921,20f47e2cffc29e74cf02418433ce31d2,QM7_C3OH4_es,C3OH4,,,0.0,-191.7257172665142,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12922,c2c106c3692fc7e06404ca9eff85b6ab,QM7_C2NOH5_es,C2NOH5,,,0.0,-208.9932917743181,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12923,84e4f66a04398e3dc463550c63edd5eb,QM7_C2NOH5_es,C2NOH5,,,0.0,-209.0823935391093,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12924,133e37198a9a257e7bb73f2accd31f0a,QM7_C2NOH5_es,C2NOH5,,,0.0,-209.0613755487096,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12925,92275dbbe60adf6359eda5a5e590a26d,QM7_C2NOH5_es,C2NOH5,,,0.0,-208.97301031338893,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12926,69cb9176f26efbedbef53b53a24020a4,QM7_C2NOH7_es,C2NOH7,,,0.0,-210.2554368912508,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12927,4d1e0dfd67156093f4724d62222e62fd,QM7_C4OH6_es,C4OH6,,,0.0,-231.0168542253999,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12928,a48f86354bff6f0170238e33c06f2e06,QM7_C4NH11_es,C4NH11,,,0.0,-213.6344577057236,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12929,6044e6c5c07a00d3c1d821d0ee8cdd1a,QM7_C4NH9_es,C4NH9,,,0.0,-212.3994294562693,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12930,5fab1da844ce0e8621bf66cf4dcea907,QM7_C3NOH7_es,C3NOH7,,,0.0,-248.3508803609344,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12931,d5a25602cd257cc9e3bf7970972a2a9e,QM7_C4NH11_es,C4NH11,,,0.0,-213.6318437280146,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12932,d85915aa33114957e1b7177c458bd0b6,QM7_C3NOH7_es,C3NOH7,,,0.0,-248.366097217084,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12933,15f5ac1bfd51b08001a8eb9d1abf97c8,QM7_C5H6_es,C5H6,,,0.0,-193.89416560869947,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12934,35d9fa5e8f60aab1e7f1ab4134c390f9,QM7_C4NH11_es,C4NH11,,,0.0,-213.64848605276188,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12935,974d5f8740059b7cb548603dff495b3b,QM7_C5H10_es,C5H10,,,0.0,-196.3803501626512,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12936,341547129d998e85433fdb84e01c5e7b,QM7_C4OH8_es,C4OH8,,,0.0,-232.2734232607957,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12937,aac3df3eaa7b67c8fd3be686ee62ddcb,QM7_C4NH9_es,C4NH9,,,0.0,-212.3898836418477,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12938,7575b96d828ed968e6da8acdc5b5de94,QM7_C4NH9_es,C4NH9,,,0.0,-212.4087840640829,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12939,a002024623f521b75f75ac4896ca32eb,QM7_C4OH8_es,C4OH8,,,0.0,-232.2742180379068,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12940,86e8df5adae567d99edeaf18af25e1e8,QM7_C5H6_es,C5H6,,,0.0,-193.88693143549588,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12941,4fdcad8dd11f77c6bbd65a290366e2d1,QM7_C3NOH7_es,C3NOH7,,,0.0,-248.2872394299157,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12942,f41e422ad350fb766568e7f500730238,QM7_C5H4_es,C5H4,,,0.0,-192.63025005749,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12943,8f6b43df098e2c24fe33f00321ea9a41,QM7_C5H10_es,C5H10,,,0.0,-196.37607809327548,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12944,c2684200a72860eb9d64fb5d89951ff7,QM7_C5H10_es,C5H10,,,0.0,-196.3785676011054,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12945,69888433c4dad2ff8b4fc2c2a01089e9,QM7_C5H6_es,C5H6,,,0.0,-193.88715832567408,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12946,5362ada4b38fed1c6ba8f4c60bfe9f20,QM7_C4OH8_es,C4OH8,,,0.0,-232.2604495451688,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12947,531d38be8009a735ca3e819fc7c2df9f,QM7_C4OH8_es,C4OH8,,,0.0,-232.2646558700468,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12948,cea997dfe6d848d6c14c8556a005ec41,QM7_C3NOH7_es,C3NOH7,,,0.0,-248.34176704902453,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12949,f571e9b7ad454116c053b840a562a244,QM7_C4OH8_es,C4OH8,,,0.0,-232.24986350506148,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12950,4802c23440be45da0b8876c015a18f88,QM7_C5H8_es,C5H8,,,0.0,-195.1757033312422,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12951,e313fe9a00784d8578cc04e98fb8960f,QM7_C3NOH5_es,C3NOH5,,,0.0,-247.0827969246147,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12952,08d0b7f60d61d9dbaf57a6a0aa50bad3,QM7_C4NH3_es,C4NH3,,,0.0,-208.72163043841832,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12953,c93ca18d66ca4505b0fd538d1fe17777,QM7_C4OH10_es,C4OH10,,,0.0,-233.505442477566,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12954,be666367fc1041d4ab71a96161881c7e,QM7_C4NH11_es,C4NH11,,,0.0,-213.6419402306966,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12955,13ebd648e5146186994575a24d3e0553,QM7_C4OH6_es,C4OH6,,,0.0,-231.0627718510118,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12956,6a491b6b57376125143b39e739fab0cd,QM7_C4NH9_es,C4NH9,,,0.0,-212.4085639725252,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12957,a0ad7809b2727cce9202aa5d3edf6952,QM7_C4OH4_es,C4OH4,,,0.0,-229.7677576824182,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12958,7092ddb243d8f7e7d42f12078b195661,QM7_C4OH6_es,C4OH6,,,0.0,-231.0592007745336,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12959,4c81c81501bd1d7de8129287d2e8fa11,QM7_C4NH7_es,C4NH7,,,0.0,-211.1553415121339,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12960,6337e58fb67ce947699f95b5dea9c749,QM7_C3NOH5_es,C3NOH5,,,0.0,-247.1306153710198,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12961,60f396a4480adde54cc5331dd2e4cd03,QM7_C3NOH7_es,C3NOH7,,,0.0,-248.3576317953332,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12962,dcf13f5e9386fa5d019d448713e1502c,QM7_C5H10_es,C5H10,,,0.0,-196.3770346040559,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12963,cfdbbd2a747e4a552a099ede2258b389,QM7_C4OH10_es,C4OH10,,,0.0,-233.5038034220367,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12964,8ca1bdcbaca521188f3c60911289c7fc,QM7_C4OH8_es,C4OH8,,,0.0,-232.2629293879328,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12965,4f90b1c64cfc012c692a4b37329e43d6,QM7_C5H8_es,C5H8,,,0.0,-195.1533007007171,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12966,8d3f1f70122705055885f9a010da5994,QM7_C4NH3_es,C4NH3,,,0.0,-208.7377888483832,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12967,4295c2eacbc970a3f2470dd043dffed3,QM7_C4OH8_es,C4OH8,,,0.0,-232.265616276253,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12968,d9e1fbd5d7d51968cd60c2bdf10ca6a4,QM7_C4NH9_es,C4NH9,,,0.0,-212.393739892894,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12969,39de036d0b518e679681580eee0b3eb9,QM7_C4OH8_es,C4OH8,,,0.0,-232.3035627214498,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12970,a65ef6762c1355bb6850e4cd12abea03,QM7_C5H8_es,C5H8,,,0.0,-195.1405910288107,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12971,cd1b7053c5f01e5cf4004686008d45e6,QM7_C5H6_es,C5H6,,,0.0,-193.9018512470536,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12972,8bcf1cca493df445f4da99ca4fb92ab7,QM7_C4NH11_es,C4NH11,,,0.0,-213.6431720672326,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12973,f815ff1cc9b97a6013535b7e5ef21e61,QM7_C4OH6_es,C4OH6,,,0.0,-231.0686838211507,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12974,f6d77e3ed54f4dec943c5e860ffa58d7,QM7_C3NOH7_es,C3NOH7,,,0.0,-248.2918678572535,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12975,993ba8bc7a35cafc3a605e04d24aa28d,QM7_C4OH6_es,C4OH6,,,0.0,-231.06804199462616,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12976,8ec80702aee149e037d75c63044f117c,QM7_C5H4_es,C5H4,,,0.0,-192.6516400978029,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12977,9b2f6f48f0a209facd2f0be84d5e5bf9,QM7_C4NH5_es,C4NH5,,,0.0,-209.9871036822069,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12978,43cb76372a97fa8dadcee334ed508bdf,QM7_C3NOH9_es,C3NOH9,,,0.0,-249.518886008784,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12979,cabb36da172de5ee2256f12df24b6fd9,QM7_C4OH8_es,C4OH8,,,0.0,-232.2611354708533,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12980,6103197a84f6853a4295295fa65390a0,QM7_C3NOH5_es,C3NOH5,,,0.0,-247.1151077544086,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12981,c6e9a057b9d51fb879961474ac53ef45,QM7_C3NOH7_es,C3NOH7,,,0.0,-248.2929686457857,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12982,352e9a063118161bf38684c38c6240aa,QM7_C4NH7_es,C4NH7,,,0.0,-211.1535772149902,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12983,cb787f33f99454a60d5715db9d835f75,QM7_C5H8_es,C5H8,,,0.0,-195.14108255069817,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12984,bd932c08e139f07b10e8cd591a93309f,QM7_C4OH8_es,C4OH8,,,0.0,-232.2651942472918,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12985,42286e35efc18a5e3c110ab43eca4200,QM7_C3NOH7_es,C3NOH7,,,0.0,-248.31245253665688,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12986,2910958c26d8f776a66510da8a4435a7,QM7_C4OH8_es,C4OH8,,,0.0,-232.26082971667728,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12987,c6f434b5e49e9bfb06466bd15b6cea7b,QM7_C4NH9_es,C4NH9,,,0.0,-212.40424192410148,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12988,6a23909264f91374f3f8e94361e518d9,QM7_C3NOH3_es,C3NOH3,,,0.0,-245.7881636257663,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12989,f35fa1b074542c4adaa5b489886d4030,QM7_C3NOH9_es,C3NOH9,,,0.0,-249.5236688934297,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12990,3d398833dc1ae5d25a4a96290b025245,QM7_C3NOH9_es,C3NOH9,,,0.0,-249.5410182012104,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12991,1cadd591e9266a2d1bd5ff295cf2afc8,QM7_C4OH8_es,C4OH8,,,0.0,-232.2675401756066,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12992,34c7be7ca086bc26323743bd41f6580d,QM7_C4N2H6_es,C4N2H6,,,0.0,-265.2853379724429,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12993,3bc0fb21c4a572a8f19716ac8a087d0e,QM7_C5OH8_es,C5OH8,,,0.0,-270.3235906006482,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12994,2cf744dfd5ee51430abdeccc58a779eb,QM7_C4O2H8_es,C4O2H8,,,0.0,-307.42746574395727,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12995,b355f9bacd6c9b0a53daff38d8e28314,QM7_C5NH9_es,C5NH9,,,0.0,-250.4354106475893,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12996,9b14374e819b9a8fb6af7b2228ca645a,QM7_C4N2H12_es,C4N2H12,,,0.0,-268.9598577767563,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12997,c0fbb16dfdcf58e8a374639cc0668fe6,QM7_C5NH7_es,C5NH7,,,0.0,-249.20433695355868,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12998,10b0588939544a03b765e8c8c6903493,QM7_C4N2H10_es,C4N2H10,,,0.0,-267.7403328442451,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -12999,2a640e9649ffd220873ad35a566fbae9,QM7_C5OH12_es,C5OH12,,,0.0,-272.7803096393585,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13000,4ec267eeb9a6b9666195465f17efd2f9,QM7_C4N2H12_es,C4N2H12,,,0.0,-268.9596979173013,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13001,8bc0a4950ab633ea3558d414c14857fd,QM7_C4NOH7_es,C4NOH7,,,0.0,-286.440699717746,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13002,d56c8c56ebc99a0a934b442b34482583,QM7_C4NOH5_es,C4NOH5,,,0.0,-285.14731174242667,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13003,f9eb7eb6ac1c46c1f22f378a53d0b4d2,QM7_C5OH8_es,C5OH8,,,0.0,-270.2850832876348,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13004,fc71b7a0933f05388b8e8b52e9a9a886,QM7_C4O2H8_es,C4O2H8,,,0.0,-307.4465039025688,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13005,283597e14a6946e16448c39ed9868d39,QM7_C4N2H10_es,C4N2H10,,,0.0,-267.7513442942492,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13006,0ed3f056b73605d812c2452da1ea64f7,QM7_C4O2H6_es,C4O2H6,,,0.0,-306.2386595513161,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13007,dc8c543768903c65292a624aac829bad,QM7_C5OH8_es,C5OH8,,,0.0,-270.3161802145511,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13008,bc2e291773a98c3221a09a30f9fcc0c8,QM7_C5NH5_es,C5NH5,,,0.0,-248.0130247159026,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13009,9bd6907f3a9f02efabbc6e7ee6b93877,QM7_C5OH6_es,C5OH6,,,0.0,-269.0705809187039,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13010,a76498230fd408ed632640664202a11e,QM7_C4O2H4_es,C4O2H4,,,0.0,-305.0221395723166,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13011,3e20072335e8945296222c2dc25b75fe,QM7_C4N2H8_es,C4N2H8,,,0.0,-266.50735869691425,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13012,a420c5138e0e00b52b95a9e67601a553,QM7_C4O2H10_es,C4O2H10,,,0.0,-308.68024952795446,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13013,7df34834c773294150786b06f6d5d1a2,QM7_C4NOH7_es,C4NOH7,,,0.0,-286.35838220447846,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13014,4c3833266c783d0996e2918cfad36570,QM7_C6H8_es,C6H8,,,0.0,-233.18577821377508,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13015,5f9035f33a9cb621685f711347efefbf,QM7_C5NH13_es,C5NH13,,,0.0,-252.91668575230608,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13016,34294837c73690cb2312eaa1ec610f85,QM7_C5OH8_es,C5OH8,,,0.0,-270.3059461224899,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13017,5c0e209be35f556d5ddc8394185e6043,QM7_C5NH9_es,C5NH9,,,0.0,-250.4600587705923,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13018,4c34c7852f7c6ebe98921b5391c7cdb9,QM7_C4NOH5_es,C4NOH5,,,0.0,-285.0495455951745,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13019,642b12e9c608cace02dc1aee0d37a31b,QM7_C4NOH9_es,C4NOH9,,,0.0,-287.5861774934561,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13020,fdf7f74f5dfa318a6cc591bbc2e62f40,QM7_C4NOH7_es,C4NOH7,,,0.0,-286.383320095712,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13021,8dc5e777cfe1b9f279280507c36a1939,QM7_C4O2H8_es,C4O2H8,,,0.0,-307.483243427255,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13022,257c69fbffd0ea3ff94787c841a9af99,QM7_C4N2H6_es,C4N2H6,,,0.0,-265.3238498423695,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13023,cd1bbe80bebac07c4474e05d4a319391,QM7_C4N2H10_es,C4N2H10,,,0.0,-267.724891266126,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13024,2a9b620899adc11c929dce4d07a1c253,QM7_C5NH11_es,C5NH11,,,0.0,-251.69089028673588,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13025,b107b65fddf353ae7360b3031789c5a0,QM7_C4O2H6_es,C4O2H6,,,0.0,-306.26218634292815,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13026,16093914190747bf07d3ded040fb3e14,QM7_C5NH11_es,C5NH11,,,0.0,-251.7064657058056,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13027,4ba0c78496a3016ee85b117ea0e93074,QM7_C5NH11_es,C5NH11,,,0.0,-251.6722255010124,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13028,cfaf356c337f6d0b4c55b3daa297781d,QM7_C4NOH9_es,C4NOH9,,,0.0,-287.5790365164773,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13029,7bbc90b0c2b93ec3602e50bff08ad2af,QM7_C5NH13_es,C5NH13,,,0.0,-252.9258855720681,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13030,e35f7ec6ea4f0bcb57bc022ef2cc44c6,QM7_C4N2H8_es,C4N2H8,,,0.0,-266.508487966154,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13031,81fc45fd5585aa320027757a5303ba0b,QM7_C6H6_es,C6H6,,,0.0,-231.934508023197,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13032,5a57b2dc2b0aafe226ddc57d834761f1,QM7_C4N2H6_es,C4N2H6,,,0.0,-265.2911615972646,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13033,6c01c9ab2444f1b7ce776fa22c28ddbb,QM7_C5NH9_es,C5NH9,,,0.0,-250.44674475644737,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13034,c90aabe022a583f5b62e1836d3b55ad4,QM7_C5OH6_es,C5OH6,,,0.0,-269.0593991724436,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13035,f8be6e01fe132f6b7493be07770772e8,QM7_C4N2H10_es,C4N2H10,,,0.0,-267.7176835891677,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13036,01ddaf57dc2317b5881c65972fa1c629,QM7_C5NH11_es,C5NH11,,,0.0,-251.67795460663447,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13037,9920c3f8e73a25e93e32366decebfc9c,QM7_C5NH11_es,C5NH11,,,0.0,-251.6822596401323,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13038,0c63a06474af5c31f4173896d267830d,QM7_C5NH7_es,C5NH7,,,0.0,-249.2681472621011,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13039,fa625f549c189bc2ca2c267a2a5b4e15,QM7_C4NOH7_es,C4NOH7,,,0.0,-286.4065919941793,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13040,9b4b11f0b6036e72757036717261320b,QM7_C4NOH5_es,C4NOH5,,,0.0,-285.1404655683325,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13041,1a09a9be1fd4045b0bcfd25e3ef74c37,QM7_C4NOH9_es,C4NOH9,,,0.0,-287.5791413622302,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13042,7cc1193ea752f23749f04b442edac4d4,QM7_C4N2H8_es,C4N2H8,,,0.0,-266.5352301377696,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13043,afac5a12961fd4ade45dfa6c937f2219,QM7_C4O2H8_es,C4O2H8,,,0.0,-307.46696278911827,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13044,ab7c28764d3a2b2d05d84fee5697b138,QM7_C5OH10_es,C5OH10,,,0.0,-271.539298089374,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13045,ba809922e816244821068c6047e241f8,QM7_C4O2H6_es,C4O2H6,,,0.0,-306.2459621517163,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13046,c6403cab735b5898150d17e1eebcbc52,QM7_C5OH10_es,C5OH10,,,0.0,-271.5573205340828,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13047,ac5e0941bdbe7544a9e69f30261a8124,QM7_C6H10_es,C6H10,,,0.0,-234.42438602879588,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13048,5fbd2d3de1d236d65894c13cb625575c,QM7_C4N2H8_es,C4N2H8,,,0.0,-266.46394924777667,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13049,6930901dd7e2b1f93db41ef5c421fc17,QM7_C4NOH5_es,C4NOH5,,,0.0,-285.1495562794228,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13050,1ce314670d493ff5e7a0759e17e5d867,QM7_C4O2H8_es,C4O2H8,,,0.0,-307.4527410305141,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13051,0a7b43734cfbb2d32c359741701580f9,QM7_C4NOH9_es,C4NOH9,,,0.0,-287.5779059977614,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13052,72bb0543d8604e64926757717928ba3e,QM7_C5NH9_es,C5NH9,,,0.0,-250.49300359930984,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13053,975050477b24dffc201501388d7cefd9,QM7_C5NH11_es,C5NH11,,,0.0,-251.680900981762,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13054,461981862e3717f01280b27ae69dc106,QM7_C5NH9_es,C5NH9,,,0.0,-250.4387146301551,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13055,a93af340454fcb048f9e409edfe076f5,QM7_C5OH10_es,C5OH10,,,0.0,-271.5850646018643,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13056,31c084b303e274ecb232dcf17f37685f,QM7_C5NH11_es,C5NH11,,,0.0,-251.6900184095934,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13057,7cd3e718f3ca2824de43e7b7cdc3be73,QM7_C5N2H8_es,C5N2H8,,,0.0,-304.573721600274,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13058,156c28a4cc47520f6631fa5bbe01085c,QM7_C7H8_es,C7H8,,,0.0,-271.1988860895356,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13059,477af731ed17ff6b8c03df346c3cad3d,QM7_C5N2H8_es,C5N2H8,,,0.0,-304.5795291289023,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13060,7e91bbf6a32feb4fab9b02d0739f0ce0,QM7_C4N2OH8_es,C4N2OH8,,,0.0,-341.64295266398284,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13061,ec72cd5f2ceffb8412c726bc328f8c88,QM7_C6OH12_es,C6OH12,,,0.0,-310.856123580695,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13062,2cf78caafe7ae87acd92502eeb30f584,QM7_C4N2OH10_es,C4N2OH10,,,0.0,-342.888332309264,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13063,cea2464f1625336bb12a7a42ad7839db,QM7_C4N2OH8_es,C4N2OH8,,,0.0,-341.67772312442577,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13064,c0db5472ea47d574d37cf82f660734d1,QM7_C5NOH9_es,C5NOH9,,,0.0,-325.6271811381085,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13065,4a0384ac2343a8e9b9a684e731455b68,QM7_C7H10_es,C7H10,,,0.0,-272.4626913193465,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13066,83ef3f3ff2ccd1bc0dcef66f6290bebe,QM7_C7H12_es,C7H12,,,0.0,-273.7516037811653,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13067,f8e0fcf7b113c44652404a2346d9a1ab,QM7_C6NH11_es,C6NH11,,,0.0,-289.7249900608931,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13068,fba91ad88a03a89c1d8a978e6270f153,QM7_C6OH8_es,C6OH8,,,0.0,-308.44197956151646,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13069,feb4be8936e2ce8673b4bce3995750f5,QM7_C5NOH11_es,C5NOH11,,,0.0,-326.8894961838044,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13070,14c5360931256721dcd3233cacdc6886,QM7_C5NOH5_es,C5NOH5,,,0.0,-323.2043998574524,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13071,bdc01eda3ca9e0829bb22e1c6c4698a6,QM7_C6NH7_es,C6NH7,,,0.0,-287.2347629001949,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13072,caae29f1d7756b9e1ef731ca2866fbda,QM7_C4NO2H5_es,C4NO2H5,,,0.0,-360.31322509472216,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13073,01ffe22b6e0a9483d737556989d042b8,QM7_C7H14_es,C7H14,,,0.0,-274.95124748937366,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13074,cfc25fdc0eedea71a824128aa0ecbe67,QM7_C4N2OH6_es,C4N2OH6,,,0.0,-340.4537836455028,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13075,bf5039aba6880551bd2a259937dd1c1c,QM7_C6OH10_es,C6OH10,,,0.0,-309.5959959268337,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13076,c6bdb25f087150e5607995b310d87a1c,QM7_C5N2H8_es,C5N2H8,,,0.0,-304.5288471035426,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13077,e4e234822863e57b12abbc0b6dbf1994,QM7_C6NH9_es,C6NH9,,,0.0,-288.4820759996476,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13078,5bf89a97b3629b284a6eddcb06236850,QM7_C6NH9_es,C6NH9,,,0.0,-288.4722101355724,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13079,1aee60a585f36d9adefccfacf6551442,QM7_C5N2H12_es,C5N2H12,,,0.0,-307.00988726998446,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13080,c488178f546c944365caf4e369dbb8c8,QM7_C5O2H8_es,C5O2H8,,,0.0,-345.4764968322031,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13081,e1b50228f3374af6a398e0f720a152e8,QM7_C5N2H8_es,C5N2H8,,,0.0,-304.56790025390893,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13082,cc2c8205295f422fabed2d404afc13bb,QM7_C5NOH9_es,C5NOH9,,,0.0,-325.6657049148083,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13083,174527a9115f40e4339deeb8f49dc131,QM7_C7H14_es,C7H14,,,0.0,-274.9472091087967,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13084,46f9fed73a48325495009e28dc42a52b,QM7_C5NOH9_es,C5NOH9,,,0.0,-325.6543854689209,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13085,647243048486bcc1ef286e31063cd50a,QM7_C5NOH7_es,C5NOH7,,,0.0,-324.3983235371158,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13086,73c4e657521f7346619b63db6326c7c8,QM7_C7H8_es,C7H8,,,0.0,-271.2284657481028,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13087,d24077038e62143c99a9a87126b4ec82,QM7_C6OH10_es,C6OH10,,,0.0,-309.5968144439926,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13088,947dfba5d93a55e1fceb1902bedee869,QM7_C5O2H8_es,C5O2H8,,,0.0,-345.5046262163951,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13089,75e6bc493c5cc3d6f2e6d4836e41de47,QM7_C5NOH9_es,C5NOH9,,,0.0,-325.6804710040441,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13090,aa146e9e6da20597c0acee1896d75c3d,QM7_C5NOH7_es,C5NOH7,,,0.0,-324.37395522328296,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13091,9b386345b68c71bfe3e84d71aa22cb52,QM7_C5N2H12_es,C5N2H12,,,0.0,-307.0175542029449,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13092,d9e16036cf7597d2e6a7ed0b5c3df82b,QM7_C5NOH9_es,C5NOH9,,,0.0,-325.70052825749383,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13093,ca0cebdacbf4a7bc15cfec43fa2f2ca1,QM7_C6NH13_es,C6NH13,,,0.0,-290.96327499656405,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13094,bf37cda5f42592d88500d4355637aa52,QM7_C6OH6_es,C6OH6,,,0.0,-307.16025349881124,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13095,19b3adcc173d4e1de026e4fbca985618,QM7_C5NOH11_es,C5NOH11,,,0.0,-326.8652211029457,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13096,767842436beacf27c16520a31dcb35d5,QM7_C5NOH7_es,C5NOH7,,,0.0,-324.4604112957193,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13097,bfb2a5dbd68a72149b40e683f4864608,QM7_C4N2OH12_es,C4N2OH12,,,0.0,-344.1251555782768,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13098,f22cc4c1a59b2167118d1b25bfbed212,QM7_C6NH11_es,C6NH11,,,0.0,-289.7109950822192,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13099,c7fd5f7f97e1215a0195166f4d663d82,QM7_C4NO2H5_es,C4NO2H5,,,0.0,-360.3226512901722,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13100,81f157b560439706aa11bbfa97dc36d3,QM7_C5N2H8_es,C5N2H8,,,0.0,-304.5731383153844,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13101,6a815794f51bc3c2f3e4013762fdab4c,QM7_C5N2H12_es,C5N2H12,,,0.0,-306.9881607163315,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13102,f92c2fa0b54ca6cf82ee29aa3a40c79b,QM7_C5O2H10_es,C5O2H10,,,0.0,-346.76430380157933,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13103,51a9c4120e910a4ba97e40d7eae82340,QM7_C5NOH9_es,C5NOH9,,,0.0,-325.6382181288761,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13104,1c4fd5bb5c3c04362df2c9b0e1b995bc,QM7_C5NOH11_es,C5NOH11,,,0.0,-326.8504355733302,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13105,bb960a5032e58849c84a82667bdbc35e,QM7_C5N2H12_es,C5N2H12,,,0.0,-307.00464468834514,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13106,30c819bf4f4762831bf9866b608809e3,QM7_C6OH10_es,C6OH10,,,0.0,-309.63498098074706,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13107,6116a8271a3731818a89bd248df7ede9,QM7_C5NOH9_es,C5NOH9,,,0.0,-325.6570222679452,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13108,e3bb88d87e3b0c99d17be0db6a4dda78,QM7_C5NOH7_es,C5NOH7,,,0.0,-324.3418686009684,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13109,7ac353465fe778a346e2c96e8313e902,QM7_C5NOH7_es,C5NOH7,,,0.0,-324.3738718391213,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13110,798bd0f0b1cce35011692f5080c7f6a9,QM7_C5NOH11_es,C5NOH11,,,0.0,-326.8809001917907,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13111,b4abe941738a3f5504eb36f60c2a5d17,QM7_C5NOH7_es,C5NOH7,,,0.0,-324.43252497139747,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13112,e9f88f9452f31d0d3c1f0b5e5e804787,QM7_C5O2H10_es,C5O2H10,,,0.0,-346.72697445062806,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13113,5ffa4f85f4b7101ee7a5c4f2a1934f5b,QM7_C5N2H14_es,C5N2H14,,,0.0,-308.231480857342,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13114,84f9375458c8e9883e5f3d34c6c7802f,QM7_C5O2H8_es,C5O2H8,,,0.0,-345.5366263308575,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13115,c3b6f7a17c476c3c2573fe58484ef597,QM7_C6OH12_es,C6OH12,,,0.0,-310.8655355541659,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13116,c0f8553d717bc02e1621f2eb5536847a,QM7_C4N3H3_es,C4N3H3,,,0.0,-318.2338800478236,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13117,443ab0c7cd18e2b43681f2c0188eb8c9,QM7_C5N2H6_es,C5N2H6,,,0.0,-303.28837789972744,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13118,d499e713c311f8698cd33bcc7f031176,QM7_C4N2OH8_es,C4N2OH8,,,0.0,-341.63659775453107,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13119,60a8d7a16454e2d7bcf63c5c4f10a6df,QM7_C6NH13_es,C6NH13,,,0.0,-290.9678943468248,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13120,b544a0cb40b440066277aee7ca93c0d9,QM7_C4N2OH8_es,C4N2OH8,,,0.0,-341.63847887769947,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13121,69fc2b29c22cb8596ee88048aa9ccc26,QM7_C5N2H8_es,C5N2H8,,,0.0,-304.52937386800875,,,ePBE0+MBD_QM7X,QM7X_Hojaetal,indep,,,,,,,,,,, -13122,02d53cc1cbf815a7dbd0f19c53446f7f,molecules_file_Benzene_C6H6,,0.0,eval,0.0,-232.07350814819333,,,2023-05-11_reuse_midimol_699torsions_256k_largescale_qm7,gnn_phisnet,reuse,gnn_phisnet,,,,1.0,0.0,,1500.0,,, -13123,69fc2b29c22cb8596ee88048aa9ccc26,QM7_C5N2H8_es,,0.0,eval,0.0,-303.4413099975586,,,2023-05-11_reuse_midimol_699torsions_256k_largescale_qm7,gnn_phisnet,reuse,gnn_phisnet,,,,1.0,0.0,,1500.0,,, -13124,b544a0cb40b440066277aee7ca93c0d9,QM7_C4N2OH8_es,,0.0,eval,0.0,-340.34948321533204,,,2023-05-11_reuse_midimol_699torsions_256k_largescale_qm7,gnn_phisnet,reuse,gnn_phisnet,,,,1.0,0.0,,1500.0,,, -13125,60a8d7a16454e2d7bcf63c5c4f10a6df,QM7_C6NH13_es,,0.0,eval,0.0,-290.6229631958008,,,2023-05-11_reuse_midimol_699torsions_256k_largescale_qm7,gnn_phisnet,reuse,gnn_phisnet,,,,1.0,0.0,,1500.0,,, -13126,d499e713c311f8698cd33bcc7f031176,QM7_C4N2OH8_es,,0.0,eval,0.0,-340.8744865112305,,,2023-05-11_reuse_midimol_699torsions_256k_largescale_qm7,gnn_phisnet,reuse,gnn_phisnet,,,,1.0,0.0,,1500.0,,, -13127,443ab0c7cd18e2b43681f2c0188eb8c9,QM7_C5N2H6_es,,0.0,eval,0.0,-302.7514361572266,,,2023-05-11_reuse_midimol_699torsions_256k_largescale_qm7,gnn_phisnet,reuse,gnn_phisnet,,,,1.0,0.0,,1500.0,,, -13128,c0f8553d717bc02e1621f2eb5536847a,QM7_C4N3H3_es,,0.0,eval,0.0,-317.6040773925781,,,2023-05-11_reuse_midimol_699torsions_256k_largescale_qm7,gnn_phisnet,reuse,gnn_phisnet,,,,1.0,0.0,,1500.0,,, -13129,c3b6f7a17c476c3c2573fe58484ef597,QM7_C6OH12_es,,0.0,eval,0.0,-310.57710345458986,,,2023-05-11_reuse_midimol_699torsions_256k_largescale_qm7,gnn_phisnet,reuse,gnn_phisnet,,,,1.0,0.0,,1500.0,,, -13130,84f9375458c8e9883e5f3d34c6c7802f,QM7_C5O2H8_es,,0.0,eval,0.0,-345.0056199951172,,,2023-05-11_reuse_midimol_699torsions_256k_largescale_qm7,gnn_phisnet,reuse,gnn_phisnet,,,,1.0,0.0,,1500.0,,, -13131,5ffa4f85f4b7101ee7a5c4f2a1934f5b,QM7_C5N2H14_es,,0.0,eval,0.0,-307.17675494384764,,,2023-05-11_reuse_midimol_699torsions_256k_largescale_qm7,gnn_phisnet,reuse,gnn_phisnet,,,,1.0,0.0,,1500.0,,, -13132,e9f88f9452f31d0d3c1f0b5e5e804787,QM7_C5O2H10_es,,0.0,eval,0.0,-346.4198221435547,,,2023-05-11_reuse_midimol_699torsions_256k_largescale_qm7,gnn_phisnet,reuse,gnn_phisnet,,,,1.0,0.0,,1500.0,,, -13133,b4abe941738a3f5504eb36f60c2a5d17,QM7_C5NOH7_es,,0.0,eval,0.0,-323.27225,,,2023-05-11_reuse_midimol_699torsions_256k_largescale_qm7,gnn_phisnet,reuse,gnn_phisnet,,,,1.0,0.0,,1500.0,,, -13134,7ac353465fe778a346e2c96e8313e902,QM7_C5NOH7_es,,0.0,eval,0.0,-324.0722684326172,,,2023-05-11_reuse_midimol_699torsions_256k_largescale_qm7,gnn_phisnet,reuse,gnn_phisnet,,,,1.0,0.0,,1500.0,,, -13135,798bd0f0b1cce35011692f5080c7f6a9,QM7_C5NOH11_es,,0.0,eval,0.0,-326.73128924560547,,,2023-05-11_reuse_midimol_699torsions_256k_largescale_qm7,gnn_phisnet,reuse,gnn_phisnet,,,,1.0,0.0,,1500.0,,, -13136,e3bb88d87e3b0c99d17be0db6a4dda78,QM7_C5NOH7_es,,0.0,eval,0.0,-322.4820341796875,,,2023-05-11_reuse_midimol_699torsions_256k_largescale_qm7,gnn_phisnet,reuse,gnn_phisnet,,,,1.0,0.0,,1500.0,,, -13137,6116a8271a3731818a89bd248df7ede9,QM7_C5NOH9_es,,0.0,eval,0.0,-325.3990380859375,,,2023-05-11_reuse_midimol_699torsions_256k_largescale_qm7,gnn_phisnet,reuse,gnn_phisnet,,,,1.0,0.0,,1500.0,,, -13138,30c819bf4f4762831bf9866b608809e3,QM7_C6OH10_es,,0.0,eval,0.0,-308.1950177612305,,,2023-05-11_reuse_midimol_699torsions_256k_largescale_qm7,gnn_phisnet,reuse,gnn_phisnet,,,,1.0,0.0,,1500.0,,, -13139,bb960a5032e58849c84a82667bdbc35e,QM7_C5N2H12_es,,0.0,eval,0.0,-306.63238262939456,,,2023-05-11_reuse_midimol_699torsions_256k_largescale_qm7,gnn_phisnet,reuse,gnn_phisnet,,,,1.0,0.0,,1500.0,,, -13140,1c4fd5bb5c3c04362df2c9b0e1b995bc,QM7_C5NOH11_es,,0.0,eval,0.0,-326.5258623046875,,,2023-05-11_reuse_midimol_699torsions_256k_largescale_qm7,gnn_phisnet,reuse,gnn_phisnet,,,,1.0,0.0,,1500.0,,, -13141,51a9c4120e910a4ba97e40d7eae82340,QM7_C5NOH9_es,,0.0,eval,0.0,-324.8287362670898,,,2023-05-11_reuse_midimol_699torsions_256k_largescale_qm7,gnn_phisnet,reuse,gnn_phisnet,,,,1.0,0.0,,1500.0,,, -13142,f92c2fa0b54ca6cf82ee29aa3a40c79b,QM7_C5O2H10_es,,0.0,eval,0.0,-345.727006652832,,,2023-05-11_reuse_midimol_699torsions_256k_largescale_qm7,gnn_phisnet,reuse,gnn_phisnet,,,,1.0,0.0,,1500.0,,, -13143,6a815794f51bc3c2f3e4013762fdab4c,QM7_C5N2H12_es,,0.0,eval,0.0,-305.7877327880859,,,2023-05-11_reuse_midimol_699torsions_256k_largescale_qm7,gnn_phisnet,reuse,gnn_phisnet,,,,1.0,0.0,,1500.0,,, -13144,81f157b560439706aa11bbfa97dc36d3,QM7_C5N2H8_es,,0.0,eval,0.0,-303.53827630615234,,,2023-05-11_reuse_midimol_699torsions_256k_largescale_qm7,gnn_phisnet,reuse,gnn_phisnet,,,,1.0,0.0,,1500.0,,, -13145,c7fd5f7f97e1215a0195166f4d663d82,QM7_C4NO2H5_es,,0.0,eval,0.0,-359.56745904541015,,,2023-05-11_reuse_midimol_699torsions_256k_largescale_qm7,gnn_phisnet,reuse,gnn_phisnet,,,,1.0,0.0,,1500.0,,, -13146,f22cc4c1a59b2167118d1b25bfbed212,QM7_C6NH11_es,,0.0,eval,0.0,-287.07662127685546,,,2023-05-11_reuse_midimol_699torsions_256k_largescale_qm7,gnn_phisnet,reuse,gnn_phisnet,,,,1.0,0.0,,1500.0,,, -13147,bfb2a5dbd68a72149b40e683f4864608,QM7_C4N2OH12_es,,0.0,eval,0.0,-343.4773298950195,,,2023-05-11_reuse_midimol_699torsions_256k_largescale_qm7,gnn_phisnet,reuse,gnn_phisnet,,,,1.0,0.0,,1500.0,,, -13148,767842436beacf27c16520a31dcb35d5,QM7_C5NOH7_es,,0.0,eval,0.0,-324.03477075195315,,,2023-05-11_reuse_midimol_699torsions_256k_largescale_qm7,gnn_phisnet,reuse,gnn_phisnet,,,,1.0,0.0,,1500.0,,, -13149,19b3adcc173d4e1de026e4fbca985618,QM7_C5NOH11_es,,0.0,eval,0.0,-326.46232055664063,,,2023-05-11_reuse_midimol_699torsions_256k_largescale_qm7,gnn_phisnet,reuse,gnn_phisnet,,,,1.0,0.0,,1500.0,,, -13150,bf37cda5f42592d88500d4355637aa52,QM7_C6OH6_es,,0.0,eval,0.0,-306.1146305541992,,,2023-05-11_reuse_midimol_699torsions_256k_largescale_qm7,gnn_phisnet,reuse,gnn_phisnet,,,,1.0,0.0,,1500.0,,, -13151,ca0cebdacbf4a7bc15cfec43fa2f2ca1,QM7_C6NH13_es,,0.0,eval,0.0,-290.4138818359375,,,2023-05-11_reuse_midimol_699torsions_256k_largescale_qm7,gnn_phisnet,reuse,gnn_phisnet,,,,1.0,0.0,,1500.0,,, -13152,d9e16036cf7597d2e6a7ed0b5c3df82b,QM7_C5NOH9_es,,0.0,eval,0.0,-325.2093669433594,,,2023-05-11_reuse_midimol_699torsions_256k_largescale_qm7,gnn_phisnet,reuse,gnn_phisnet,,,,1.0,0.0,,1500.0,,, -13153,9b386345b68c71bfe3e84d71aa22cb52,QM7_C5N2H12_es,,0.0,eval,0.0,-306.8951861572266,,,2023-05-11_reuse_midimol_699torsions_256k_largescale_qm7,gnn_phisnet,reuse,gnn_phisnet,,,,1.0,0.0,,1500.0,,, -13154,aa146e9e6da20597c0acee1896d75c3d,QM7_C5NOH7_es,,0.0,eval,0.0,-324.0661877441406,,,2023-05-11_reuse_midimol_699torsions_256k_largescale_qm7,gnn_phisnet,reuse,gnn_phisnet,,,,1.0,0.0,,1500.0,,, -13155,75e6bc493c5cc3d6f2e6d4836e41de47,QM7_C5NOH9_es,,0.0,eval,0.0,-325.07776196289063,,,2023-05-11_reuse_midimol_699torsions_256k_largescale_qm7,gnn_phisnet,reuse,gnn_phisnet,,,,1.0,0.0,,1500.0,,, -13156,947dfba5d93a55e1fceb1902bedee869,QM7_C5O2H8_es,,0.0,eval,0.0,-345.0266281738281,,,2023-05-11_reuse_midimol_699torsions_256k_largescale_qm7,gnn_phisnet,reuse,gnn_phisnet,,,,1.0,0.0,,1500.0,,, -13157,d24077038e62143c99a9a87126b4ec82,QM7_C6OH10_es,,0.0,eval,0.0,-309.135883972168,,,2023-05-11_reuse_midimol_699torsions_256k_largescale_qm7,gnn_phisnet,reuse,gnn_phisnet,,,,1.0,0.0,,1500.0,,, -13158,73c4e657521f7346619b63db6326c7c8,QM7_C7H8_es,,0.0,eval,0.0,-270.2708565673828,,,2023-05-11_reuse_midimol_699torsions_256k_largescale_qm7,gnn_phisnet,reuse,gnn_phisnet,,,,1.0,0.0,,1500.0,,, -13159,647243048486bcc1ef286e31063cd50a,QM7_C5NOH7_es,,0.0,eval,0.0,-323.788328125,,,2023-05-11_reuse_midimol_699torsions_256k_largescale_qm7,gnn_phisnet,reuse,gnn_phisnet,,,,1.0,0.0,,1500.0,,, -13160,46f9fed73a48325495009e28dc42a52b,QM7_C5NOH9_es,,0.0,eval,0.0,-324.57343212890623,,,2023-05-11_reuse_midimol_699torsions_256k_largescale_qm7,gnn_phisnet,reuse,gnn_phisnet,,,,1.0,0.0,,1500.0,,, -13161,174527a9115f40e4339deeb8f49dc131,QM7_C7H14_es,,0.0,eval,0.0,-274.6080065307617,,,2023-05-11_reuse_midimol_699torsions_256k_largescale_qm7,gnn_phisnet,reuse,gnn_phisnet,,,,1.0,0.0,,1500.0,,, -13162,cc2c8205295f422fabed2d404afc13bb,QM7_C5NOH9_es,,0.0,eval,0.0,-324.9168908691406,,,2023-05-11_reuse_midimol_699torsions_256k_largescale_qm7,gnn_phisnet,reuse,gnn_phisnet,,,,1.0,0.0,,1500.0,,, -13163,e1b50228f3374af6a398e0f720a152e8,QM7_C5N2H8_es,,0.0,eval,0.0,-303.80705603027343,,,2023-05-11_reuse_midimol_699torsions_256k_largescale_qm7,gnn_phisnet,reuse,gnn_phisnet,,,,1.0,0.0,,1500.0,,, -13164,c488178f546c944365caf4e369dbb8c8,QM7_C5O2H8_es,,0.0,eval,0.0,-344.39818829345705,,,2023-05-11_reuse_midimol_699torsions_256k_largescale_qm7,gnn_phisnet,reuse,gnn_phisnet,,,,1.0,0.0,,1500.0,,, -13165,1aee60a585f36d9adefccfacf6551442,QM7_C5N2H12_es,,0.0,eval,0.0,-306.77508337402344,,,2023-05-11_reuse_midimol_699torsions_256k_largescale_qm7,gnn_phisnet,reuse,gnn_phisnet,,,,1.0,0.0,,1500.0,,, -13166,5bf89a97b3629b284a6eddcb06236850,QM7_C6NH9_es,,0.0,eval,0.0,-287.4523139038086,,,2023-05-11_reuse_midimol_699torsions_256k_largescale_qm7,gnn_phisnet,reuse,gnn_phisnet,,,,1.0,0.0,,1500.0,,, -13167,e4e234822863e57b12abbc0b6dbf1994,QM7_C6NH9_es,,0.0,eval,0.0,-288.23253540039065,,,2023-05-11_reuse_midimol_699torsions_256k_largescale_qm7,gnn_phisnet,reuse,gnn_phisnet,,,,1.0,0.0,,1500.0,,, -13168,c6bdb25f087150e5607995b310d87a1c,QM7_C5N2H8_es,,0.0,eval,0.0,-303.13886688232424,,,2023-05-11_reuse_midimol_699torsions_256k_largescale_qm7,gnn_phisnet,reuse,gnn_phisnet,,,,1.0,0.0,,1500.0,,, 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-13359,b06781596426edeb68a824ed84696e81,QM7_C4H8_es,,0.0,eval,0.0,-157.17783755493164,,,2023-05-11_reuse_midimol_699torsions_256k_largescale_qm7,gnn_phisnet,reuse,gnn_phisnet,,,,1.0,0.0,,1500.0,,, -13360,99b39d93b42775a4777380137e88b8de,QM7_C3H4_es,,0.0,eval,0.0,-116.64337533569336,,,2023-05-11_reuse_midimol_699torsions_256k_largescale_qm7,gnn_phisnet,reuse,gnn_phisnet,,,,1.0,0.0,,1500.0,,, -13361,2d48b769ead326a0672482962034126a,QM7_C3H6_es,,0.0,eval,0.0,-117.88697831726074,,,2023-05-11_reuse_midimol_699torsions_256k_largescale_qm7,gnn_phisnet,reuse,gnn_phisnet,,,,1.0,0.0,,1500.0,,, -13362,4f14fd152b2775e365acc1c6fd010571,QM7_C3H8_es,,0.0,eval,0.0,-119.12458421325684,,,2023-05-11_reuse_midimol_699torsions_256k_largescale_qm7,gnn_phisnet,reuse,gnn_phisnet,,,,1.0,0.0,,1500.0,,, -13363,16174b01b269e57f0f586ce2bc0f4670,QM7_C2OH6_es,,0.0,eval,0.0,-155.00581240844727,,,2023-05-11_reuse_midimol_699torsions_256k_largescale_qm7,gnn_phisnet,reuse,gnn_phisnet,,,,1.0,0.0,,1500.0,,, -13364,57bb9cb50fb946f0a016a9727feea628,QM7_C2OH4_es,,0.0,eval,0.0,-153.81334075927734,,,2023-05-11_reuse_midimol_699torsions_256k_largescale_qm7,gnn_phisnet,reuse,gnn_phisnet,,,,1.0,0.0,,1500.0,,, -13365,853b676dacf9d7d17b654d7529c42722,QM7_C2OH6_es,,0.0,eval,0.0,-155.02954656982422,,,2023-05-11_reuse_midimol_699torsions_256k_largescale_qm7,gnn_phisnet,reuse,gnn_phisnet,,,,1.0,0.0,,1500.0,,, -13366,44b4330b5978c4357958375e9f5297ea,QM7_C2OH4_es,,0.0,eval,0.0,-153.7711247253418,,,2023-05-11_reuse_midimol_699torsions_256k_largescale_qm7,gnn_phisnet,reuse,gnn_phisnet,,,,1.0,0.0,,1500.0,,, -13367,cdc969ca76610c6d6da05127ff8c6fcb,QM7_C2NH7_es,,0.0,eval,0.0,-135.1601852722168,,,2023-05-11_reuse_midimol_699torsions_256k_largescale_qm7,gnn_phisnet,reuse,gnn_phisnet,,,,1.0,0.0,,1500.0,,, -13368,f2b8b64a0cc99268bfe40f35f85b7472,C2H2_smiles_C#C_es,,0.0,eval,0.0,-77.3236810913086,,,2023-05-11_reuse_midimol_699torsions_256k_largescale_qm7,gnn_phisnet,reuse,gnn_phisnet,,,,1.0,0.0,,1500.0,,, -13369,ba02983b9dc30f345dcf0fd4121bdb99,QM7_C2NH3_es,,0.0,eval,0.0,-132.73850006103515,,,2023-05-11_reuse_midimol_699torsions_256k_largescale_qm7,gnn_phisnet,reuse,gnn_phisnet,,,,1.0,0.0,,1500.0,,, -13370,092ac1f82f72dba2c49226739f9649c3,QM7_C2NH7_es,,0.0,eval,0.0,-135.14632901000977,,,2023-05-11_reuse_midimol_699torsions_256k_largescale_qm7,gnn_phisnet,reuse,gnn_phisnet,,,,1.0,0.0,,1500.0,,, -13371,43b92d866504253d847cf2d1406481df,QM7_C2H6_es,,0.0,eval,0.0,-79.81633616638183,,,2023-05-11_reuse_midimol_699torsions_256k_largescale_qm7,gnn_phisnet,reuse,gnn_phisnet,,,,1.0,0.0,,1500.0,,, -13572,089ae2b9292b76eca5aedd9fc1111854,C2_dimer_2.2,C2,,,,-75.785788904986,,,CCSD(T)_ccpCVDZ,orca_CCSD(T)_ccpCVDZ,indep,,,,,,,,,,, -13574,10f739144fc27142afcb0e35a607bb49,C2_dimer_3.6,C2,,,,-75.670719619462,,,CCSD(T)_ccpCVDZ,orca_CCSD(T)_ccpCVDZ,indep,,,,,,,,,,, -13576,3b3a25096390e61372de0ca773c8eaf2,C2_dimer_2.3,C2,,,,-75.800077950887,,,CCSD(T)_ccpCVDZ,orca_CCSD(T)_ccpCVDZ,indep,,,,,,,,,,, -13578,3fa972bb433099446dfea54e900b0d7b,C2_dimer_3.9,C2,,,,-75.646290925115,,,CCSD(T)_ccpCVDZ,orca_CCSD(T)_ccpCVDZ,indep,,,,,,,,,,, -13580,5443cb209f3807b9232633a33996f45c,C2_dimer_2.7,C2,,,,-75.778814834051,,,CCSD(T)_ccpCVDZ,orca_CCSD(T)_ccpCVDZ,indep,,,,,,,,,,, -13582,689dfc79d74b1d149fcf2feb22949afd,C2_dimer_2.1,C2,,,,-75.757466274716,,,CCSD(T)_ccpCVDZ,orca_CCSD(T)_ccpCVDZ,indep,,,,,,,,,,, -13584,9b7a715152366943116e88cdfb7d2157,C2_dimer_4.2,C2,,,,-75.627657271309,,,CCSD(T)_ccpCVDZ,orca_CCSD(T)_ccpCVDZ,indep,,,,,,,,,,, -13586,b36f3860e297d58a8e473b12c9fb234d,C2_dimer_3.0,C2,,,,-75.726636154937,,,CCSD(T)_ccpCVDZ,orca_CCSD(T)_ccpCVDZ,indep,,,,,,,,,,, -13588,c0252b6b51f3d5cb890808a1a6b2b761,C2_dimer_2.4,C2,,,,-75.803977793372,,,CCSD(T)_ccpCVDZ,orca_CCSD(T)_ccpCVDZ,indep,,,,,,,,,,, -13590,fee115442f8ec1f3d2b01a0f7848e384,C2_dimer_3.3,C2,,,,-75.698951257341,,,CCSD(T)_ccpCVDZ,orca_CCSD(T)_ccpCVDZ,indep,,,,,,,,,,, -13592,089ae2b9292b76eca5aedd9fc1111854,C2_dimer_2.2,C2,,,,-75.872538546021,,,CCSD(T)_ccpCVTZ,orca_CCSD(T)_ccpCVTZ,indep,,,,,,,,,,, -13594,10f739144fc27142afcb0e35a607bb49,C2_dimer_3.6,C2,,,,-75.743249343346,,,CCSD(T)_ccpCVTZ,orca_CCSD(T)_ccpCVTZ,indep,,,,,,,,,,, -13596,3b3a25096390e61372de0ca773c8eaf2,C2_dimer_2.3,C2,,,,-75.882541401706,,,CCSD(T)_ccpCVTZ,orca_CCSD(T)_ccpCVTZ,indep,,,,,,,,,,, -13598,3fa972bb433099446dfea54e900b0d7b,C2_dimer_3.9,C2,,,,-75.716993257861,,,CCSD(T)_ccpCVTZ,orca_CCSD(T)_ccpCVTZ,indep,,,,,,,,,,, -13600,5443cb209f3807b9232633a33996f45c,C2_dimer_2.7,C2,,,,-75.851908748373,,,CCSD(T)_ccpCVTZ,orca_CCSD(T)_ccpCVTZ,indep,,,,,,,,,,, -13602,689dfc79d74b1d149fcf2feb22949afd,C2_dimer_2.1,C2,,,,-75.849596736125,,,CCSD(T)_ccpCVTZ,orca_CCSD(T)_ccpCVTZ,indep,,,,,,,,,,, -13604,9b7a715152366943116e88cdfb7d2157,C2_dimer_4.2,C2,,,,-75.696226795325,,,CCSD(T)_ccpCVTZ,orca_CCSD(T)_ccpCVTZ,indep,,,,,,,,,,, -13606,b36f3860e297d58a8e473b12c9fb234d,C2_dimer_3.0,C2,,,,-75.803097008257,,,CCSD(T)_ccpCVTZ,orca_CCSD(T)_ccpCVTZ,indep,,,,,,,,,,, -13608,c0252b6b51f3d5cb890808a1a6b2b761,C2_dimer_2.4,C2,,,,-75.883089742056,,,CCSD(T)_ccpCVTZ,orca_CCSD(T)_ccpCVTZ,indep,,,,,,,,,,, -13610,fee115442f8ec1f3d2b01a0f7848e384,C2_dimer_3.3,C2,,,,-75.773264026632,,,CCSD(T)_ccpCVTZ,orca_CCSD(T)_ccpCVTZ,indep,,,,,,,,,,, -13612,089ae2b9292b76eca5aedd9fc1111854,C2_dimer_2.2,C2,,,,-75.898508175689,,,CCSD(T)_ccpCVQZ,orca_CCSD(T)_ccpCVQZ,indep,,,,,,,,,,, -13614,10f739144fc27142afcb0e35a607bb49,C2_dimer_3.6,C2,,,,-75.765706710823,,,CCSD(T)_ccpCVQZ,orca_CCSD(T)_ccpCVQZ,indep,,,,,,,,,,, -13616,3b3a25096390e61372de0ca773c8eaf2,C2_dimer_2.3,C2,,,,-75.907786779606,,,CCSD(T)_ccpCVQZ,orca_CCSD(T)_ccpCVQZ,indep,,,,,,,,,,, -13618,3fa972bb433099446dfea54e900b0d7b,C2_dimer_3.9,C2,,,,-75.738866530834,,,CCSD(T)_ccpCVQZ,orca_CCSD(T)_ccpCVQZ,indep,,,,,,,,,,, -13620,5443cb209f3807b9232633a33996f45c,C2_dimer_2.7,C2,,,,-75.875260885788,,,CCSD(T)_ccpCVQZ,orca_CCSD(T)_ccpCVQZ,indep,,,,,,,,,,, -13622,689dfc79d74b1d149fcf2feb22949afd,C2_dimer_2.1,C2,,,,-75.87645640495,,,CCSD(T)_ccpCVQZ,orca_CCSD(T)_ccpCVQZ,indep,,,,,,,,,,, -13624,9b7a715152366943116e88cdfb7d2157,C2_dimer_4.2,C2,,,,-75.717539256946,,,CCSD(T)_ccpCVQZ,orca_CCSD(T)_ccpCVQZ,indep,,,,,,,,,,, -13626,b36f3860e297d58a8e473b12c9fb234d,C2_dimer_3.0,C2,,,,-75.826918791521,,,CCSD(T)_ccpCVQZ,orca_CCSD(T)_ccpCVQZ,indep,,,,,,,,,,, -13628,c0252b6b51f3d5cb890808a1a6b2b761,C2_dimer_2.4,C2,,,,-75.907736050062,,,CCSD(T)_ccpCVQZ,orca_CCSD(T)_ccpCVQZ,indep,,,,,,,,,,, -13630,fee115442f8ec1f3d2b01a0f7848e384,C2_dimer_3.3,C2,,,,-75.796372017757,,,CCSD(T)_ccpCVQZ,orca_CCSD(T)_ccpCVQZ,indep,,,,,,,,,,, -13633,089ae2b9292b76eca5aedd9fc1111854,C2_dimer_2.2,C2,,,,-75.39743703709887,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -13637,10f739144fc27142afcb0e35a607bb49,C2_dimer_3.6,C2,,,,-75.32406006618669,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -13641,3b3a25096390e61372de0ca773c8eaf2,C2_dimer_2.3,C2,,,,-75.40644097869384,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -13645,3fa972bb433099446dfea54e900b0d7b,C2_dimer_3.9,C2,,,,-75.2763747350875,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -13649,5443cb209f3807b9232633a33996f45c,C2_dimer_2.7,C2,,,,-75.37141508566216,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -13653,689dfc79d74b1d149fcf2feb22949afd,C2_dimer_2.1,C2,,,,-75.37545247668527,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -13657,9b7a715152366943116e88cdfb7d2157,C2_dimer_4.2,C2,,,,-75.23255187614691,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -13661,b36f3860e297d58a8e473b12c9fb234d,C2_dimer_3.0,C2,,,,-75.4209851208438,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -13665,c0252b6b51f3d5cb890808a1a6b2b761,C2_dimer_2.4,C2,,,,-75.40595147123874,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -13669,fee115442f8ec1f3d2b01a0f7848e384,C2_dimer_3.3,C2,,,,-75.37381341180063,,,HF_CBS_234,orca_HF_CBS_234,indep,,,,,,,,,,, -13672,03274dd0e8708bf7e831d0ddd9b2006b,C2_dimer_1.8897,C2,,,,-75.629526190867,,,CCSD(T)_ccpCVDZ,orca_CCSD(T)_ccpCVDZ,indep,,,,,,,,,,, -13674,0d18fda509c5ddc118f5798db325c64d,C2_dimer_2.3480,C2,,,,-75.80305625884,,,CCSD(T)_ccpCVDZ,orca_CCSD(T)_ccpCVDZ,indep,,,,,,,,,,, -13676,1ca470c347bf48e4545c5d971e1c2406,C2_dimer_5.2912,C2,,,,-75.62170064244,,,CCSD(T)_ccpCVDZ,orca_CCSD(T)_ccpCVDZ,indep,,,,,,,,,,, -13678,1e3838d73978795831793c3c51d03c97,C2_dimer_3.0236,C2,,,,-75.724666516584,,,CCSD(T)_ccpCVDZ,orca_CCSD(T)_ccpCVDZ,indep,,,,,,,,,,, -13680,2800da6afda82954950a4d247ce22888,C2_dimer_2.2677,C2,,,,-75.796750474099,,,CCSD(T)_ccpCVDZ,orca_CCSD(T)_ccpCVDZ,indep,,,,,,,,,,, -13682,2a191964c2aa2df76fb96c9ed502f4c9,C2_dimer_3.4015,C2,,,,-75.689161403728,,,CCSD(T)_ccpCVDZ,orca_CCSD(T)_ccpCVDZ,indep,,,,,,,,,,, -13684,2eb44d60f030977a185e36e7ca1caee9,C2_dimer_4.9133,C2,,,,-75.613313845948,,,CCSD(T)_ccpCVDZ,orca_CCSD(T)_ccpCVDZ,indep,,,,,,,,,,, -13686,4081abe1fbcb7c23239a60706093df4b,C2_dimer_2.4566,C2,,,,-75.802693726907,,,CCSD(T)_ccpCVDZ,orca_CCSD(T)_ccpCVDZ,indep,,,,,,,,,,, -13688,915c6c08e0abb5ca2dfba5cbd3ebf5d1,C2_dimer_2.0787,C2,,,,-75.749195921744,,,CCSD(T)_ccpCVDZ,orca_CCSD(T)_ccpCVDZ,indep,,,,,,,,,,, -13690,ac67583200dd60f0ac88b94a9aa72565,C2_dimer_4.1574,C2,,,,-75.629894922589,,,CCSD(T)_ccpCVDZ,orca_CCSD(T)_ccpCVDZ,indep,,,,,,,,,,, -13692,be70264a5d45fd97e62eb0f507ee7a33,C2_dimer_2.6456,C2,,,,-75.786007576311,,,CCSD(T)_ccpCVDZ,orca_CCSD(T)_ccpCVDZ,indep,,,,,,,,,,, -13694,d266714b4645644a77a31ed7f0b44476,C2_dimer_1.7008,C2,,,,-75.44105402774,,,CCSD(T)_ccpCVDZ,orca_CCSD(T)_ccpCVDZ,indep,,,,,,,,,,, -13696,d5cc664c9c65e4065404c39fd1ca4d73,C2_dimer_4.5354,C2,,,,-75.615348849928,,,CCSD(T)_ccpCVDZ,orca_CCSD(T)_ccpCVDZ,indep,,,,,,,,,,, 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-2437,4b5e438886b0f9d3b07bfdd3c2693578,HChain10_2.10_2.70,HChain10,,eval,16384.0,-5.629323526972474,,,Gao_etal_2023_pretrained_on_smaller,Gao_etal_2023,reuseshared,,,,,,,,4096.0,,, -2438,4c0906be1e045f11f76d935fab44a749,HChain10_1.50_2.50,HChain10,,eval,16384.0,-5.814659753633088,,,Gao_etal_2023_pretrained_on_smaller,Gao_etal_2023,reuseshared,,,,,,,,4096.0,,, -2439,b7ccc5c7c2cc483eab54fb9c6512a808,HChain10_2.00_2.80,HChain10,,eval,16384.0,-5.673299680196246,,,Gao_etal_2023_pretrained_on_smaller,Gao_etal_2023,reuseshared,,,,,,,,4096.0,,, -2440,5f88e6fb9e8089b42994f2fdf58faef1,HChain10_1.30_1.90,HChain10,,eval,16384.0,-5.692293349454729,,,Gao_etal_2023_pretrained_on_smaller,Gao_etal_2023,reuseshared,,,,,,,,4096.0,,, -2441,033a8aba9509551966e79e329c1b1529,HChain10_2.00_2.00,HChain10,,eval,16384.0,-5.638777661117556,,,Gao_etal_2023_pretrained_on_smaller,Gao_etal_2023,reuseshared,,,,,,,,4096.0,,, -2442,c10ca1b01691621dc5d66589fc939991,HChain10_1.50_1.70,HChain10,,eval,16384.0,-5.663082372797658,,,Gao_etal_2023_pretrained_on_smaller,Gao_etal_2023,reuseshared,,,,,,,,4096.0,,, -2443,a24a68573ac4510ae53641ee95939e3d,HChain10_2.20_2.20,HChain10,,eval,16384.0,-5.584741699631986,,,Gao_etal_2023_pretrained_on_smaller,Gao_etal_2023,reuseshared,,,,,,,,4096.0,,, -2444,0ff1e5e1dc6abf6c4ca7e2221e8bf0c4,HChain10_1.70_2.30,HChain10,,eval,16384.0,-5.753924823244925,,,Gao_etal_2023_pretrained_on_smaller,Gao_etal_2023,reuseshared,,,,,,,,4096.0,,, -2445,8f49c285e4556f185834e12d9c831540,HChain10_1.40_1.40,HChain10,,eval,16384.0,-5.48860514894434,,,Gao_etal_2023_pretrained_on_smaller,Gao_etal_2023,reuseshared,,,,,,,,4096.0,,, -2446,5c945e1c52284aae487b92bc6ecf63eb,HChain10_2.20_2.60,HChain10,,eval,16384.0,-5.587411338811393,,,Gao_etal_2023_pretrained_on_smaller,Gao_etal_2023,reuseshared,,,,,,,,4096.0,,, -2447,2fc7cc6b1df8c1df35b922e571c57ca6,HChain10_1.50_2.10,HChain10,,eval,16384.0,-5.763864910650982,,,Gao_etal_2023_pretrained_on_smaller,Gao_etal_2023,reuseshared,,,,,,,,4096.0,,, -2448,c69742765ea83f8e2fd2d4f7eb00cff9,HChain10_1.30_2.30,HChain10,,eval,16384.0,-5.779872006544321,,,Gao_etal_2023_pretrained_on_smaller,Gao_etal_2023,reuseshared,,,,,,,,4096.0,,, -2449,e85691a0d56f3751dad99239009f01bf,HChain10_2.30_2.50,HChain10,,eval,16384.0,-5.549033907501537,,,Gao_etal_2023_pretrained_on_smaller,Gao_etal_2023,reuseshared,,,,,,,,4096.0,,, -2450,fb797544ab5cf2b8ddbc466c5adb44ce,HChain10_1.90_2.10,HChain10,,eval,16384.0,-5.67540151799232,,,Gao_etal_2023_pretrained_on_smaller,Gao_etal_2023,reuseshared,,,,,,,,4096.0,,, -2451,89c7c6b668ef1ae3b81cb4a68283a361,HChain10_1.70_2.70,HChain10,,eval,16384.0,-5.782595275570052,,,Gao_etal_2023_pretrained_on_smaller,Gao_etal_2023,reuseshared,,,,,,,,4096.0,,, -2452,90661fd86ef4dda6f3911e84b3cfca59,HChain10_2.00_2.40,HChain10,,eval,16384.0,-5.659630987091341,,,Gao_etal_2023_pretrained_on_smaller,Gao_etal_2023,reuseshared,,,,,,,,4096.0,,, -2453,6524a62199385560ad296f67e160e5ae,HChain10_1.90_2.90,HChain10,,eval,16384.0,-5.717087878089628,,,Gao_etal_2023_pretrained_on_smaller,Gao_etal_2023,reuseshared,,,,,,,,4096.0,,, -2454,ae03280a713d7d5af265aec07e4205ef,HChain10_1.00_1.80,HChain10,,eval,16384.0,-5.367185047974649,,,Gao_etal_2023_pretrained_on_smaller,Gao_etal_2023,reuseshared,,,,,,,,4096.0,,, -2570,00572fed1563d8dffead78f6206d159f,C2H4_CC1.30A_0deg,C2H4,,,,-78.57652058,,,MRCI_Ethene_20geoms,MRCI,indep,,,,,,,,,,, -2571,68a9222ecdedfa1c28c47bff5f561f55,C2H4_CC1.30A_10deg,C2H4,,,,-78.57449143,,,MRCI_Ethene_20geoms,MRCI,indep,,,,,,,,,,, -2572,b74f6a57c30a3e480b3da1f843210ed7,C2H4_CC1.30A_20deg,C2H4,,,,-78.56838997,,,MRCI_Ethene_20geoms,MRCI,indep,,,,,,,,,,, -2573,84b0dea9a5b8580c5ad7556234c44aa4,C2H4_CC1.30A_30deg,C2H4,,,,-78.55833756,,,MRCI_Ethene_20geoms,MRCI,indep,,,,,,,,,,, -2574,d90bf56c430e7b00af9f7159cc088373,C2H4_CC1.30A_40deg,C2H4,,,,-78.54442594,,,MRCI_Ethene_20geoms,MRCI,indep,,,,,,,,,,, -2575,a08e544a9d4c501fdd0fd072cc74887e,C2H4_CC1.30A_50deg,C2H4,,,,-78.52688306,,,MRCI_Ethene_20geoms,MRCI,indep,,,,,,,,,,, -2576,76bdef6a1423fb3014cb908ef6a0908f,C2H4_CC1.30A_60deg,C2H4,,,,-78.50615587,,,MRCI_Ethene_20geoms,MRCI,indep,,,,,,,,,,, -2577,488f4bc14b1fdb0e935909eab7dfa107,C2H4_CC1.30A_70deg,C2H4,,,,-78.48327605,,,MRCI_Ethene_20geoms,MRCI,indep,,,,,,,,,,, -2578,18097ae85beec490d7622cf897c84ee9,C2H4_CC1.30A_80deg,C2H4,,,,-78.46134578,,,MRCI_Ethene_20geoms,MRCI,indep,,,,,,,,,,, -2579,fa8c21dfffb579a9f5d81cbddbaf2aba,C2H4_CC1.30A_90deg,C2H4,,,,-78.45043927,,,MRCI_Ethene_20geoms,MRCI,indep,,,,,,,,,,, -2580,ea2433e4ae16ce0d47efe7de81c3d4fe,C2H4_CC1.38A_0deg,C2H4,,,,-78.57472737,,,MRCI_Ethene_20geoms,MRCI,indep,,,,,,,,,,, -2581,4e675543969704f3d8db34129e98bc9c,C2H4_CC1.38A_10deg,C2H4,,,,-78.57287444,,,MRCI_Ethene_20geoms,MRCI,indep,,,,,,,,,,, -2582,c0b27949941497134d7610d509959862,C2H4_CC1.38A_20deg,C2H4,,,,-78.56733771,,,MRCI_Ethene_20geoms,MRCI,indep,,,,,,,,,,, -2583,47e257a2330f298dfd055c77f550bd65,C2H4_CC1.38A_30deg,C2H4,,,,-78.55819183,,,MRCI_Ethene_20geoms,MRCI,indep,,,,,,,,,,, -2584,c72eeb5e47b3563cdebd8204fd3edf0d,C2H4_CC1.38A_40deg,C2H4,,,,-78.54558728,,,MRCI_Ethene_20geoms,MRCI,indep,,,,,,,,,,, -2585,7fd93195486569c04ee65f4f184f0080,C2H4_CC1.38A_50deg,C2H4,,,,-78.5298033,,,MRCI_Ethene_20geoms,MRCI,indep,,,,,,,,,,, -2586,e6601d2a42568498980443310fa4bb7f,C2H4_CC1.38A_60deg,C2H4,,,,-78.51138299,,,MRCI_Ethene_20geoms,MRCI,indep,,,,,,,,,,, -2587,a03e416bda2d0f3c7ff8efb1e9a0e3be,C2H4_CC1.38A_70deg,C2H4,,,,-78.49153893,,,MRCI_Ethene_20geoms,MRCI,indep,,,,,,,,,,, -2588,9c81488f923fe7d3fe64cabbaf119583,C2H4_CC1.38A_80deg,C2H4,,,,-78.47349207,,,MRCI_Ethene_20geoms,MRCI,indep,,,,,,,,,,, -2589,bdb183f76ba8b72586a333cccd2e3bf3,C2H4_CC1.38A_90deg,C2H4,,,,-78.46520304,,,MRCI_Ethene_20geoms,MRCI,indep,,,,,,,,,,, -3410,00572fed1563d8dffead78f6206d159f,C2H4_CC1.30A_0deg,C2H4,,,1280.0,-78.52249612886718,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3411,00572fed1563d8dffead78f6206d159f,C2H4_CC1.30A_0deg,C2H4,,,2560.0,-78.54028787691405,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3412,00572fed1563d8dffead78f6206d159f,C2H4_CC1.30A_0deg,C2H4,,,5120.0,-78.55028238374999,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3413,00572fed1563d8dffead78f6206d159f,C2H4_CC1.30A_0deg,C2H4,,,10240.0,-78.55822458345702,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3414,00572fed1563d8dffead78f6206d159f,C2H4_CC1.30A_0deg,C2H4,,,20480.0,-78.5685700424414,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3415,00572fed1563d8dffead78f6206d159f,C2H4_CC1.30A_0deg,C2H4,,,40960.0,-78.5687684066992,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3416,00572fed1563d8dffead78f6206d159f,C2H4_CC1.30A_0deg,C2H4,,,81920.0,-78.57333841402343,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3417,00572fed1563d8dffead78f6206d159f,C2H4_CC1.30A_0deg,C2H4,,,163840.0,-78.5743073471289,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3418,00572fed1563d8dffead78f6206d159f,C2H4_CC1.30A_0deg,C2H4,,,327680.0,-78.57498636324218,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3419,68a9222ecdedfa1c28c47bff5f561f55,C2H4_CC1.30A_10deg,C2H4,,,1280.0,-78.52012777796874,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3420,68a9222ecdedfa1c28c47bff5f561f55,C2H4_CC1.30A_10deg,C2H4,,,2560.0,-78.5384535836328,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3421,68a9222ecdedfa1c28c47bff5f561f55,C2H4_CC1.30A_10deg,C2H4,,,5120.0,-78.55457449427733,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3422,68a9222ecdedfa1c28c47bff5f561f55,C2H4_CC1.30A_10deg,C2H4,,,10240.0,-78.55761099330077,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3423,68a9222ecdedfa1c28c47bff5f561f55,C2H4_CC1.30A_10deg,C2H4,,,20480.0,-78.56297445765624,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3424,68a9222ecdedfa1c28c47bff5f561f55,C2H4_CC1.30A_10deg,C2H4,,,40960.0,-78.56852102748046,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3425,68a9222ecdedfa1c28c47bff5f561f55,C2H4_CC1.30A_10deg,C2H4,,,81920.0,-78.56855154505858,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3426,68a9222ecdedfa1c28c47bff5f561f55,C2H4_CC1.30A_10deg,C2H4,,,163840.0,-78.57012320033202,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3427,68a9222ecdedfa1c28c47bff5f561f55,C2H4_CC1.30A_10deg,C2H4,,,327680.0,-78.57409048548827,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3428,b74f6a57c30a3e480b3da1f843210ed7,C2H4_CC1.30A_20deg,C2H4,,,1280.0,-78.51741805660156,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3429,b74f6a57c30a3e480b3da1f843210ed7,C2H4_CC1.30A_20deg,C2H4,,,2560.0,-78.54058089839843,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3430,b74f6a57c30a3e480b3da1f843210ed7,C2H4_CC1.30A_20deg,C2H4,,,5120.0,-78.5454789696875,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3431,b74f6a57c30a3e480b3da1f843210ed7,C2H4_CC1.30A_20deg,C2H4,,,10240.0,-78.55104079830078,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3432,b74f6a57c30a3e480b3da1f843210ed7,C2H4_CC1.30A_20deg,C2H4,,,20480.0,-78.55749526607421,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3433,b74f6a57c30a3e480b3da1f843210ed7,C2H4_CC1.30A_20deg,C2H4,,,40960.0,-78.55581679927734,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3434,b74f6a57c30a3e480b3da1f843210ed7,C2H4_CC1.30A_20deg,C2H4,,,81920.0,-78.56564345943359,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3435,b74f6a57c30a3e480b3da1f843210ed7,C2H4_CC1.30A_20deg,C2H4,,,163840.0,-78.56494918453124,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3436,b74f6a57c30a3e480b3da1f843210ed7,C2H4_CC1.30A_20deg,C2H4,,,327680.0,-78.56407180416015,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3437,84b0dea9a5b8580c5ad7556234c44aa4,C2H4_CC1.30A_30deg,C2H4,,,1280.0,-78.50708335417968,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3438,84b0dea9a5b8580c5ad7556234c44aa4,C2H4_CC1.30A_30deg,C2H4,,,2560.0,-78.5263017990039,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3439,84b0dea9a5b8580c5ad7556234c44aa4,C2H4_CC1.30A_30deg,C2H4,,,5120.0,-78.53800529021484,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3440,84b0dea9a5b8580c5ad7556234c44aa4,C2H4_CC1.30A_30deg,C2H4,,,10240.0,-78.54006522673828,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3441,84b0dea9a5b8580c5ad7556234c44aa4,C2H4_CC1.30A_30deg,C2H4,,,20480.0,-78.54535239714843,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3442,84b0dea9a5b8580c5ad7556234c44aa4,C2H4_CC1.30A_30deg,C2H4,,,40960.0,-78.55307334441406,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3443,84b0dea9a5b8580c5ad7556234c44aa4,C2H4_CC1.30A_30deg,C2H4,,,81920.0,-78.55506461638672,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3444,84b0dea9a5b8580c5ad7556234c44aa4,C2H4_CC1.30A_30deg,C2H4,,,163840.0,-78.55536216277343,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3445,84b0dea9a5b8580c5ad7556234c44aa4,C2H4_CC1.30A_30deg,C2H4,,,327680.0,-78.55844443816406,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3446,d90bf56c430e7b00af9f7159cc088373,C2H4_CC1.30A_40deg,C2H4,,,1280.0,-78.50139326988281,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3447,d90bf56c430e7b00af9f7159cc088373,C2H4_CC1.30A_40deg,C2H4,,,2560.0,-78.515355061875,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3448,d90bf56c430e7b00af9f7159cc088373,C2H4_CC1.30A_40deg,C2H4,,,5120.0,-78.52522749839844,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3449,d90bf56c430e7b00af9f7159cc088373,C2H4_CC1.30A_40deg,C2H4,,,10240.0,-78.53099532066406,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3450,d90bf56c430e7b00af9f7159cc088373,C2H4_CC1.30A_40deg,C2H4,,,20480.0,-78.53612227378906,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3451,d90bf56c430e7b00af9f7159cc088373,C2H4_CC1.30A_40deg,C2H4,,,40960.0,-78.5364503377539,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3452,d90bf56c430e7b00af9f7159cc088373,C2H4_CC1.30A_40deg,C2H4,,,81920.0,-78.54160780845703,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3453,d90bf56c430e7b00af9f7159cc088373,C2H4_CC1.30A_40deg,C2H4,,,163840.0,-78.54081435142578,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3454,d90bf56c430e7b00af9f7159cc088373,C2H4_CC1.30A_40deg,C2H4,,,327680.0,-78.54395766197266,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3455,a08e544a9d4c501fdd0fd072cc74887e,C2H4_CC1.30A_50deg,C2H4,,,1280.0,-78.47282715207031,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3456,a08e544a9d4c501fdd0fd072cc74887e,C2H4_CC1.30A_50deg,C2H4,,,2560.0,-78.50077362423828,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3457,a08e544a9d4c501fdd0fd072cc74887e,C2H4_CC1.30A_50deg,C2H4,,,5120.0,-78.50603790646484,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3458,a08e544a9d4c501fdd0fd072cc74887e,C2H4_CC1.30A_50deg,C2H4,,,10240.0,-78.51068420773437,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3459,a08e544a9d4c501fdd0fd072cc74887e,C2H4_CC1.30A_50deg,C2H4,,,20480.0,-78.51558990841797,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3460,a08e544a9d4c501fdd0fd072cc74887e,C2H4_CC1.30A_50deg,C2H4,,,40960.0,-78.52071686154297,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3461,a08e544a9d4c501fdd0fd072cc74887e,C2H4_CC1.30A_50deg,C2H4,,,81920.0,-78.52424927121093,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3462,a08e544a9d4c501fdd0fd072cc74887e,C2H4_CC1.30A_50deg,C2H4,,,163840.0,-78.52347870236328,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3463,a08e544a9d4c501fdd0fd072cc74887e,C2H4_CC1.30A_50deg,C2H4,,,327680.0,-78.52666778927734,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3464,76bdef6a1423fb3014cb908ef6a0908f,C2H4_CC1.30A_60deg,C2H4,,,1280.0,-78.46210893746094,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3465,76bdef6a1423fb3014cb908ef6a0908f,C2H4_CC1.30A_60deg,C2H4,,,2560.0,-78.48196825142578,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3466,76bdef6a1423fb3014cb908ef6a0908f,C2H4_CC1.30A_60deg,C2H4,,,5120.0,-78.48820146675781,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3467,76bdef6a1423fb3014cb908ef6a0908f,C2H4_CC1.30A_60deg,C2H4,,,10240.0,-78.49408372994141,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3468,76bdef6a1423fb3014cb908ef6a0908f,C2H4_CC1.30A_60deg,C2H4,,,20480.0,-78.49763902779297,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3469,76bdef6a1423fb3014cb908ef6a0908f,C2H4_CC1.30A_60deg,C2H4,,,40960.0,-78.50197252388672,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3470,76bdef6a1423fb3014cb908ef6a0908f,C2H4_CC1.30A_60deg,C2H4,,,81920.0,-78.50259050484375,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3471,76bdef6a1423fb3014cb908ef6a0908f,C2H4_CC1.30A_60deg,C2H4,,,163840.0,-78.50368913765625,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3472,76bdef6a1423fb3014cb908ef6a0908f,C2H4_CC1.30A_60deg,C2H4,,,327680.0,-78.5062144672461,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3473,488f4bc14b1fdb0e935909eab7dfa107,C2H4_CC1.30A_70deg,C2H4,,,1280.0,-78.4329061134375,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3474,488f4bc14b1fdb0e935909eab7dfa107,C2H4_CC1.30A_70deg,C2H4,,,2560.0,-78.45899101333984,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3475,488f4bc14b1fdb0e935909eab7dfa107,C2H4_CC1.30A_70deg,C2H4,,,5120.0,-78.4648656471289,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3476,488f4bc14b1fdb0e935909eab7dfa107,C2H4_CC1.30A_70deg,C2H4,,,10240.0,-78.46964164810547,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3477,488f4bc14b1fdb0e935909eab7dfa107,C2H4_CC1.30A_70deg,C2H4,,,20480.0,-78.47360893326172,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3478,488f4bc14b1fdb0e935909eab7dfa107,C2H4_CC1.30A_70deg,C2H4,,,40960.0,-78.477705918125,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3479,488f4bc14b1fdb0e935909eab7dfa107,C2H4_CC1.30A_70deg,C2H4,,,81920.0,-78.48092552261718,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3480,488f4bc14b1fdb0e935909eab7dfa107,C2H4_CC1.30A_70deg,C2H4,,,163840.0,-78.48284050064453,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3481,488f4bc14b1fdb0e935909eab7dfa107,C2H4_CC1.30A_70deg,C2H4,,,327680.0,-78.47978874283203,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3482,18097ae85beec490d7622cf897c84ee9,C2H4_CC1.30A_80deg,C2H4,,,1280.0,-78.41739437466796,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3483,18097ae85beec490d7622cf897c84ee9,C2H4_CC1.30A_80deg,C2H4,,,2560.0,-78.43671963101562,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3484,18097ae85beec490d7622cf897c84ee9,C2H4_CC1.30A_80deg,C2H4,,,5120.0,-78.44344112759765,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3485,18097ae85beec490d7622cf897c84ee9,C2H4_CC1.30A_80deg,C2H4,,,10240.0,-78.45194027310546,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3486,18097ae85beec490d7622cf897c84ee9,C2H4_CC1.30A_80deg,C2H4,,,20480.0,-78.45042965298828,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3487,18097ae85beec490d7622cf897c84ee9,C2H4_CC1.30A_80deg,C2H4,,,40960.0,-78.45771572476562,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3488,18097ae85beec490d7622cf897c84ee9,C2H4_CC1.30A_80deg,C2H4,,,81920.0,-78.45812771207031,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3489,18097ae85beec490d7622cf897c84ee9,C2H4_CC1.30A_80deg,C2H4,,,163840.0,-78.45824215298828,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3490,18097ae85beec490d7622cf897c84ee9,C2H4_CC1.30A_80deg,C2H4,,,327680.0,-78.46102688199218,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3491,fa8c21dfffb579a9f5d81cbddbaf2aba,C2H4_CC1.30A_90deg,C2H4,,,1280.0,-78.40203331113281,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3492,fa8c21dfffb579a9f5d81cbddbaf2aba,C2H4_CC1.30A_90deg,C2H4,,,2560.0,-78.4231972515625,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3493,fa8c21dfffb579a9f5d81cbddbaf2aba,C2H4_CC1.30A_90deg,C2H4,,,5120.0,-78.43190239072266,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3494,fa8c21dfffb579a9f5d81cbddbaf2aba,C2H4_CC1.30A_90deg,C2H4,,,10240.0,-78.43786094785156,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3495,fa8c21dfffb579a9f5d81cbddbaf2aba,C2H4_CC1.30A_90deg,C2H4,,,20480.0,-78.44232414365234,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3496,fa8c21dfffb579a9f5d81cbddbaf2aba,C2H4_CC1.30A_90deg,C2H4,,,40960.0,-78.44668815732422,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3497,fa8c21dfffb579a9f5d81cbddbaf2aba,C2H4_CC1.30A_90deg,C2H4,,,81920.0,-78.44757316708984,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3498,fa8c21dfffb579a9f5d81cbddbaf2aba,C2H4_CC1.30A_90deg,C2H4,,,163840.0,-78.44662712216797,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3499,fa8c21dfffb579a9f5d81cbddbaf2aba,C2H4_CC1.30A_90deg,C2H4,,,327680.0,-78.45191429257812,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3500,ea2433e4ae16ce0d47efe7de81c3d4fe,C2H4_CC1.38A_0deg,C2H4,,,1280.0,-78.52400733828125,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3501,ea2433e4ae16ce0d47efe7de81c3d4fe,C2H4_CC1.38A_0deg,C2H4,,,2560.0,-78.54587318300781,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3502,ea2433e4ae16ce0d47efe7de81c3d4fe,C2H4_CC1.38A_0deg,C2H4,,,5120.0,-78.54797889589844,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3503,ea2433e4ae16ce0d47efe7de81c3d4fe,C2H4_CC1.38A_0deg,C2H4,,,10240.0,-78.55760719179688,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3504,ea2433e4ae16ce0d47efe7de81c3d4fe,C2H4_CC1.38A_0deg,C2H4,,,20480.0,-78.56397010683594,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3505,ea2433e4ae16ce0d47efe7de81c3d4fe,C2H4_CC1.38A_0deg,C2H4,,,40960.0,-78.56686927675781,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3506,ea2433e4ae16ce0d47efe7de81c3d4fe,C2H4_CC1.38A_0deg,C2H4,,,81920.0,-78.57050849794922,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3507,ea2433e4ae16ce0d47efe7de81c3d4fe,C2H4_CC1.38A_0deg,C2H4,,,163840.0,-78.57190467714844,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3508,ea2433e4ae16ce0d47efe7de81c3d4fe,C2H4_CC1.38A_0deg,C2H4,,,327680.0,-78.5674262225586,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3509,4e675543969704f3d8db34129e98bc9c,C2H4_CC1.38A_10deg,C2H4,,,1280.0,-78.51781680697266,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3510,4e675543969704f3d8db34129e98bc9c,C2H4_CC1.38A_10deg,C2H4,,,2560.0,-78.54678561800782,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3511,4e675543969704f3d8db34129e98bc9c,C2H4_CC1.38A_10deg,C2H4,,,5120.0,-78.54898288363282,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3512,4e675543969704f3d8db34129e98bc9c,C2H4_CC1.38A_10deg,C2H4,,,10240.0,-78.55887820833985,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3513,4e675543969704f3d8db34129e98bc9c,C2H4_CC1.38A_10deg,C2H4,,,20480.0,-78.56151797884766,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3514,4e675543969704f3d8db34129e98bc9c,C2H4_CC1.38A_10deg,C2H4,,,40960.0,-78.56485965365235,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3515,4e675543969704f3d8db34129e98bc9c,C2H4_CC1.38A_10deg,C2H4,,,81920.0,-78.56878879183594,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3516,4e675543969704f3d8db34129e98bc9c,C2H4_CC1.38A_10deg,C2H4,,,163840.0,-78.5712683450586,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3517,4e675543969704f3d8db34129e98bc9c,C2H4_CC1.38A_10deg,C2H4,,,327680.0,-78.57216098421875,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3518,c0b27949941497134d7610d509959862,C2H4_CC1.38A_20deg,C2H4,,,1280.0,-78.52233985824219,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3519,c0b27949941497134d7610d509959862,C2H4_CC1.38A_20deg,C2H4,,,2560.0,-78.53581336898438,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3520,c0b27949941497134d7610d509959862,C2H4_CC1.38A_20deg,C2H4,,,5120.0,-78.54515937728516,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3521,c0b27949941497134d7610d509959862,C2H4_CC1.38A_20deg,C2H4,,,10240.0,-78.550614394375,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3522,c0b27949941497134d7610d509959862,C2H4_CC1.38A_20deg,C2H4,,,20480.0,-78.5550318138086,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3523,c0b27949941497134d7610d509959862,C2H4_CC1.38A_20deg,C2H4,,,40960.0,-78.55758766097657,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3524,c0b27949941497134d7610d509959862,C2H4_CC1.38A_20deg,C2H4,,,81920.0,-78.56247047347657,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3525,c0b27949941497134d7610d509959862,C2H4_CC1.38A_20deg,C2H4,,,163840.0,-78.56375984115235,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3526,c0b27949941497134d7610d509959862,C2H4_CC1.38A_20deg,C2H4,,,327680.0,-78.56397346419922,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3527,47e257a2330f298dfd055c77f550bd65,C2H4_CC1.38A_30deg,C2H4,,,1280.0,-78.50805250052734,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3528,47e257a2330f298dfd055c77f550bd65,C2H4_CC1.38A_30deg,C2H4,,,2560.0,-78.52646222953125,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3529,47e257a2330f298dfd055c77f550bd65,C2H4_CC1.38A_30deg,C2H4,,,5120.0,-78.5357777202539,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3530,47e257a2330f298dfd055c77f550bd65,C2H4_CC1.38A_30deg,C2H4,,,10240.0,-78.54326215628906,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3531,47e257a2330f298dfd055c77f550bd65,C2H4_CC1.38A_30deg,C2H4,,,20480.0,-78.54763379935547,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3532,47e257a2330f298dfd055c77f550bd65,C2H4_CC1.38A_30deg,C2H4,,,40960.0,-78.553256663125,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3533,47e257a2330f298dfd055c77f550bd65,C2H4_CC1.38A_30deg,C2H4,,,81920.0,-78.55082288626953,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3534,47e257a2330f298dfd055c77f550bd65,C2H4_CC1.38A_30deg,C2H4,,,163840.0,-78.55306592826172,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3535,47e257a2330f298dfd055c77f550bd65,C2H4_CC1.38A_30deg,C2H4,,,327680.0,-78.55707136039062,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3536,c72eeb5e47b3563cdebd8204fd3edf0d,C2H4_CC1.38A_40deg,C2H4,,,1280.0,-78.48592834109375,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3537,c72eeb5e47b3563cdebd8204fd3edf0d,C2H4_CC1.38A_40deg,C2H4,,,2560.0,-78.51459197634766,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3538,c72eeb5e47b3563cdebd8204fd3edf0d,C2H4_CC1.38A_40deg,C2H4,,,5120.0,-78.52344207400391,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3539,c72eeb5e47b3563cdebd8204fd3edf0d,C2H4_CC1.38A_40deg,C2H4,,,10240.0,-78.52856139773438,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3540,c72eeb5e47b3563cdebd8204fd3edf0d,C2H4_CC1.38A_40deg,C2H4,,,20480.0,-78.53500823611328,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3541,c72eeb5e47b3563cdebd8204fd3edf0d,C2H4_CC1.38A_40deg,C2H4,,,40960.0,-78.53802947634766,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3542,c72eeb5e47b3563cdebd8204fd3edf0d,C2H4_CC1.38A_40deg,C2H4,,,81920.0,-78.5386245691211,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3543,c72eeb5e47b3563cdebd8204fd3edf0d,C2H4_CC1.38A_40deg,C2H4,,,163840.0,-78.54224090212891,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3544,c72eeb5e47b3563cdebd8204fd3edf0d,C2H4_CC1.38A_40deg,C2H4,,,327680.0,-78.54267577761719,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3545,7fd93195486569c04ee65f4f184f0080,C2H4_CC1.38A_50deg,C2H4,,,1280.0,-78.47937302650391,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3546,7fd93195486569c04ee65f4f184f0080,C2H4_CC1.38A_50deg,C2H4,,,2560.0,-78.49811844886719,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3547,7fd93195486569c04ee65f4f184f0080,C2H4_CC1.38A_50deg,C2H4,,,5120.0,-78.51126389564453,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3548,7fd93195486569c04ee65f4f184f0080,C2H4_CC1.38A_50deg,C2H4,,,10240.0,-78.51461319984375,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3549,7fd93195486569c04ee65f4f184f0080,C2H4_CC1.38A_50deg,C2H4,,,20480.0,-78.51585679115234,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3550,7fd93195486569c04ee65f4f184f0080,C2H4_CC1.38A_50deg,C2H4,,,40960.0,-78.52222733558594,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3551,7fd93195486569c04ee65f4f184f0080,C2H4_CC1.38A_50deg,C2H4,,,81920.0,-78.5276365763086,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3552,7fd93195486569c04ee65f4f184f0080,C2H4_CC1.38A_50deg,C2H4,,,163840.0,-78.52510361732422,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3553,7fd93195486569c04ee65f4f184f0080,C2H4_CC1.38A_50deg,C2H4,,,327680.0,-78.52774338783203,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3554,e6601d2a42568498980443310fa4bb7f,C2H4_CC1.38A_60deg,C2H4,,,1280.0,-78.46680122833985,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3555,e6601d2a42568498980443310fa4bb7f,C2H4_CC1.38A_60deg,C2H4,,,2560.0,-78.48096901398438,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3556,e6601d2a42568498980443310fa4bb7f,C2H4_CC1.38A_60deg,C2H4,,,5120.0,-78.49258095246094,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3557,e6601d2a42568498980443310fa4bb7f,C2H4_CC1.38A_60deg,C2H4,,,10240.0,-78.49956947785157,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3558,e6601d2a42568498980443310fa4bb7f,C2H4_CC1.38A_60deg,C2H4,,,20480.0,-78.50342232208985,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3559,e6601d2a42568498980443310fa4bb7f,C2H4_CC1.38A_60deg,C2H4,,,40960.0,-78.50603920441407,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3560,e6601d2a42568498980443310fa4bb7f,C2H4_CC1.38A_60deg,C2H4,,,81920.0,-78.50911385041016,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3561,e6601d2a42568498980443310fa4bb7f,C2H4_CC1.38A_60deg,C2H4,,,163840.0,-78.51042610626953,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3562,e6601d2a42568498980443310fa4bb7f,C2H4_CC1.38A_60deg,C2H4,,,327680.0,-78.5105634353711,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3563,a03e416bda2d0f3c7ff8efb1e9a0e3be,C2H4_CC1.38A_70deg,C2H4,,,1280.0,-78.44157394779297,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3564,a03e416bda2d0f3c7ff8efb1e9a0e3be,C2H4_CC1.38A_70deg,C2H4,,,2560.0,-78.46037277591797,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3565,a03e416bda2d0f3c7ff8efb1e9a0e3be,C2H4_CC1.38A_70deg,C2H4,,,5120.0,-78.47444900882813,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3566,a03e416bda2d0f3c7ff8efb1e9a0e3be,C2H4_CC1.38A_70deg,C2H4,,,10240.0,-78.47994980228516,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3567,a03e416bda2d0f3c7ff8efb1e9a0e3be,C2H4_CC1.38A_70deg,C2H4,,,20480.0,-78.48619827640626,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3568,a03e416bda2d0f3c7ff8efb1e9a0e3be,C2H4_CC1.38A_70deg,C2H4,,,40960.0,-78.48411545169922,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3569,a03e416bda2d0f3c7ff8efb1e9a0e3be,C2H4_CC1.38A_70deg,C2H4,,,81920.0,-78.48822769535157,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3570,a03e416bda2d0f3c7ff8efb1e9a0e3be,C2H4_CC1.38A_70deg,C2H4,,,163840.0,-78.48673233402344,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3571,a03e416bda2d0f3c7ff8efb1e9a0e3be,C2H4_CC1.38A_70deg,C2H4,,,327680.0,-78.4904325903711,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3572,9c81488f923fe7d3fe64cabbaf119583,C2H4_CC1.38A_80deg,C2H4,,,1280.0,-78.42395638951173,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3573,9c81488f923fe7d3fe64cabbaf119583,C2H4_CC1.38A_80deg,C2H4,,,2560.0,-78.4460205984961,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3574,9c81488f923fe7d3fe64cabbaf119583,C2H4_CC1.38A_80deg,C2H4,,,5120.0,-78.4552979422461,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3575,9c81488f923fe7d3fe64cabbaf119583,C2H4_CC1.38A_80deg,C2H4,,,10240.0,-78.45879220494142,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3576,9c81488f923fe7d3fe64cabbaf119583,C2H4_CC1.38A_80deg,C2H4,,,20480.0,-78.4611573172461,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3577,9c81488f923fe7d3fe64cabbaf119583,C2H4_CC1.38A_80deg,C2H4,,,40960.0,-78.4685044241797,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3578,9c81488f923fe7d3fe64cabbaf119583,C2H4_CC1.38A_80deg,C2H4,,,81920.0,-78.46936654576173,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3579,9c81488f923fe7d3fe64cabbaf119583,C2H4_CC1.38A_80deg,C2H4,,,163840.0,-78.47164773472657,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3580,9c81488f923fe7d3fe64cabbaf119583,C2H4_CC1.38A_80deg,C2H4,,,327680.0,-78.47157144078126,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3581,bdb183f76ba8b72586a333cccd2e3bf3,C2H4_CC1.38A_90deg,C2H4,,,1280.0,-78.4193449966211,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3582,bdb183f76ba8b72586a333cccd2e3bf3,C2H4_CC1.38A_90deg,C2H4,,,2560.0,-78.43171224515626,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3583,bdb183f76ba8b72586a333cccd2e3bf3,C2H4_CC1.38A_90deg,C2H4,,,5120.0,-78.4481535903711,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3584,bdb183f76ba8b72586a333cccd2e3bf3,C2H4_CC1.38A_90deg,C2H4,,,10240.0,-78.45432577054689,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3585,bdb183f76ba8b72586a333cccd2e3bf3,C2H4_CC1.38A_90deg,C2H4,,,20480.0,-78.45910940091798,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3586,bdb183f76ba8b72586a333cccd2e3bf3,C2H4_CC1.38A_90deg,C2H4,,,40960.0,-78.45988759916017,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3587,bdb183f76ba8b72586a333cccd2e3bf3,C2H4_CC1.38A_90deg,C2H4,,,81920.0,-78.4639235488672,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3588,bdb183f76ba8b72586a333cccd2e3bf3,C2H4_CC1.38A_90deg,C2H4,,,163840.0,-78.46409902494142,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3589,bdb183f76ba8b72586a333cccd2e3bf3,C2H4_CC1.38A_90deg,C2H4,,,327680.0,-78.4644347183008,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -3868,033a8aba9509551966e79e329c1b1529,HChain10_2.00_2.00,HChain10,,,,-5.63863356,,,MRCI_HChain10_23geoms,MRCI,indep,,,,,,,,,,, -3869,1b9f0490e3e1bdc8de5ae5d06771da5f,HChain10_1.90_2.50,HChain10,,,,-5.70134591,,,MRCI_HChain10_23geoms,MRCI,indep,,,,,,,,,,, -3870,5c945e1c52284aae487b92bc6ecf63eb,HChain10_2.20_2.60,HChain10,,,,-5.58677579,,,MRCI_HChain10_23geoms,MRCI,indep,,,,,,,,,,, -3871,9ba9afac2df9c11a138ef4615be01c68,HChain10_2.40,HChain10,,,,-5.51663715,,,MRCI_HChain10_23geoms,MRCI,indep,,,,,,,,,,, -3872,89c7c6b668ef1ae3b81cb4a68283a361,HChain10_1.70_2.70,HChain10,,,,-5.78213217,,,MRCI_HChain10_23geoms,MRCI,indep,,,,,,,,,,, -3873,e85691a0d56f3751dad99239009f01bf,HChain10_2.30_2.50,HChain10,,,,-5.54835743,,,MRCI_HChain10_23geoms,MRCI,indep,,,,,,,,,,, -3874,90661fd86ef4dda6f3911e84b3cfca59,HChain10_2.00_2.40,HChain10,,,,-5.659088,,,MRCI_HChain10_23geoms,MRCI,indep,,,,,,,,,,, -3875,fb797544ab5cf2b8ddbc466c5adb44ce,HChain10_1.90_2.10,HChain10,,,,-5.67503139,,,MRCI_HChain10_23geoms,MRCI,indep,,,,,,,,,,, -3876,c10ca1b01691621dc5d66589fc939991,HChain10_1.50_1.70,HChain10,,,,-5.66264009,,,MRCI_HChain10_23geoms,MRCI,indep,,,,,,,,,,, -3877,ae03280a713d7d5af265aec07e4205ef,HChain10_1.00_1.80,HChain10,,,,-5.36674917,,,MRCI_HChain10_23geoms,MRCI,indep,,,,,,,,,,, -3878,5f88e6fb9e8089b42994f2fdf58faef1,HChain10_1.30_1.90,HChain10,,,,-5.69207501,,,MRCI_HChain10_23geoms,MRCI,indep,,,,,,,,,,, -3879,a24a68573ac4510ae53641ee95939e3d,HChain10_2.20,HChain10,,,,-5.58454268,,,MRCI_HChain10_23geoms,MRCI,indep,,,,,,,,,,, -3880,4c0906be1e045f11f76d935fab44a749,HChain10_1.50_2.50,HChain10,,,,-5.81412487,,,MRCI_HChain10_23geoms,MRCI,indep,,,,,,,,,,, -3881,4b5e438886b0f9d3b07bfdd3c2693578,HChain10_2.10_2.70,HChain10,,,,-5.62893099,,,MRCI_HChain10_23geoms,MRCI,indep,,,,,,,,,,, -3882,b7ccc5c7c2cc483eab54fb9c6512a808,HChain10_2.00_2.80,HChain10,,,,-5.67281024,,,MRCI_HChain10_23geoms,MRCI,indep,,,,,,,,,,, -3883,6524a62199385560ad296f67e160e5ae,HChain10_1.90_2.90,HChain10,,,,-5.7166915,,,MRCI_HChain10_23geoms,MRCI,indep,,,,,,,,,,, -3884,0ff1e5e1dc6abf6c4ca7e2221e8bf0c4,HChain10_1.70_2.30,HChain10,,,,-5.75347556,,,MRCI_HChain10_23geoms,MRCI,indep,,,,,,,,,,, -3885,665c70da6f02fba9d6466b83a53b0fc0,HChain10_2.10_2.30,HChain10,,,,-5.61902467,,,MRCI_HChain10_23geoms,MRCI,indep,,,,,,,,,,, -3886,8f49c285e4556f185834e12d9c831540,HChain10_1.40_1.40,HChain10,,,,-5.48827454,,,MRCI_HChain10_23geoms,MRCI,indep,,,,,,,,,,, -3887,56e719941696479b51fe23c2cba90fb1,HChain10_1.70_1.90,HChain10,,,,-5.69944116,,,MRCI_HChain10_23geoms,MRCI,indep,,,,,,,,,,, -3888,c69742765ea83f8e2fd2d4f7eb00cff9,HChain10_1.30_2.30,HChain10,,,,-5.77943767,,,MRCI_HChain10_23geoms,MRCI,indep,,,,,,,,,,, -3889,2fc7cc6b1df8c1df35b922e571c57ca6,HChain10_1.50_2.10,HChain10,,,,-5.7635169,,,MRCI_HChain10_23geoms,MRCI,indep,,,,,,,,,,, -3890,86771499bc9ff4d00aff8cb3001d4d47,HChain10_1.30_1.50,HChain10,,,,-5.51062356,,,MRCI_HChain10_23geoms,MRCI,indep,,,,,,,,,,, -4098,033a8aba9509551966e79e329c1b1529,HChain10_2.00_2.00,HChain10,,,1472.0,-5.622574296114502,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4099,033a8aba9509551966e79e329c1b1529,HChain10_2.00_2.00,HChain10,,,2944.0,-5.6332001353479,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4100,033a8aba9509551966e79e329c1b1529,HChain10_2.00_2.00,HChain10,,,5888.0,-5.635657277224121,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4101,033a8aba9509551966e79e329c1b1529,HChain10_2.00_2.00,HChain10,,,11776.0,-5.637243474731445,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4102,033a8aba9509551966e79e329c1b1529,HChain10_2.00_2.00,HChain10,,,23552.0,-5.638121430880127,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4103,033a8aba9509551966e79e329c1b1529,HChain10_2.00_2.00,HChain10,,,47104.0,-5.637629235992431,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4104,033a8aba9509551966e79e329c1b1529,HChain10_2.00_2.00,HChain10,,,94208.0,-5.638118470916748,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4105,033a8aba9509551966e79e329c1b1529,HChain10_2.00_2.00,HChain10,,,188416.0,-5.639121470458984,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4106,033a8aba9509551966e79e329c1b1529,HChain10_2.00_2.00,HChain10,,,376832.0,-5.637972936651611,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4107,1b9f0490e3e1bdc8de5ae5d06771da5f,HChain10_1.90_2.50,HChain10,,,1472.0,-5.69676492940918,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4108,1b9f0490e3e1bdc8de5ae5d06771da5f,HChain10_1.90_2.50,HChain10,,,2944.0,-5.6984567476464845,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4109,1b9f0490e3e1bdc8de5ae5d06771da5f,HChain10_1.90_2.50,HChain10,,,5888.0,-5.699887259121094,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4110,1b9f0490e3e1bdc8de5ae5d06771da5f,HChain10_1.90_2.50,HChain10,,,11776.0,-5.700113288869629,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4111,1b9f0490e3e1bdc8de5ae5d06771da5f,HChain10_1.90_2.50,HChain10,,,23552.0,-5.700083856807861,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4112,1b9f0490e3e1bdc8de5ae5d06771da5f,HChain10_1.90_2.50,HChain10,,,47104.0,-5.700712196340332,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4113,1b9f0490e3e1bdc8de5ae5d06771da5f,HChain10_1.90_2.50,HChain10,,,94208.0,-5.700896732320556,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4114,1b9f0490e3e1bdc8de5ae5d06771da5f,HChain10_1.90_2.50,HChain10,,,188416.0,-5.700622604755859,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4115,1b9f0490e3e1bdc8de5ae5d06771da5f,HChain10_1.90_2.50,HChain10,,,376832.0,-5.700425171727295,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4116,5c945e1c52284aae487b92bc6ecf63eb,HChain10_2.20_2.60,HChain10,,,1472.0,-5.570826575012207,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4117,5c945e1c52284aae487b92bc6ecf63eb,HChain10_2.20_2.60,HChain10,,,2944.0,-5.580199763031006,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4118,5c945e1c52284aae487b92bc6ecf63eb,HChain10_2.20_2.60,HChain10,,,5888.0,-5.58359532043457,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4119,5c945e1c52284aae487b92bc6ecf63eb,HChain10_2.20_2.60,HChain10,,,11776.0,-5.586297394291992,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4120,5c945e1c52284aae487b92bc6ecf63eb,HChain10_2.20_2.60,HChain10,,,23552.0,-5.586805068101807,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4121,5c945e1c52284aae487b92bc6ecf63eb,HChain10_2.20_2.60,HChain10,,,47104.0,-5.586964489476318,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4122,5c945e1c52284aae487b92bc6ecf63eb,HChain10_2.20_2.60,HChain10,,,94208.0,-5.587048412816162,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4123,5c945e1c52284aae487b92bc6ecf63eb,HChain10_2.20_2.60,HChain10,,,188416.0,-5.586589336395264,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4124,5c945e1c52284aae487b92bc6ecf63eb,HChain10_2.20_2.60,HChain10,,,376832.0,-5.5865223846191405,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4125,9ba9afac2df9c11a138ef4615be01c68,HChain10_2.40,HChain10,,,1472.0,-5.513540283692628,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4126,9ba9afac2df9c11a138ef4615be01c68,HChain10_2.40,HChain10,,,2944.0,-5.514935986054688,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4127,9ba9afac2df9c11a138ef4615be01c68,HChain10_2.40,HChain10,,,5888.0,-5.515269295228272,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4128,9ba9afac2df9c11a138ef4615be01c68,HChain10_2.40,HChain10,,,11776.0,-5.514850714121094,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4129,9ba9afac2df9c11a138ef4615be01c68,HChain10_2.40,HChain10,,,23552.0,-5.5135620838916015,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4130,9ba9afac2df9c11a138ef4615be01c68,HChain10_2.40,HChain10,,,47104.0,-5.516470053110352,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4131,9ba9afac2df9c11a138ef4615be01c68,HChain10_2.40,HChain10,,,94208.0,-5.515233874968262,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4132,9ba9afac2df9c11a138ef4615be01c68,HChain10_2.40,HChain10,,,188416.0,-5.516138859926758,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4133,9ba9afac2df9c11a138ef4615be01c68,HChain10_2.40,HChain10,,,376832.0,-5.515979429226075,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4134,89c7c6b668ef1ae3b81cb4a68283a361,HChain10_1.70_2.70,HChain10,,,1472.0,-5.774425538411865,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4135,89c7c6b668ef1ae3b81cb4a68283a361,HChain10_1.70_2.70,HChain10,,,2944.0,-5.7787385305078125,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4136,89c7c6b668ef1ae3b81cb4a68283a361,HChain10_1.70_2.70,HChain10,,,5888.0,-5.780183442580566,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4137,89c7c6b668ef1ae3b81cb4a68283a361,HChain10_1.70_2.70,HChain10,,,11776.0,-5.780073698267822,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4138,89c7c6b668ef1ae3b81cb4a68283a361,HChain10_1.70_2.70,HChain10,,,23552.0,-5.781064637648925,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4139,89c7c6b668ef1ae3b81cb4a68283a361,HChain10_1.70_2.70,HChain10,,,47104.0,-5.780871446833496,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4140,89c7c6b668ef1ae3b81cb4a68283a361,HChain10_1.70_2.70,HChain10,,,94208.0,-5.781298287856445,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4141,89c7c6b668ef1ae3b81cb4a68283a361,HChain10_1.70_2.70,HChain10,,,188416.0,-5.781221005502929,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4142,89c7c6b668ef1ae3b81cb4a68283a361,HChain10_1.70_2.70,HChain10,,,376832.0,-5.781422215003662,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4143,e85691a0d56f3751dad99239009f01bf,HChain10_2.30_2.50,HChain10,,,1472.0,-5.540322236771241,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4144,e85691a0d56f3751dad99239009f01bf,HChain10_2.30_2.50,HChain10,,,2944.0,-5.544443656651612,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4145,e85691a0d56f3751dad99239009f01bf,HChain10_2.30_2.50,HChain10,,,5888.0,-5.546623654849854,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4146,e85691a0d56f3751dad99239009f01bf,HChain10_2.30_2.50,HChain10,,,11776.0,-5.5458798676965335,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4147,e85691a0d56f3751dad99239009f01bf,HChain10_2.30_2.50,HChain10,,,23552.0,-5.546824388260498,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4148,e85691a0d56f3751dad99239009f01bf,HChain10_2.30_2.50,HChain10,,,47104.0,-5.547283199453125,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4149,e85691a0d56f3751dad99239009f01bf,HChain10_2.30_2.50,HChain10,,,94208.0,-5.546959414764404,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4150,e85691a0d56f3751dad99239009f01bf,HChain10_2.30_2.50,HChain10,,,188416.0,-5.547923979011231,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4151,e85691a0d56f3751dad99239009f01bf,HChain10_2.30_2.50,HChain10,,,376832.0,-5.547826878270264,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4152,90661fd86ef4dda6f3911e84b3cfca59,HChain10_2.00_2.40,HChain10,,,1472.0,-5.6559370648156735,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4153,90661fd86ef4dda6f3911e84b3cfca59,HChain10_2.00_2.40,HChain10,,,2944.0,-5.649768751304931,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4154,90661fd86ef4dda6f3911e84b3cfca59,HChain10_2.00_2.40,HChain10,,,5888.0,-5.654230993431396,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4155,90661fd86ef4dda6f3911e84b3cfca59,HChain10_2.00_2.40,HChain10,,,11776.0,-5.65749642361206,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4156,90661fd86ef4dda6f3911e84b3cfca59,HChain10_2.00_2.40,HChain10,,,23552.0,-5.657840127719727,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4157,90661fd86ef4dda6f3911e84b3cfca59,HChain10_2.00_2.40,HChain10,,,47104.0,-5.657867402921142,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4158,90661fd86ef4dda6f3911e84b3cfca59,HChain10_2.00_2.40,HChain10,,,94208.0,-5.658299301064453,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4159,90661fd86ef4dda6f3911e84b3cfca59,HChain10_2.00_2.40,HChain10,,,188416.0,-5.660291194915772,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4160,90661fd86ef4dda6f3911e84b3cfca59,HChain10_2.00_2.40,HChain10,,,376832.0,-5.659402214429932,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4161,fb797544ab5cf2b8ddbc466c5adb44ce,HChain10_1.90_2.10,HChain10,,,1472.0,-5.666912389753418,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4162,fb797544ab5cf2b8ddbc466c5adb44ce,HChain10_1.90_2.10,HChain10,,,2944.0,-5.670366958642578,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4163,fb797544ab5cf2b8ddbc466c5adb44ce,HChain10_1.90_2.10,HChain10,,,5888.0,-5.671973899865723,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4164,fb797544ab5cf2b8ddbc466c5adb44ce,HChain10_1.90_2.10,HChain10,,,11776.0,-5.674113949295655,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4165,fb797544ab5cf2b8ddbc466c5adb44ce,HChain10_1.90_2.10,HChain10,,,23552.0,-5.67401763895874,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4166,fb797544ab5cf2b8ddbc466c5adb44ce,HChain10_1.90_2.10,HChain10,,,47104.0,-5.674171169754639,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4167,fb797544ab5cf2b8ddbc466c5adb44ce,HChain10_1.90_2.10,HChain10,,,94208.0,-5.673758716381836,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4168,fb797544ab5cf2b8ddbc466c5adb44ce,HChain10_1.90_2.10,HChain10,,,188416.0,-5.674757219196778,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4169,fb797544ab5cf2b8ddbc466c5adb44ce,HChain10_1.90_2.10,HChain10,,,376832.0,-5.67421322100708,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4170,c10ca1b01691621dc5d66589fc939991,HChain10_1.50_1.70,HChain10,,,1472.0,-5.641726545803222,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4171,c10ca1b01691621dc5d66589fc939991,HChain10_1.50_1.70,HChain10,,,2944.0,-5.659891605377197,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4172,c10ca1b01691621dc5d66589fc939991,HChain10_1.50_1.70,HChain10,,,5888.0,-5.660037046516114,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4173,c10ca1b01691621dc5d66589fc939991,HChain10_1.50_1.70,HChain10,,,11776.0,-5.661129307550049,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4174,c10ca1b01691621dc5d66589fc939991,HChain10_1.50_1.70,HChain10,,,23552.0,-5.66146329017334,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4175,c10ca1b01691621dc5d66589fc939991,HChain10_1.50_1.70,HChain10,,,47104.0,-5.661358666223145,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4176,c10ca1b01691621dc5d66589fc939991,HChain10_1.50_1.70,HChain10,,,94208.0,-5.662236343692627,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4177,c10ca1b01691621dc5d66589fc939991,HChain10_1.50_1.70,HChain10,,,188416.0,-5.66281718762085,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4178,c10ca1b01691621dc5d66589fc939991,HChain10_1.50_1.70,HChain10,,,376832.0,-5.662452935529785,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4179,ae03280a713d7d5af265aec07e4205ef,HChain10_1.00_1.80,HChain10,,,1472.0,-5.355165913065186,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4180,ae03280a713d7d5af265aec07e4205ef,HChain10_1.00_1.80,HChain10,,,2944.0,-5.360751583536377,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4181,ae03280a713d7d5af265aec07e4205ef,HChain10_1.00_1.80,HChain10,,,5888.0,-5.362413361032715,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4182,ae03280a713d7d5af265aec07e4205ef,HChain10_1.00_1.80,HChain10,,,11776.0,-5.364507137214356,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4183,ae03280a713d7d5af265aec07e4205ef,HChain10_1.00_1.80,HChain10,,,23552.0,-5.365553535360108,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4184,ae03280a713d7d5af265aec07e4205ef,HChain10_1.00_1.80,HChain10,,,47104.0,-5.365556655799561,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4185,ae03280a713d7d5af265aec07e4205ef,HChain10_1.00_1.80,HChain10,,,94208.0,-5.3675206865100105,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4186,ae03280a713d7d5af265aec07e4205ef,HChain10_1.00_1.80,HChain10,,,188416.0,-5.366067803980713,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4187,ae03280a713d7d5af265aec07e4205ef,HChain10_1.00_1.80,HChain10,,,376832.0,-5.366321622355957,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4188,5f88e6fb9e8089b42994f2fdf58faef1,HChain10_1.30_1.90,HChain10,,,1472.0,-5.6878400153137205,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4189,5f88e6fb9e8089b42994f2fdf58faef1,HChain10_1.30_1.90,HChain10,,,2944.0,-5.689021617791748,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4190,5f88e6fb9e8089b42994f2fdf58faef1,HChain10_1.30_1.90,HChain10,,,5888.0,-5.690108329675293,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4191,5f88e6fb9e8089b42994f2fdf58faef1,HChain10_1.30_1.90,HChain10,,,11776.0,-5.691225954056397,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4192,5f88e6fb9e8089b42994f2fdf58faef1,HChain10_1.30_1.90,HChain10,,,23552.0,-5.690022774183349,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4193,5f88e6fb9e8089b42994f2fdf58faef1,HChain10_1.30_1.90,HChain10,,,47104.0,-5.6914586505896,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4194,5f88e6fb9e8089b42994f2fdf58faef1,HChain10_1.30_1.90,HChain10,,,94208.0,-5.691765733719483,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4195,5f88e6fb9e8089b42994f2fdf58faef1,HChain10_1.30_1.90,HChain10,,,188416.0,-5.692537784576416,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4196,5f88e6fb9e8089b42994f2fdf58faef1,HChain10_1.30_1.90,HChain10,,,376832.0,-5.692594879154052,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4197,a24a68573ac4510ae53641ee95939e3d,HChain10_2.20,HChain10,,,1472.0,-5.572070105985108,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4198,a24a68573ac4510ae53641ee95939e3d,HChain10_2.20,HChain10,,,2944.0,-5.579366191342774,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4199,a24a68573ac4510ae53641ee95939e3d,HChain10_2.20,HChain10,,,5888.0,-5.581421836331788,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4200,a24a68573ac4510ae53641ee95939e3d,HChain10_2.20,HChain10,,,11776.0,-5.581146717071533,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4201,a24a68573ac4510ae53641ee95939e3d,HChain10_2.20,HChain10,,,23552.0,-5.582941039517823,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4202,a24a68573ac4510ae53641ee95939e3d,HChain10_2.20,HChain10,,,47104.0,-5.58280611038208,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4203,a24a68573ac4510ae53641ee95939e3d,HChain10_2.20,HChain10,,,94208.0,-5.583784042644044,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4204,a24a68573ac4510ae53641ee95939e3d,HChain10_2.20,HChain10,,,188416.0,-5.58486418489624,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4205,a24a68573ac4510ae53641ee95939e3d,HChain10_2.20,HChain10,,,376832.0,-5.584759831942139,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4206,4c0906be1e045f11f76d935fab44a749,HChain10_1.50_2.50,HChain10,,,1472.0,-5.807326770662842,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4207,4c0906be1e045f11f76d935fab44a749,HChain10_1.50_2.50,HChain10,,,2944.0,-5.810080505251465,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4208,4c0906be1e045f11f76d935fab44a749,HChain10_1.50_2.50,HChain10,,,5888.0,-5.81104514682251,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4209,4c0906be1e045f11f76d935fab44a749,HChain10_1.50_2.50,HChain10,,,11776.0,-5.813374570845947,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4210,4c0906be1e045f11f76d935fab44a749,HChain10_1.50_2.50,HChain10,,,23552.0,-5.812068916201172,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4211,4c0906be1e045f11f76d935fab44a749,HChain10_1.50_2.50,HChain10,,,47104.0,-5.813615850447998,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4212,4c0906be1e045f11f76d935fab44a749,HChain10_1.50_2.50,HChain10,,,94208.0,-5.813975259783935,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4213,4c0906be1e045f11f76d935fab44a749,HChain10_1.50_2.50,HChain10,,,188416.0,-5.812199100004882,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4214,4c0906be1e045f11f76d935fab44a749,HChain10_1.50_2.50,HChain10,,,376832.0,-5.813340006600342,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4215,4b5e438886b0f9d3b07bfdd3c2693578,HChain10_2.10_2.70,HChain10,,,1472.0,-5.624143340081787,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4216,4b5e438886b0f9d3b07bfdd3c2693578,HChain10_2.10_2.70,HChain10,,,2944.0,-5.625354029626465,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4217,4b5e438886b0f9d3b07bfdd3c2693578,HChain10_2.10_2.70,HChain10,,,5888.0,-5.626966216058349,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4218,4b5e438886b0f9d3b07bfdd3c2693578,HChain10_2.10_2.70,HChain10,,,11776.0,-5.628592075432128,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4219,4b5e438886b0f9d3b07bfdd3c2693578,HChain10_2.10_2.70,HChain10,,,23552.0,-5.627795435876465,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4220,4b5e438886b0f9d3b07bfdd3c2693578,HChain10_2.10_2.70,HChain10,,,47104.0,-5.628086151207275,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4221,4b5e438886b0f9d3b07bfdd3c2693578,HChain10_2.10_2.70,HChain10,,,94208.0,-5.626997590610351,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4222,4b5e438886b0f9d3b07bfdd3c2693578,HChain10_2.10_2.70,HChain10,,,188416.0,-5.628781718712158,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4223,4b5e438886b0f9d3b07bfdd3c2693578,HChain10_2.10_2.70,HChain10,,,376832.0,-5.628855643717041,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4224,b7ccc5c7c2cc483eab54fb9c6512a808,HChain10_2.00_2.80,HChain10,,,1472.0,-5.6664719581604,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4225,b7ccc5c7c2cc483eab54fb9c6512a808,HChain10_2.00_2.80,HChain10,,,2944.0,-5.6691575050354,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4226,b7ccc5c7c2cc483eab54fb9c6512a808,HChain10_2.00_2.80,HChain10,,,5888.0,-5.670164108276367,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4227,b7ccc5c7c2cc483eab54fb9c6512a808,HChain10_2.00_2.80,HChain10,,,11776.0,-5.671837973791504,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4228,b7ccc5c7c2cc483eab54fb9c6512a808,HChain10_2.00_2.80,HChain10,,,23552.0,-5.671271800994873,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4229,b7ccc5c7c2cc483eab54fb9c6512a808,HChain10_2.00_2.80,HChain10,,,47104.0,-5.672138381201171,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4230,b7ccc5c7c2cc483eab54fb9c6512a808,HChain10_2.00_2.80,HChain10,,,94208.0,-5.67210428670166,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4231,b7ccc5c7c2cc483eab54fb9c6512a808,HChain10_2.00_2.80,HChain10,,,188416.0,-5.671952016685791,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4232,b7ccc5c7c2cc483eab54fb9c6512a808,HChain10_2.00_2.80,HChain10,,,376832.0,-5.675566493540039,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4233,6524a62199385560ad296f67e160e5ae,HChain10_1.90_2.90,HChain10,,,1472.0,-5.713533650034179,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4234,6524a62199385560ad296f67e160e5ae,HChain10_1.90_2.90,HChain10,,,2944.0,-5.714586506479492,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4235,6524a62199385560ad296f67e160e5ae,HChain10_1.90_2.90,HChain10,,,5888.0,-5.7155034643347165,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4236,6524a62199385560ad296f67e160e5ae,HChain10_1.90_2.90,HChain10,,,11776.0,-5.715112487319336,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4237,6524a62199385560ad296f67e160e5ae,HChain10_1.90_2.90,HChain10,,,23552.0,-5.716000805490722,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4238,6524a62199385560ad296f67e160e5ae,HChain10_1.90_2.90,HChain10,,,47104.0,-5.715590278151855,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4239,6524a62199385560ad296f67e160e5ae,HChain10_1.90_2.90,HChain10,,,94208.0,-5.7154055537548825,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4240,6524a62199385560ad296f67e160e5ae,HChain10_1.90_2.90,HChain10,,,188416.0,-5.716319839969482,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4241,6524a62199385560ad296f67e160e5ae,HChain10_1.90_2.90,HChain10,,,376832.0,-5.71628810052124,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4242,0ff1e5e1dc6abf6c4ca7e2221e8bf0c4,HChain10_1.70_2.30,HChain10,,,1472.0,-5.749605189438476,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4243,0ff1e5e1dc6abf6c4ca7e2221e8bf0c4,HChain10_1.70_2.30,HChain10,,,2944.0,-5.7513990508276365,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4244,0ff1e5e1dc6abf6c4ca7e2221e8bf0c4,HChain10_1.70_2.30,HChain10,,,5888.0,-5.7523145781713865,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4245,0ff1e5e1dc6abf6c4ca7e2221e8bf0c4,HChain10_1.70_2.30,HChain10,,,11776.0,-5.751490621676026,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4246,0ff1e5e1dc6abf6c4ca7e2221e8bf0c4,HChain10_1.70_2.30,HChain10,,,23552.0,-5.752875338669433,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4247,0ff1e5e1dc6abf6c4ca7e2221e8bf0c4,HChain10_1.70_2.30,HChain10,,,47104.0,-5.7538609791894535,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4248,0ff1e5e1dc6abf6c4ca7e2221e8bf0c4,HChain10_1.70_2.30,HChain10,,,94208.0,-5.753376833450928,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4249,0ff1e5e1dc6abf6c4ca7e2221e8bf0c4,HChain10_1.70_2.30,HChain10,,,188416.0,-5.752870509178467,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4250,0ff1e5e1dc6abf6c4ca7e2221e8bf0c4,HChain10_1.70_2.30,HChain10,,,376832.0,-5.752949121501465,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4251,665c70da6f02fba9d6466b83a53b0fc0,HChain10_2.10_2.30,HChain10,,,1472.0,-5.600460144206543,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4252,665c70da6f02fba9d6466b83a53b0fc0,HChain10_2.10_2.30,HChain10,,,2944.0,-5.60982570283081,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4253,665c70da6f02fba9d6466b83a53b0fc0,HChain10_2.10_2.30,HChain10,,,5888.0,-5.6138874017443845,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4254,665c70da6f02fba9d6466b83a53b0fc0,HChain10_2.10_2.30,HChain10,,,11776.0,-5.615184757089843,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4255,665c70da6f02fba9d6466b83a53b0fc0,HChain10_2.10_2.30,HChain10,,,23552.0,-5.615749927684326,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4256,665c70da6f02fba9d6466b83a53b0fc0,HChain10_2.10_2.30,HChain10,,,47104.0,-5.617584201669922,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4257,665c70da6f02fba9d6466b83a53b0fc0,HChain10_2.10_2.30,HChain10,,,94208.0,-5.617909039077149,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4258,665c70da6f02fba9d6466b83a53b0fc0,HChain10_2.10_2.30,HChain10,,,188416.0,-5.618350590285645,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4259,665c70da6f02fba9d6466b83a53b0fc0,HChain10_2.10_2.30,HChain10,,,376832.0,-5.617959010263672,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4260,8f49c285e4556f185834e12d9c831540,HChain10_1.40_1.40,HChain10,,,1472.0,-5.4824412860913085,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4261,8f49c285e4556f185834e12d9c831540,HChain10_1.40_1.40,HChain10,,,2944.0,-5.484471181873779,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4262,8f49c285e4556f185834e12d9c831540,HChain10_1.40_1.40,HChain10,,,5888.0,-5.486109117512207,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4263,8f49c285e4556f185834e12d9c831540,HChain10_1.40_1.40,HChain10,,,11776.0,-5.487521592869873,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4264,8f49c285e4556f185834e12d9c831540,HChain10_1.40_1.40,HChain10,,,23552.0,-5.487316469196777,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4265,8f49c285e4556f185834e12d9c831540,HChain10_1.40_1.40,HChain10,,,47104.0,-5.488067571416016,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4266,8f49c285e4556f185834e12d9c831540,HChain10_1.40_1.40,HChain10,,,94208.0,-5.487735292706299,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4267,8f49c285e4556f185834e12d9c831540,HChain10_1.40_1.40,HChain10,,,188416.0,-5.487365483526611,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4268,8f49c285e4556f185834e12d9c831540,HChain10_1.40_1.40,HChain10,,,376832.0,-5.488083434345703,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4269,56e719941696479b51fe23c2cba90fb1,HChain10_1.70_1.90,HChain10,,,1472.0,-5.695020405629883,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4270,56e719941696479b51fe23c2cba90fb1,HChain10_1.70_1.90,HChain10,,,2944.0,-5.6967236679589845,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4271,56e719941696479b51fe23c2cba90fb1,HChain10_1.70_1.90,HChain10,,,5888.0,-5.697913376668701,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4272,56e719941696479b51fe23c2cba90fb1,HChain10_1.70_1.90,HChain10,,,11776.0,-5.694224259938965,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4273,56e719941696479b51fe23c2cba90fb1,HChain10_1.70_1.90,HChain10,,,23552.0,-5.698857037404785,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4274,56e719941696479b51fe23c2cba90fb1,HChain10_1.70_1.90,HChain10,,,47104.0,-5.696642301168213,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4275,56e719941696479b51fe23c2cba90fb1,HChain10_1.70_1.90,HChain10,,,94208.0,-5.699421447343751,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4276,56e719941696479b51fe23c2cba90fb1,HChain10_1.70_1.90,HChain10,,,188416.0,-5.699392837114258,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4277,56e719941696479b51fe23c2cba90fb1,HChain10_1.70_1.90,HChain10,,,376832.0,-5.698663972156982,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4278,c69742765ea83f8e2fd2d4f7eb00cff9,HChain10_1.30_2.30,HChain10,,,1472.0,-5.777307510375977,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4279,c69742765ea83f8e2fd2d4f7eb00cff9,HChain10_1.30_2.30,HChain10,,,2944.0,-5.777999877929688,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4280,c69742765ea83f8e2fd2d4f7eb00cff9,HChain10_1.30_2.30,HChain10,,,5888.0,-5.77858304977417,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4281,c69742765ea83f8e2fd2d4f7eb00cff9,HChain10_1.30_2.30,HChain10,,,11776.0,-5.777044890864258,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4282,c69742765ea83f8e2fd2d4f7eb00cff9,HChain10_1.30_2.30,HChain10,,,23552.0,-5.779229164123535,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4283,c69742765ea83f8e2fd2d4f7eb00cff9,HChain10_1.30_2.30,HChain10,,,47104.0,-5.7783442721203615,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4284,c69742765ea83f8e2fd2d4f7eb00cff9,HChain10_1.30_2.30,HChain10,,,94208.0,-5.779600066621094,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4285,c69742765ea83f8e2fd2d4f7eb00cff9,HChain10_1.30_2.30,HChain10,,,188416.0,-5.77936794682251,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4286,c69742765ea83f8e2fd2d4f7eb00cff9,HChain10_1.30_2.30,HChain10,,,376832.0,-5.779196285445557,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4287,2fc7cc6b1df8c1df35b922e571c57ca6,HChain10_1.50_2.10,HChain10,,,1472.0,-5.760269617695313,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4288,2fc7cc6b1df8c1df35b922e571c57ca6,HChain10_1.50_2.10,HChain10,,,2944.0,-5.761468863148194,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4289,2fc7cc6b1df8c1df35b922e571c57ca6,HChain10_1.50_2.10,HChain10,,,5888.0,-5.762411570209961,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4290,2fc7cc6b1df8c1df35b922e571c57ca6,HChain10_1.50_2.10,HChain10,,,11776.0,-5.76192045975708,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4291,2fc7cc6b1df8c1df35b922e571c57ca6,HChain10_1.50_2.10,HChain10,,,23552.0,-5.76284978355835,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4292,2fc7cc6b1df8c1df35b922e571c57ca6,HChain10_1.50_2.10,HChain10,,,47104.0,-5.762643344888916,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4293,2fc7cc6b1df8c1df35b922e571c57ca6,HChain10_1.50_2.10,HChain10,,,94208.0,-5.762689621810303,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4294,2fc7cc6b1df8c1df35b922e571c57ca6,HChain10_1.50_2.10,HChain10,,,188416.0,-5.76309061050415,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4295,2fc7cc6b1df8c1df35b922e571c57ca6,HChain10_1.50_2.10,HChain10,,,376832.0,-5.763524532318115,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4296,86771499bc9ff4d00aff8cb3001d4d47,HChain10_1.30_1.50,HChain10,,,1472.0,-5.5033599831396485,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4297,86771499bc9ff4d00aff8cb3001d4d47,HChain10_1.30_1.50,HChain10,,,2944.0,-5.506208608322754,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4298,86771499bc9ff4d00aff8cb3001d4d47,HChain10_1.30_1.50,HChain10,,,5888.0,-5.507323453598633,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4299,86771499bc9ff4d00aff8cb3001d4d47,HChain10_1.30_1.50,HChain10,,,11776.0,-5.508270536651612,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4300,86771499bc9ff4d00aff8cb3001d4d47,HChain10_1.30_1.50,HChain10,,,23552.0,-5.508465478592529,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4301,86771499bc9ff4d00aff8cb3001d4d47,HChain10_1.30_1.50,HChain10,,,47104.0,-5.509337221374512,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4302,86771499bc9ff4d00aff8cb3001d4d47,HChain10_1.30_1.50,HChain10,,,94208.0,-5.510070225012207,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4303,86771499bc9ff4d00aff8cb3001d4d47,HChain10_1.30_1.50,HChain10,,,188416.0,-5.510989166062012,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4304,86771499bc9ff4d00aff8cb3001d4d47,HChain10_1.30_1.50,HChain10,,,376832.0,-5.510282016556396,,,Scherbela_etal_2022_reuse,Scherbela_etal_2022,reuse,,,,,,,,2048.0,,, -4495,86771499bc9ff4d00aff8cb3001d4d47,HChain10_1.30_1.50,HChain10,0.0,eval,64.0,-5.447127618789673,0.0014333733976136,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/3w4ckdpc,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,3.0,,2048.0,,, -4496,86771499bc9ff4d00aff8cb3001d4d47,HChain10_1.30_1.50,HChain10,0.0,eval,250.0,-5.490655012130738,0.0004601153619938,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/3w4ckdpc,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,13.0,,2048.0,,, -4497,86771499bc9ff4d00aff8cb3001d4d47,HChain10_1.30_1.50,HChain10,0.0,eval,1000.0,-5.508841214179992,0.0001852921249092,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/3w4ckdpc,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,37.0,,2048.0,,, -4498,86771499bc9ff4d00aff8cb3001d4d47,HChain10_1.30_1.50,HChain10,0.0,eval,4000.0,-5.510375421047211,0.0001369989460873,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/3w4ckdpc,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,190.0,,2048.0,,, -4499,86771499bc9ff4d00aff8cb3001d4d47,HChain10_1.30_1.50,HChain10,0.0,eval,8000.0,-5.510478694438934,0.0001042375312742,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/3w4ckdpc,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,451.0,,2048.0,,, -4500,86771499bc9ff4d00aff8cb3001d4d47,HChain10_1.30_1.50,HChain10,0.0,eval,16000.0,-5.510738375186921,0.0001094884178602,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/3w4ckdpc,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,959.0,,2048.0,,, -4501,86771499bc9ff4d00aff8cb3001d4d47,HChain10_1.30_1.50,HChain10,0.0,eval,32000.0,-5.510958800315857,8.895404935742418e-05,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/3w4ckdpc,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,2068.0,,2048.0,,, -4502,2fc7cc6b1df8c1df35b922e571c57ca6,HChain10_1.50_2.10,HChain10,0.0,eval,64.0,-5.714414339065552,0.0012125655412691,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/bts0ftzx,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,3.0,,2048.0,,, -4503,2fc7cc6b1df8c1df35b922e571c57ca6,HChain10_1.50_2.10,HChain10,0.0,eval,250.0,-5.74452436208725,0.0004516535192126,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/bts0ftzx,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,10.0,,2048.0,,, -4504,2fc7cc6b1df8c1df35b922e571c57ca6,HChain10_1.50_2.10,HChain10,0.0,eval,1000.0,-5.761229207515717,0.0001764334651483,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/bts0ftzx,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,26.0,,2048.0,,, -4505,2fc7cc6b1df8c1df35b922e571c57ca6,HChain10_1.50_2.10,HChain10,0.0,eval,4000.0,-5.763056516647339,0.0001278660475035,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/bts0ftzx,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,96.0,,2048.0,,, -4506,2fc7cc6b1df8c1df35b922e571c57ca6,HChain10_1.50_2.10,HChain10,0.0,eval,8000.0,-5.763657562732696,9.937685185101688e-05,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/bts0ftzx,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,186.0,,2048.0,,, -4507,2fc7cc6b1df8c1df35b922e571c57ca6,HChain10_1.50_2.10,HChain10,0.0,eval,16000.0,-5.763912584781647,8.941664717708117e-05,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/bts0ftzx,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,364.0,,2048.0,,, -4508,2fc7cc6b1df8c1df35b922e571c57ca6,HChain10_1.50_2.10,HChain10,0.0,eval,32000.0,-5.763836712837219,6.944182010205018e-05,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/bts0ftzx,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,727.0,,2048.0,,, -4509,c69742765ea83f8e2fd2d4f7eb00cff9,HChain10_1.30_2.30,HChain10,0.0,eval,64.0,-5.7475696849823,0.0007650599944347,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/byj7fwe6,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,3.0,,2048.0,,, -4510,c69742765ea83f8e2fd2d4f7eb00cff9,HChain10_1.30_2.30,HChain10,0.0,eval,250.0,-5.769434289932251,0.0002583485495464,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/byj7fwe6,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,10.0,,2048.0,,, -4511,c69742765ea83f8e2fd2d4f7eb00cff9,HChain10_1.30_2.30,HChain10,0.0,eval,1000.0,-5.776211297512054,0.0001972238371156,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/byj7fwe6,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,27.0,,2048.0,,, -4512,c69742765ea83f8e2fd2d4f7eb00cff9,HChain10_1.30_2.30,HChain10,0.0,eval,4000.0,-5.779024972915649,0.0001406718141785,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/byj7fwe6,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,102.0,,2048.0,,, -4513,c69742765ea83f8e2fd2d4f7eb00cff9,HChain10_1.30_2.30,HChain10,0.0,eval,8000.0,-5.779390048980713,9.74961397643352e-05,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/byj7fwe6,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,203.0,,2048.0,,, -4514,c69742765ea83f8e2fd2d4f7eb00cff9,HChain10_1.30_2.30,HChain10,0.0,eval,16000.0,-5.779706411361694,9.021848887324726e-05,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/byj7fwe6,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,389.0,,2048.0,,, -4515,c69742765ea83f8e2fd2d4f7eb00cff9,HChain10_1.30_2.30,HChain10,0.0,eval,32000.0,-5.7798603868484495,6.867059142228326e-05,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/byj7fwe6,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,776.0,,2048.0,,, -4516,56e719941696479b51fe23c2cba90fb1,HChain10_1.70_1.90,HChain10,0.0,eval,64.0,-5.637003266811371,0.0011330665714915,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/zbln8f5l,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,3.0,,2048.0,,, -4517,56e719941696479b51fe23c2cba90fb1,HChain10_1.70_1.90,HChain10,0.0,eval,250.0,-5.670945320129395,0.0005422400378841,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/zbln8f5l,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,10.0,,2048.0,,, -4518,56e719941696479b51fe23c2cba90fb1,HChain10_1.70_1.90,HChain10,0.0,eval,1000.0,-5.696218602657318,0.0002277232081345,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/zbln8f5l,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,26.0,,2048.0,,, -4519,56e719941696479b51fe23c2cba90fb1,HChain10_1.70_1.90,HChain10,0.0,eval,4000.0,-5.698776671886444,0.0001185237113103,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/zbln8f5l,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,93.0,,2048.0,,, -4520,56e719941696479b51fe23c2cba90fb1,HChain10_1.70_1.90,HChain10,0.0,eval,8000.0,-5.699345932006836,9.791474211793209e-05,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/zbln8f5l,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,190.0,,2048.0,,, -4521,56e719941696479b51fe23c2cba90fb1,HChain10_1.70_1.90,HChain10,0.0,eval,16000.0,-5.699480443000794,8.166104851018184e-05,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/zbln8f5l,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,381.0,,2048.0,,, -4522,56e719941696479b51fe23c2cba90fb1,HChain10_1.70_1.90,HChain10,0.0,eval,32000.0,-5.699666199684143,7.123677978495874e-05,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/zbln8f5l,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,754.0,,2048.0,,, -4523,8f49c285e4556f185834e12d9c831540,HChain10_1.40_1.40,HChain10,0.0,eval,64.0,-5.419058139324188,0.0012924995265541,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/lh61nwr7,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,3.0,,2048.0,,, -4524,8f49c285e4556f185834e12d9c831540,HChain10_1.40_1.40,HChain10,0.0,eval,250.0,-5.46445249080658,0.0004619528547337,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/lh61nwr7,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,17.0,,2048.0,,, -4525,8f49c285e4556f185834e12d9c831540,HChain10_1.40_1.40,HChain10,0.0,eval,1000.0,-5.486139934062958,0.0002428708409503,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/lh61nwr7,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,263.0,,2048.0,,, -4526,8f49c285e4556f185834e12d9c831540,HChain10_1.40_1.40,HChain10,0.0,eval,4000.0,-5.487450811862946,0.0001480869205988,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/lh61nwr7,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,983.0,,2048.0,,, -4527,8f49c285e4556f185834e12d9c831540,HChain10_1.40_1.40,HChain10,0.0,eval,8000.0,-5.487988157272339,0.0001152867842857,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/lh61nwr7,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,2018.0,,2048.0,,, -4528,8f49c285e4556f185834e12d9c831540,HChain10_1.40_1.40,HChain10,0.0,eval,16000.0,-5.488215909004212,9.88023260768314e-05,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/lh61nwr7,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,4060.0,,2048.0,,, -4529,8f49c285e4556f185834e12d9c831540,HChain10_1.40_1.40,HChain10,0.0,eval,32000.0,-5.488483490943909,8.456876555913607e-05,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/lh61nwr7,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,8041.0,,2048.0,,, -4530,665c70da6f02fba9d6466b83a53b0fc0,HChain10_2.10_2.30,HChain10,0.0,eval,64.0,-5.55286987543106,0.0007849771983012,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/m9jspz52,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,3.0,,2048.0,,, -4531,665c70da6f02fba9d6466b83a53b0fc0,HChain10_2.10_2.30,HChain10,0.0,eval,250.0,-5.575553724765777,0.0007082934174277,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/m9jspz52,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,10.0,,2048.0,,, -4532,665c70da6f02fba9d6466b83a53b0fc0,HChain10_2.10_2.30,HChain10,0.0,eval,1000.0,-5.606718599796295,0.000262053778547,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/m9jspz52,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,27.0,,2048.0,,, -4533,665c70da6f02fba9d6466b83a53b0fc0,HChain10_2.10_2.30,HChain10,0.0,eval,4000.0,-5.618084139823914,0.0001272017254249,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/m9jspz52,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,97.0,,2048.0,,, -4534,665c70da6f02fba9d6466b83a53b0fc0,HChain10_2.10_2.30,HChain10,0.0,eval,8000.0,-5.618690991401673,0.0001000179148457,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/m9jspz52,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,186.0,,2048.0,,, -4535,665c70da6f02fba9d6466b83a53b0fc0,HChain10_2.10_2.30,HChain10,0.0,eval,16000.0,-5.619225432872772,7.749369659706337e-05,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/m9jspz52,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,370.0,,2048.0,,, -4536,665c70da6f02fba9d6466b83a53b0fc0,HChain10_2.10_2.30,HChain10,0.0,eval,32000.0,-5.61912978887558,6.643535276193225e-05,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/m9jspz52,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,726.0,,2048.0,,, -4537,0ff1e5e1dc6abf6c4ca7e2221e8bf0c4,HChain10_1.70_2.30,HChain10,0.0,eval,64.0,-5.694570591449738,0.0012869413867464,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/64zwa5tu,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,3.0,,2048.0,,, -4538,0ff1e5e1dc6abf6c4ca7e2221e8bf0c4,HChain10_1.70_2.30,HChain10,0.0,eval,250.0,-5.726644470691681,0.0007088185811868,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/64zwa5tu,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,10.0,,2048.0,,, -4539,0ff1e5e1dc6abf6c4ca7e2221e8bf0c4,HChain10_1.70_2.30,HChain10,0.0,eval,1000.0,-5.748858816623688,0.0002010178585908,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/64zwa5tu,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,26.0,,2048.0,,, -4540,0ff1e5e1dc6abf6c4ca7e2221e8bf0c4,HChain10_1.70_2.30,HChain10,0.0,eval,4000.0,-5.753106684684753,0.0001243565440818,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/64zwa5tu,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,102.0,,2048.0,,, -4541,0ff1e5e1dc6abf6c4ca7e2221e8bf0c4,HChain10_1.70_2.30,HChain10,0.0,eval,8000.0,-5.753405091762542,7.880974371136678e-05,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/64zwa5tu,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,191.0,,2048.0,,, -4542,0ff1e5e1dc6abf6c4ca7e2221e8bf0c4,HChain10_1.70_2.30,HChain10,0.0,eval,16000.0,-5.753585238456726,7.52922946990382e-05,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/64zwa5tu,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,365.0,,2048.0,,, -4543,0ff1e5e1dc6abf6c4ca7e2221e8bf0c4,HChain10_1.70_2.30,HChain10,0.0,eval,32000.0,-5.753822829723358,6.325458355114733e-05,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/64zwa5tu,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,716.0,,2048.0,,, -4544,6524a62199385560ad296f67e160e5ae,HChain10_1.90_2.90,HChain10,0.0,eval,64.0,-5.646469342708588,0.0015065845257079,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/fpqstdhd,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,3.0,,2048.0,,, -4545,6524a62199385560ad296f67e160e5ae,HChain10_1.90_2.90,HChain10,0.0,eval,250.0,-5.685229997634888,0.0007803214304825,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/fpqstdhd,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,10.0,,2048.0,,, -4546,6524a62199385560ad296f67e160e5ae,HChain10_1.90_2.90,HChain10,0.0,eval,1000.0,-5.711091730594635,0.0002271241327274,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/fpqstdhd,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,27.0,,2048.0,,, -4547,6524a62199385560ad296f67e160e5ae,HChain10_1.90_2.90,HChain10,0.0,eval,4000.0,-5.716207783222199,0.0001156199955388,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/fpqstdhd,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,99.0,,2048.0,,, -4548,6524a62199385560ad296f67e160e5ae,HChain10_1.90_2.90,HChain10,0.0,eval,8000.0,-5.71657427072525,9.292900323705698e-05,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/fpqstdhd,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,188.0,,2048.0,,, -4549,6524a62199385560ad296f67e160e5ae,HChain10_1.90_2.90,HChain10,0.0,eval,16000.0,-5.716779012680053,8.144151071365767e-05,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/fpqstdhd,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,368.0,,2048.0,,, -4550,6524a62199385560ad296f67e160e5ae,HChain10_1.90_2.90,HChain10,0.0,eval,32000.0,-5.716948566436767,6.45396983844647e-05,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/fpqstdhd,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,717.0,,2048.0,,, -4551,b7ccc5c7c2cc483eab54fb9c6512a808,HChain10_2.00_2.80,HChain10,0.0,eval,64.0,-5.595892987251282,0.0015424964743954,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/b01q27zp,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,3.0,,2048.0,,, -4552,b7ccc5c7c2cc483eab54fb9c6512a808,HChain10_2.00_2.80,HChain10,0.0,eval,250.0,-5.631375517845154,0.0010286473202632,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/b01q27zp,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,10.0,,2048.0,,, -4553,b7ccc5c7c2cc483eab54fb9c6512a808,HChain10_2.00_2.80,HChain10,0.0,eval,1000.0,-5.66341197013855,0.0002624202117654,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/b01q27zp,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,27.0,,2048.0,,, -4554,b7ccc5c7c2cc483eab54fb9c6512a808,HChain10_2.00_2.80,HChain10,0.0,eval,4000.0,-5.671822719573974,0.0001111097118448,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/b01q27zp,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,93.0,,2048.0,,, -4555,b7ccc5c7c2cc483eab54fb9c6512a808,HChain10_2.00_2.80,HChain10,0.0,eval,8000.0,-5.672667374610901,9.21974209645097e-05,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/b01q27zp,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,185.0,,2048.0,,, -4556,b7ccc5c7c2cc483eab54fb9c6512a808,HChain10_2.00_2.80,HChain10,0.0,eval,16000.0,-5.672978036403656,7.144901079820425e-05,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/b01q27zp,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,363.0,,2048.0,,, -4557,b7ccc5c7c2cc483eab54fb9c6512a808,HChain10_2.00_2.80,HChain10,0.0,eval,32000.0,-5.673074743747711,5.977330609365077e-05,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/b01q27zp,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,717.0,,2048.0,,, -4558,4b5e438886b0f9d3b07bfdd3c2693578,HChain10_2.10_2.70,HChain10,0.0,eval,64.0,-5.554024682044983,0.0009318891993125,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/b6cg6amv,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,2.0,,2048.0,,, -4559,4b5e438886b0f9d3b07bfdd3c2693578,HChain10_2.10_2.70,HChain10,0.0,eval,250.0,-5.581222388744354,0.000874999387552,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/b6cg6amv,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,10.0,,2048.0,,, -4560,4b5e438886b0f9d3b07bfdd3c2693578,HChain10_2.10_2.70,HChain10,0.0,eval,1000.0,-5.615674064159394,0.0003118804758614,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/b6cg6amv,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,26.0,,2048.0,,, -4561,4b5e438886b0f9d3b07bfdd3c2693578,HChain10_2.10_2.70,HChain10,0.0,eval,4000.0,-5.628498659133912,0.000125260036069,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/b6cg6amv,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,93.0,,2048.0,,, -4562,4b5e438886b0f9d3b07bfdd3c2693578,HChain10_2.10_2.70,HChain10,0.0,eval,8000.0,-5.628724956512452,9.476221298121169e-05,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/b6cg6amv,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,182.0,,2048.0,,, -4563,4b5e438886b0f9d3b07bfdd3c2693578,HChain10_2.10_2.70,HChain10,0.0,eval,16000.0,-5.629136719703674,7.900961592490983e-05,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/b6cg6amv,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,362.0,,2048.0,,, -4564,4b5e438886b0f9d3b07bfdd3c2693578,HChain10_2.10_2.70,HChain10,0.0,eval,32000.0,-5.629272210597992,6.110196777612501e-05,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/b6cg6amv,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,723.0,,2048.0,,, -4565,4c0906be1e045f11f76d935fab44a749,HChain10_1.50_2.50,HChain10,0.0,eval,64.0,-5.773947815895081,0.0010036149112572,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/5glz5c7r,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,3.0,,2048.0,,, -4566,4c0906be1e045f11f76d935fab44a749,HChain10_1.50_2.50,HChain10,0.0,eval,250.0,-5.801409549713135,0.0002525416240419,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/5glz5c7r,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,10.0,,2048.0,,, -4567,4c0906be1e045f11f76d935fab44a749,HChain10_1.50_2.50,HChain10,0.0,eval,1000.0,-5.81092946767807,0.0002148331341657,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/5glz5c7r,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,26.0,,2048.0,,, -4568,4c0906be1e045f11f76d935fab44a749,HChain10_1.50_2.50,HChain10,0.0,eval,4000.0,-5.813553605079651,0.0001165298611833,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/5glz5c7r,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,93.0,,2048.0,,, -4569,4c0906be1e045f11f76d935fab44a749,HChain10_1.50_2.50,HChain10,0.0,eval,8000.0,-5.814198274612426,9.757817936572393e-05,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/5glz5c7r,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,183.0,,2048.0,,, -4570,4c0906be1e045f11f76d935fab44a749,HChain10_1.50_2.50,HChain10,0.0,eval,16000.0,-5.814377701282501,8.232436235489261e-05,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/5glz5c7r,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,365.0,,2048.0,,, -4571,4c0906be1e045f11f76d935fab44a749,HChain10_1.50_2.50,HChain10,0.0,eval,32000.0,-5.814624238014221,6.497249898222983e-05,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/5glz5c7r,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,721.0,,2048.0,,, -4572,a24a68573ac4510ae53641ee95939e3d,HChain10_2.20,HChain10,0.0,eval,64.0,-5.524931199550629,0.0004522260059115,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/xrkq7qgg,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,2.0,,2048.0,,, -4573,a24a68573ac4510ae53641ee95939e3d,HChain10_2.20,HChain10,0.0,eval,250.0,-5.542798817157745,0.0004190524694949,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/xrkq7qgg,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,10.0,,2048.0,,, -4574,a24a68573ac4510ae53641ee95939e3d,HChain10_2.20,HChain10,0.0,eval,1000.0,-5.569654138088226,0.0002658680830521,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/xrkq7qgg,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,28.0,,2048.0,,, -4575,a24a68573ac4510ae53641ee95939e3d,HChain10_2.20,HChain10,0.0,eval,4000.0,-5.583245387077332,0.0001390365576111,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/xrkq7qgg,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,115.0,,2048.0,,, -4576,a24a68573ac4510ae53641ee95939e3d,HChain10_2.20,HChain10,0.0,eval,8000.0,-5.584114367961884,0.0001022899237846,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/xrkq7qgg,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,233.0,,2048.0,,, -4577,a24a68573ac4510ae53641ee95939e3d,HChain10_2.20,HChain10,0.0,eval,16000.0,-5.584355845451355,8.685069018284616e-05,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/xrkq7qgg,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,448.0,,2048.0,,, -4578,a24a68573ac4510ae53641ee95939e3d,HChain10_2.20,HChain10,0.0,eval,32000.0,-5.584598288536072,9.140160673115651e-05,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/xrkq7qgg,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,867.0,,2048.0,,, -4579,5f88e6fb9e8089b42994f2fdf58faef1,HChain10_1.30_1.90,HChain10,0.0,eval,64.0,-5.64470002412796,0.0014666937952829,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/4mizj22w,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,3.0,,2048.0,,, -4580,5f88e6fb9e8089b42994f2fdf58faef1,HChain10_1.30_1.90,HChain10,0.0,eval,250.0,-5.67708034992218,0.0004973058597079,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/4mizj22w,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,10.0,,2048.0,,, -4581,5f88e6fb9e8089b42994f2fdf58faef1,HChain10_1.30_1.90,HChain10,0.0,eval,1000.0,-5.689735152721405,0.0002109534951637,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/4mizj22w,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,27.0,,2048.0,,, -4582,5f88e6fb9e8089b42994f2fdf58faef1,HChain10_1.30_1.90,HChain10,0.0,eval,4000.0,-5.691800463199615,0.00013405267895,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/4mizj22w,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,102.0,,2048.0,,, -4583,5f88e6fb9e8089b42994f2fdf58faef1,HChain10_1.30_1.90,HChain10,0.0,eval,8000.0,-5.69197245836258,0.0001012945200107,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/4mizj22w,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,204.0,,2048.0,,, -4584,5f88e6fb9e8089b42994f2fdf58faef1,HChain10_1.30_1.90,HChain10,0.0,eval,16000.0,-5.692219779491425,8.57081714780755e-05,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/4mizj22w,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,408.0,,2048.0,,, -4585,5f88e6fb9e8089b42994f2fdf58faef1,HChain10_1.30_1.90,HChain10,0.0,eval,32000.0,-5.69248286485672,7.900151359777466e-05,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/4mizj22w,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,810.0,,2048.0,,, -4586,ae03280a713d7d5af265aec07e4205ef,HChain10_1.00_1.80,HChain10,0.0,eval,64.0,-5.324902219772339,0.0010838735348959,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/iwc96ndw,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,2.0,,2048.0,,, -4587,ae03280a713d7d5af265aec07e4205ef,HChain10_1.00_1.80,HChain10,0.0,eval,250.0,-5.359482638835907,0.0003654207642808,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/iwc96ndw,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,20.0,,2048.0,,, -4588,ae03280a713d7d5af265aec07e4205ef,HChain10_1.00_1.80,HChain10,0.0,eval,1000.0,-5.365059409141541,0.0002464220499083,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/iwc96ndw,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,168.0,,2048.0,,, -4589,ae03280a713d7d5af265aec07e4205ef,HChain10_1.00_1.80,HChain10,0.0,eval,4000.0,-5.366482203006744,0.0001533057486689,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/iwc96ndw,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,715.0,,2048.0,,, -4590,ae03280a713d7d5af265aec07e4205ef,HChain10_1.00_1.80,HChain10,0.0,eval,8000.0,-5.366790692806244,0.0001163927561765,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/iwc96ndw,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,1439.0,,2048.0,,, -4591,ae03280a713d7d5af265aec07e4205ef,HChain10_1.00_1.80,HChain10,0.0,eval,16000.0,-5.367138738632202,0.0001072051789295,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/iwc96ndw,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,3019.0,,2048.0,,, -4592,ae03280a713d7d5af265aec07e4205ef,HChain10_1.00_1.80,HChain10,0.0,eval,32000.0,-5.3671943163871765,9.278180712661093e-05,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/iwc96ndw,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,6194.0,,2048.0,,, -4593,c10ca1b01691621dc5d66589fc939991,HChain10_1.50_1.70,HChain10,0.0,eval,64.0,-5.596084921360016,0.0013849264234142,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/j77b8mq3,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,3.0,,2048.0,,, -4594,c10ca1b01691621dc5d66589fc939991,HChain10_1.50_1.70,HChain10,0.0,eval,250.0,-5.636541428565979,0.0006912929838829,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/j77b8mq3,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,10.0,,2048.0,,, -4595,c10ca1b01691621dc5d66589fc939991,HChain10_1.50_1.70,HChain10,0.0,eval,1000.0,-5.661266424655914,0.000229993222374,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/j77b8mq3,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,27.0,,2048.0,,, -4596,c10ca1b01691621dc5d66589fc939991,HChain10_1.50_1.70,HChain10,0.0,eval,4000.0,-5.662133777141571,0.0001544108749315,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/j77b8mq3,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,101.0,,2048.0,,, -4597,c10ca1b01691621dc5d66589fc939991,HChain10_1.50_1.70,HChain10,0.0,eval,8000.0,-5.6628140616416935,0.0001109785260388,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/j77b8mq3,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,207.0,,2048.0,,, -4598,c10ca1b01691621dc5d66589fc939991,HChain10_1.50_1.70,HChain10,0.0,eval,16000.0,-5.6626728868484495,8.974180874054238e-05,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/j77b8mq3,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,425.0,,2048.0,,, -4599,c10ca1b01691621dc5d66589fc939991,HChain10_1.50_1.70,HChain10,0.0,eval,32000.0,-5.663047025203705,6.935177109589979e-05,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/j77b8mq3,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,885.0,,2048.0,,, -4600,fb797544ab5cf2b8ddbc466c5adb44ce,HChain10_1.90_2.10,HChain10,0.0,eval,64.0,-5.609947247505188,0.0010389403730655,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/h9egoi3m,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,3.0,,2048.0,,, -4601,fb797544ab5cf2b8ddbc466c5adb44ce,HChain10_1.90_2.10,HChain10,0.0,eval,250.0,-5.640891168117523,0.0006148138606033,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/h9egoi3m,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,10.0,,2048.0,,, -4602,fb797544ab5cf2b8ddbc466c5adb44ce,HChain10_1.90_2.10,HChain10,0.0,eval,1000.0,-5.668294615745545,0.000211915677144,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/h9egoi3m,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,26.0,,2048.0,,, -4603,fb797544ab5cf2b8ddbc466c5adb44ce,HChain10_1.90_2.10,HChain10,0.0,eval,4000.0,-5.674263262748719,0.0001314088882958,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/h9egoi3m,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,92.0,,2048.0,,, -4604,fb797544ab5cf2b8ddbc466c5adb44ce,HChain10_1.90_2.10,HChain10,0.0,eval,8000.0,-5.6751394033432,0.000103169787005,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/h9egoi3m,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,182.0,,2048.0,,, -4605,fb797544ab5cf2b8ddbc466c5adb44ce,HChain10_1.90_2.10,HChain10,0.0,eval,16000.0,-5.675109484195709,7.939119488447467e-05,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/h9egoi3m,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,365.0,,2048.0,,, -4606,fb797544ab5cf2b8ddbc466c5adb44ce,HChain10_1.90_2.10,HChain10,0.0,eval,32000.0,-5.675234925746918,6.483364778728214e-05,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/h9egoi3m,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,731.0,,2048.0,,, -4607,90661fd86ef4dda6f3911e84b3cfca59,HChain10_2.00_2.40,HChain10,0.0,eval,64.0,-5.588852827548981,0.0010315049995365,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/rg1i94hi,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,3.0,,2048.0,,, -4608,90661fd86ef4dda6f3911e84b3cfca59,HChain10_2.00_2.40,HChain10,0.0,eval,250.0,-5.618578972816468,0.0008715033155287,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/rg1i94hi,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,10.0,,2048.0,,, -4609,90661fd86ef4dda6f3911e84b3cfca59,HChain10_2.00_2.40,HChain10,0.0,eval,1000.0,-5.649968729019165,0.0002320965381123,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/rg1i94hi,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,26.0,,2048.0,,, -4610,90661fd86ef4dda6f3911e84b3cfca59,HChain10_2.00_2.40,HChain10,0.0,eval,4000.0,-5.658543517589569,0.0001325754366492,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/rg1i94hi,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,93.0,,2048.0,,, -4611,90661fd86ef4dda6f3911e84b3cfca59,HChain10_2.00_2.40,HChain10,0.0,eval,8000.0,-5.659078397750855,8.892096603672175e-05,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/rg1i94hi,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,184.0,,2048.0,,, -4612,90661fd86ef4dda6f3911e84b3cfca59,HChain10_2.00_2.40,HChain10,0.0,eval,16000.0,-5.65923139333725,7.559862457400684e-05,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/rg1i94hi,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,361.0,,2048.0,,, -4613,90661fd86ef4dda6f3911e84b3cfca59,HChain10_2.00_2.40,HChain10,0.0,eval,32000.0,-5.659363932609558,5.512215406276852e-05,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/rg1i94hi,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,715.0,,2048.0,,, -4614,e85691a0d56f3751dad99239009f01bf,HChain10_2.30_2.50,HChain10,0.0,eval,64.0,-5.481736862659455,0.0004783921356187,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/023l60mb,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,3.0,,2048.0,,, -4615,e85691a0d56f3751dad99239009f01bf,HChain10_2.30_2.50,HChain10,0.0,eval,250.0,-5.494205577373505,0.0006355767268561,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/023l60mb,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,10.0,,2048.0,,, -4616,e85691a0d56f3751dad99239009f01bf,HChain10_2.30_2.50,HChain10,0.0,eval,1000.0,-5.528665094375611,0.0003362177858357,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/023l60mb,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,27.0,,2048.0,,, -4617,e85691a0d56f3751dad99239009f01bf,HChain10_2.30_2.50,HChain10,0.0,eval,4000.0,-5.547411217689514,0.0001381902206106,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/023l60mb,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,95.0,,2048.0,,, -4618,e85691a0d56f3751dad99239009f01bf,HChain10_2.30_2.50,HChain10,0.0,eval,8000.0,-5.548239390850068,9.946889018048392e-05,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/023l60mb,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,190.0,,2048.0,,, -4619,e85691a0d56f3751dad99239009f01bf,HChain10_2.30_2.50,HChain10,0.0,eval,16000.0,-5.548431205749512,8.072943582720446e-05,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/023l60mb,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,374.0,,2048.0,,, -4620,e85691a0d56f3751dad99239009f01bf,HChain10_2.30_2.50,HChain10,0.0,eval,32000.0,-5.548669934272766,7.10004331695883e-05,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/023l60mb,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,745.0,,2048.0,,, -4621,89c7c6b668ef1ae3b81cb4a68283a361,HChain10_1.70_2.70,HChain10,0.0,eval,64.0,-5.723948495388031,0.0015376220400049,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/y9us4673,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,3.0,,2048.0,,, -4622,89c7c6b668ef1ae3b81cb4a68283a361,HChain10_1.70_2.70,HChain10,0.0,eval,250.0,-5.760487608909607,0.0006582770254146,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/y9us4673,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,10.0,,2048.0,,, -4623,89c7c6b668ef1ae3b81cb4a68283a361,HChain10_1.70_2.70,HChain10,0.0,eval,1000.0,-5.779031796455383,0.0002016751169612,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/y9us4673,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,26.0,,2048.0,,, -4624,89c7c6b668ef1ae3b81cb4a68283a361,HChain10_1.70_2.70,HChain10,0.0,eval,4000.0,-5.781664500236511,0.000136784223999,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/y9us4673,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,93.0,,2048.0,,, -4625,89c7c6b668ef1ae3b81cb4a68283a361,HChain10_1.70_2.70,HChain10,0.0,eval,8000.0,-5.78200763463974,9.22794226491637e-05,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/y9us4673,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,181.0,,2048.0,,, -4626,89c7c6b668ef1ae3b81cb4a68283a361,HChain10_1.70_2.70,HChain10,0.0,eval,16000.0,-5.782352941036224,8.134299871602016e-05,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/y9us4673,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,355.0,,2048.0,,, -4627,89c7c6b668ef1ae3b81cb4a68283a361,HChain10_1.70_2.70,HChain10,0.0,eval,32000.0,-5.782620844841003,6.160761072765815e-05,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/y9us4673,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,714.0,,2048.0,,, -4628,9ba9afac2df9c11a138ef4615be01c68,HChain10_2.40,HChain10,0.0,eval,64.0,-5.468333246707917,0.001184301838685,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/lhif056v,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,2.0,,2048.0,,, -4629,9ba9afac2df9c11a138ef4615be01c68,HChain10_2.40,HChain10,0.0,eval,250.0,-5.471795887947082,0.0005741765328952,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/lhif056v,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,10.0,,2048.0,,, -4630,9ba9afac2df9c11a138ef4615be01c68,HChain10_2.40,HChain10,0.0,eval,1000.0,-5.49626264333725,0.0002965970625646,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/lhif056v,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,27.0,,2048.0,,, -4631,9ba9afac2df9c11a138ef4615be01c68,HChain10_2.40,HChain10,0.0,eval,4000.0,-5.5152498459815975,0.0001531183186674,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/lhif056v,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,265.0,,2048.0,,, -4632,9ba9afac2df9c11a138ef4615be01c68,HChain10_2.40,HChain10,0.0,eval,8000.0,-5.515989997386932,0.0001130478703191,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/lhif056v,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,443.0,,2048.0,,, -4633,9ba9afac2df9c11a138ef4615be01c68,HChain10_2.40,HChain10,0.0,eval,16000.0,-5.516431732177734,9.150970202904582e-05,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/lhif056v,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,752.0,,2048.0,,, -4634,9ba9afac2df9c11a138ef4615be01c68,HChain10_2.40,HChain10,0.0,eval,32000.0,-5.516761417388916,8.350170123465513e-05,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/lhif056v,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,1357.0,,2048.0,,, -4635,5c945e1c52284aae487b92bc6ecf63eb,HChain10_2.20_2.60,HChain10,0.0,eval,64.0,-5.513853693008423,0.0006323895531369,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/7cts8i0i,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,2.0,,2048.0,,, -4636,5c945e1c52284aae487b92bc6ecf63eb,HChain10_2.20_2.60,HChain10,0.0,eval,250.0,-5.533414573669433,0.0007779633124662,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/7cts8i0i,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,10.0,,2048.0,,, -4637,5c945e1c52284aae487b92bc6ecf63eb,HChain10_2.20_2.60,HChain10,0.0,eval,1000.0,-5.570339651107788,0.0003894776846399,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/7cts8i0i,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,26.0,,2048.0,,, -4638,5c945e1c52284aae487b92bc6ecf63eb,HChain10_2.20_2.60,HChain10,0.0,eval,4000.0,-5.585979418754578,0.0001173178661103,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/7cts8i0i,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,96.0,,2048.0,,, -4639,5c945e1c52284aae487b92bc6ecf63eb,HChain10_2.20_2.60,HChain10,0.0,eval,8000.0,-5.586746573448181,0.0001051697444432,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/7cts8i0i,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,189.0,,2048.0,,, -4640,5c945e1c52284aae487b92bc6ecf63eb,HChain10_2.20_2.60,HChain10,0.0,eval,16000.0,-5.587074918746948,7.9354137338613e-05,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/7cts8i0i,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,372.0,,2048.0,,, -4641,5c945e1c52284aae487b92bc6ecf63eb,HChain10_2.20_2.60,HChain10,0.0,eval,32000.0,-5.587001340389252,6.341950753354408e-05,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/7cts8i0i,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,736.0,,2048.0,,, -4642,1b9f0490e3e1bdc8de5ae5d06771da5f,HChain10_1.90_2.50,HChain10,0.0,eval,64.0,-5.63304125547409,0.0012696524151973,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/j9biegma,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,3.0,,2048.0,,, -4643,1b9f0490e3e1bdc8de5ae5d06771da5f,HChain10_1.90_2.50,HChain10,0.0,eval,250.0,-5.666940455436706,0.0008155280065041,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/j9biegma,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,10.0,,2048.0,,, -4644,1b9f0490e3e1bdc8de5ae5d06771da5f,HChain10_1.90_2.50,HChain10,0.0,eval,1000.0,-5.695399105548859,0.0002088145216746,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/j9biegma,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,28.0,,2048.0,,, -4645,1b9f0490e3e1bdc8de5ae5d06771da5f,HChain10_1.90_2.50,HChain10,0.0,eval,4000.0,-5.7010262179374696,0.0001302111321599,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/j9biegma,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,92.0,,2048.0,,, -4646,1b9f0490e3e1bdc8de5ae5d06771da5f,HChain10_1.90_2.50,HChain10,0.0,eval,8000.0,-5.701233041286469,8.19255905162218e-05,https://wandb.ai/schroedinger_univie/gao_shared_hchains/runs/j9biegma,2023-03-01_gao_23xHChain10_reuseshared_from_23xHChain6_v2_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_23geoms_HChain6,64000.0,23.0,181.0,,2048.0,,, 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-5986,d3f19e2a53c48d0787e7557d9753127b,Cyclobutadiene_1,Cyclobutadiene,,,200000.0,-154.67648010776753,,,Gao_et_al_2022_Ferminet_Cyclobutadiene,Gao_et_al_2022_Ferminet,indep,,,,,,200000.0,,4096.0,,, -5987,510c19f6e48f0c0d80b9824d8182a98e,Cyclobutadiene_0,Cyclobutadiene,,,200000.0,-154.66138528557445,,,Gao_et_al_2022_Ferminet_Cyclobutadiene,Gao_et_al_2022_Ferminet,indep,,,,,,200000.0,,4096.0,,, -5998,510c19f6e48f0c0d80b9824d8182a98e,Cyclobutadiene_0,Cyclobutadiene,,eval,64.0,-150.59040377687896,,,Gao_etal_2023_pretrained_on_smaller,Gao_etal_2023,reuseshared,,,,,,,,4096.0,,, -5999,d3f19e2a53c48d0787e7557d9753127b,Cyclobutadiene_1,Cyclobutadiene,,eval,64.0,-149.83665956459947,,,Gao_etal_2023_pretrained_on_smaller,Gao_etal_2023,reuseshared,,,,,,,,4096.0,,, -6000,510c19f6e48f0c0d80b9824d8182a98e,Cyclobutadiene_0,Cyclobutadiene,,eval,256.0,-153.04372498993985,,,Gao_etal_2023_pretrained_on_smaller,Gao_etal_2023,reuseshared,,,,,,,,4096.0,,, -6001,d3f19e2a53c48d0787e7557d9753127b,Cyclobutadiene_1,Cyclobutadiene,,eval,256.0,-152.69416404354595,,,Gao_etal_2023_pretrained_on_smaller,Gao_etal_2023,reuseshared,,,,,,,,4096.0,,, -6002,510c19f6e48f0c0d80b9824d8182a98e,Cyclobutadiene_0,Cyclobutadiene,,eval,1024.0,-154.20969066760497,,,Gao_etal_2023_pretrained_on_smaller,Gao_etal_2023,reuseshared,,,,,,,,4096.0,,, -6003,d3f19e2a53c48d0787e7557d9753127b,Cyclobutadiene_1,Cyclobutadiene,,eval,1024.0,-154.19194555912495,,,Gao_etal_2023_pretrained_on_smaller,Gao_etal_2023,reuseshared,,,,,,,,4096.0,,, -6004,d3f19e2a53c48d0787e7557d9753127b,Cyclobutadiene_1,Cyclobutadiene,,eval,4096.0,-154.61413833750612,,,Gao_etal_2023_pretrained_on_smaller,Gao_etal_2023,reuseshared,,,,,,,,4096.0,,, -6005,510c19f6e48f0c0d80b9824d8182a98e,Cyclobutadiene_0,Cyclobutadiene,,eval,4096.0,-154.53019319560107,,,Gao_etal_2023_pretrained_on_smaller,Gao_etal_2023,reuseshared,,,,,,,,4096.0,,, -6006,510c19f6e48f0c0d80b9824d8182a98e,Cyclobutadiene_0,Cyclobutadiene,,eval,16384.0,-154.62443725610706,,,Gao_etal_2023_pretrained_on_smaller,Gao_etal_2023,reuseshared,,,,,,,,4096.0,,, -6007,d3f19e2a53c48d0787e7557d9753127b,Cyclobutadiene_1,Cyclobutadiene,,eval,16384.0,-154.65845524133044,,,Gao_etal_2023_pretrained_on_smaller,Gao_etal_2023,reuseshared,,,,,,,,4096.0,,, -6536,d3f19e2a53c48d0787e7557d9753127b,Cyclobutadiene_1,Cyclobutadiene,0.0,eval,64.0,-152.36970000457762,0.0043313002395068,https://wandb.ai/schroedinger_univie/gao_ethene_to_cyclo/runs/9yd470dl,2023-03-08_gao_reuseshared_2xCyclobutadiene_from20xC2H4_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_20geoms_C2H4,64000.0,2.0,38.0,,2048.0,,, -6537,d3f19e2a53c48d0787e7557d9753127b,Cyclobutadiene_1,Cyclobutadiene,0.0,eval,250.0,-154.27531829071046,0.001841867823487,https://wandb.ai/schroedinger_univie/gao_ethene_to_cyclo/runs/9yd470dl,2023-03-08_gao_reuseshared_2xCyclobutadiene_from20xC2H4_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_20geoms_C2H4,64000.0,2.0,132.0,,2048.0,,, -6538,d3f19e2a53c48d0787e7557d9753127b,Cyclobutadiene_1,Cyclobutadiene,0.0,eval,1000.0,-154.55454047393798,0.0009744559177269,https://wandb.ai/schroedinger_univie/gao_ethene_to_cyclo/runs/9yd470dl,2023-03-08_gao_reuseshared_2xCyclobutadiene_from20xC2H4_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_20geoms_C2H4,64000.0,2.0,502.0,,2048.0,,, -6539,d3f19e2a53c48d0787e7557d9753127b,Cyclobutadiene_1,Cyclobutadiene,0.0,eval,4000.0,-154.64088285827637,0.0004730874239457,https://wandb.ai/schroedinger_univie/gao_ethene_to_cyclo/runs/9yd470dl,2023-03-08_gao_reuseshared_2xCyclobutadiene_from20xC2H4_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_20geoms_C2H4,64000.0,2.0,1960.0,,2048.0,,, -6540,d3f19e2a53c48d0787e7557d9753127b,Cyclobutadiene_1,Cyclobutadiene,0.0,eval,8000.0,-154.6512946395874,0.0004514168240076,https://wandb.ai/schroedinger_univie/gao_ethene_to_cyclo/runs/9yd470dl,2023-03-08_gao_reuseshared_2xCyclobutadiene_from20xC2H4_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_20geoms_C2H4,64000.0,2.0,4017.0,,2048.0,,, -6541,d3f19e2a53c48d0787e7557d9753127b,Cyclobutadiene_1,Cyclobutadiene,0.0,eval,16000.0,-154.66117668151855,0.0003350419143283,https://wandb.ai/schroedinger_univie/gao_ethene_to_cyclo/runs/9yd470dl,2023-03-08_gao_reuseshared_2xCyclobutadiene_from20xC2H4_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_20geoms_C2H4,64000.0,2.0,8093.0,,2048.0,,, -6542,d3f19e2a53c48d0787e7557d9753127b,Cyclobutadiene_1,Cyclobutadiene,0.0,eval,32000.0,-154.66554795074464,0.0002959893559551,https://wandb.ai/schroedinger_univie/gao_ethene_to_cyclo/runs/9yd470dl,2023-03-08_gao_reuseshared_2xCyclobutadiene_from20xC2H4_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_20geoms_C2H4,64000.0,2.0,16610.0,,2048.0,,, -6543,510c19f6e48f0c0d80b9824d8182a98e,Cyclobutadiene_0,Cyclobutadiene,0.0,eval,64.0,-152.08852128601075,0.0044877722960714,https://wandb.ai/schroedinger_univie/gao_ethene_to_cyclo/runs/lnjuckok,2023-03-08_gao_reuseshared_2xCyclobutadiene_from20xC2H4_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_20geoms_C2H4,64000.0,2.0,26.0,,2048.0,,, -6544,510c19f6e48f0c0d80b9824d8182a98e,Cyclobutadiene_0,Cyclobutadiene,0.0,eval,250.0,-154.1837422027588,0.001858850848105,https://wandb.ai/schroedinger_univie/gao_ethene_to_cyclo/runs/lnjuckok,2023-03-08_gao_reuseshared_2xCyclobutadiene_from20xC2H4_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_20geoms_C2H4,64000.0,2.0,118.0,,2048.0,,, -6545,510c19f6e48f0c0d80b9824d8182a98e,Cyclobutadiene_0,Cyclobutadiene,0.0,eval,1000.0,-154.4793885650635,0.000947191114747,https://wandb.ai/schroedinger_univie/gao_ethene_to_cyclo/runs/lnjuckok,2023-03-08_gao_reuseshared_2xCyclobutadiene_from20xC2H4_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_20geoms_C2H4,64000.0,2.0,498.0,,2048.0,,, -6546,510c19f6e48f0c0d80b9824d8182a98e,Cyclobutadiene_0,Cyclobutadiene,0.0,eval,4000.0,-154.6269189147949,0.0005080256734999,https://wandb.ai/schroedinger_univie/gao_ethene_to_cyclo/runs/lnjuckok,2023-03-08_gao_reuseshared_2xCyclobutadiene_from20xC2H4_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_20geoms_C2H4,64000.0,2.0,2040.0,,2048.0,,, -6547,510c19f6e48f0c0d80b9824d8182a98e,Cyclobutadiene_0,Cyclobutadiene,0.0,eval,8000.0,-154.63823637390138,0.000432603504495,https://wandb.ai/schroedinger_univie/gao_ethene_to_cyclo/runs/lnjuckok,2023-03-08_gao_reuseshared_2xCyclobutadiene_from20xC2H4_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_20geoms_C2H4,64000.0,2.0,3983.0,,2048.0,,, -6548,510c19f6e48f0c0d80b9824d8182a98e,Cyclobutadiene_0,Cyclobutadiene,0.0,eval,16000.0,-154.6482805480957,0.0003399932910504,https://wandb.ai/schroedinger_univie/gao_ethene_to_cyclo/runs/lnjuckok,2023-03-08_gao_reuseshared_2xCyclobutadiene_from20xC2H4_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_20geoms_C2H4,64000.0,2.0,7907.0,,2048.0,,, -6549,510c19f6e48f0c0d80b9824d8182a98e,Cyclobutadiene_0,Cyclobutadiene,0.0,eval,32000.0,-154.65144257354737,0.0002926604882276,https://wandb.ai/schroedinger_univie/gao_ethene_to_cyclo/runs/lnjuckok,2023-03-08_gao_reuseshared_2xCyclobutadiene_from20xC2H4_64k,dpe,reuseshared,dpe256,gao_4fd,64kshared_20geoms_C2H4,64000.0,2.0,15390.0,,2048.0,,, -6620,bb58b0dc230e552c001d426fa4702fc0,CNH_smiles_C#N_rot_dist_59,CNH,0.0,eval,0.0,-93.40734146118164,0.0007849379913429,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/kk10xjcj,2023-03-06_tinymol_v10_ablation_n_pretrain,dpe,reuseshared,dpe256,gao_4fd,500kshared_tinymol_v10,500000.0,10.0,0.0,,2048.0,,, -6621,bb58b0dc230e552c001d426fa4702fc0,CNH_smiles_C#N_rot_dist_59,CNH,0.0,eval,250.0,-93.40505058288574,0.0008463732508863,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/kk10xjcj,2023-03-06_tinymol_v10_ablation_n_pretrain,dpe,reuseshared,dpe256,gao_4fd,500kshared_tinymol_v10,500000.0,10.0,23.0,,2048.0,,, -6622,bb58b0dc230e552c001d426fa4702fc0,CNH_smiles_C#N_rot_dist_59,CNH,0.0,eval,1000.0,-93.40595161437987,0.0009097244479325,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/kk10xjcj,2023-03-06_tinymol_v10_ablation_n_pretrain,dpe,reuseshared,dpe256,gao_4fd,500kshared_tinymol_v10,500000.0,10.0,75.0,,2048.0,,, -6623,bb58b0dc230e552c001d426fa4702fc0,CNH_smiles_C#N_rot_dist_59,CNH,0.0,eval,4000.0,-93.4081309890747,0.0008012320355233,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/kk10xjcj,2023-03-06_tinymol_v10_ablation_n_pretrain,dpe,reuseshared,dpe256,gao_4fd,500kshared_tinymol_v10,500000.0,10.0,322.0,,2048.0,,, -6624,bb58b0dc230e552c001d426fa4702fc0,CNH_smiles_C#N_rot_dist_59,CNH,0.0,eval,8000.0,-93.40911952972412,0.0007182064566301,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/kk10xjcj,2023-03-06_tinymol_v10_ablation_n_pretrain,dpe,reuseshared,dpe256,gao_4fd,500kshared_tinymol_v10,500000.0,10.0,659.0,,2048.0,,, -6625,bb58b0dc230e552c001d426fa4702fc0,CNH_smiles_C#N_rot_dist_59,CNH,0.0,eval,16000.0,-93.40946197509766,0.000714686321195,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/kk10xjcj,2023-03-06_tinymol_v10_ablation_n_pretrain,dpe,reuseshared,dpe256,gao_4fd,500kshared_tinymol_v10,500000.0,10.0,1324.0,,2048.0,,, -6626,bb58b0dc230e552c001d426fa4702fc0,CNH_smiles_C#N_rot_dist_59,CNH,0.0,eval,32000.0,-93.41015880584716,0.000688911748703,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/kk10xjcj,2023-03-06_tinymol_v10_ablation_n_pretrain,dpe,reuseshared,dpe256,gao_4fd,500kshared_tinymol_v10,500000.0,10.0,2695.0,,2048.0,,, -6627,87e73f202a203354d64a52fa0d45b340,CNH_smiles_C#N_rot_dist_58,CNH,0.0,eval,0.0,-93.40331954956056,0.0010371095013932,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/elw567gf,2023-03-06_tinymol_v10_ablation_n_pretrain,dpe,reuseshared,dpe256,gao_4fd,500kshared_tinymol_v10,500000.0,10.0,0.0,,2048.0,,, -6628,87e73f202a203354d64a52fa0d45b340,CNH_smiles_C#N_rot_dist_58,CNH,0.0,eval,250.0,-93.40684337615969,0.0009313462939392,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/elw567gf,2023-03-06_tinymol_v10_ablation_n_pretrain,dpe,reuseshared,dpe256,gao_4fd,500kshared_tinymol_v10,500000.0,10.0,25.0,,2048.0,,, -6629,87e73f202a203354d64a52fa0d45b340,CNH_smiles_C#N_rot_dist_58,CNH,0.0,eval,1000.0,-93.41044574737548,0.0006362518764695,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/elw567gf,2023-03-06_tinymol_v10_ablation_n_pretrain,dpe,reuseshared,dpe256,gao_4fd,500kshared_tinymol_v10,500000.0,10.0,98.0,,2048.0,,, -6630,87e73f202a203354d64a52fa0d45b340,CNH_smiles_C#N_rot_dist_58,CNH,0.0,eval,4000.0,-93.4126858139038,0.0007495252679039,https://wandb.ai/schroedinger_univie/gao_shared_tinymol/runs/elw567gf,2023-03-06_tinymol_v10_ablation_n_pretrain,dpe,reuseshared,dpe256,gao_4fd,500kshared_tinymol_v10,500000.0,10.0,392.0,,2048.0,,, 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+9be99ddbbfa5b2399af44dc87ba1addf;H2O_twist_238.25;;;eval;4096.0;-76.41094734954834;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;4096.0;;2048.0; +9be99ddbbfa5b2399af44dc87ba1addf;H2O_twist_238.25;;;eval;16384.0;-76.4364740600586;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;16384.0;;2048.0; +87308b7d3076d5784cdecb685fb71d1e;H2O_twist_236.0;;;eval;128.0;-74.79734416198731;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;128.0;;2048.0; +87308b7d3076d5784cdecb685fb71d1e;H2O_twist_236.0;;;eval;512.0;-75.93917868041993;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;512.0;;2048.0; +87308b7d3076d5784cdecb685fb71d1e;H2O_twist_236.0;;;eval;1024.0;-76.33847976684571;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;1024.0;;2048.0; +87308b7d3076d5784cdecb685fb71d1e;H2O_twist_236.0;;;eval;2048.0;-76.39382455444336;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;2048.0;;2048.0; +87308b7d3076d5784cdecb685fb71d1e;H2O_twist_236.0;;;eval;4096.0;-76.41099210357666;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;4096.0;;2048.0; +87308b7d3076d5784cdecb685fb71d1e;H2O_twist_236.0;;;eval;16384.0;-76.43663321685791;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;16384.0;;2048.0; +0a3b42aa8e9e0dcc3e296a13a8e66fc0;H2O_twist_233.75;;;eval;128.0;-74.80081706237793;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;128.0;;2048.0; +0a3b42aa8e9e0dcc3e296a13a8e66fc0;H2O_twist_233.75;;;eval;512.0;-75.94548275756836;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;512.0;;2048.0; +0a3b42aa8e9e0dcc3e296a13a8e66fc0;H2O_twist_233.75;;;eval;1024.0;-76.33760279083252;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;1024.0;;2048.0; +0a3b42aa8e9e0dcc3e296a13a8e66fc0;H2O_twist_233.75;;;eval;2048.0;-76.39440261077881;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;2048.0;;2048.0; +0a3b42aa8e9e0dcc3e296a13a8e66fc0;H2O_twist_233.75;;;eval;4096.0;-76.40934046173096;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;4096.0;;2048.0; +0a3b42aa8e9e0dcc3e296a13a8e66fc0;H2O_twist_233.75;;;eval;16384.0;-76.43668244171143;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;16384.0;;2048.0; +25f2369e330c7531b546b1d232e6f02a;H2O_twist_231.5;;;eval;128.0;-74.81526142120362;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;128.0;;2048.0; +25f2369e330c7531b546b1d232e6f02a;H2O_twist_231.5;;;eval;512.0;-75.94535585021973;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;512.0;;2048.0; +25f2369e330c7531b546b1d232e6f02a;H2O_twist_231.5;;;eval;1024.0;-76.33750856781006;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;1024.0;;2048.0; +25f2369e330c7531b546b1d232e6f02a;H2O_twist_231.5;;;eval;2048.0;-76.39650449371338;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;2048.0;;2048.0; +25f2369e330c7531b546b1d232e6f02a;H2O_twist_231.5;;;eval;4096.0;-76.41359757232667;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;4096.0;;2048.0; +25f2369e330c7531b546b1d232e6f02a;H2O_twist_231.5;;;eval;16384.0;-76.43631042480469;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;16384.0;;2048.0; +be70ce38bb5a5fc86facf69b013fc8b5;H2O_twist_229.25;;;eval;128.0;-74.83080417633056;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;128.0;;2048.0; +be70ce38bb5a5fc86facf69b013fc8b5;H2O_twist_229.25;;;eval;512.0;-75.93998398590088;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;512.0;;2048.0; +be70ce38bb5a5fc86facf69b013fc8b5;H2O_twist_229.25;;;eval;1024.0;-76.33594855499267;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;1024.0;;2048.0; +be70ce38bb5a5fc86facf69b013fc8b5;H2O_twist_229.25;;;eval;2048.0;-76.39409857177735;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;2048.0;;2048.0; +be70ce38bb5a5fc86facf69b013fc8b5;H2O_twist_229.25;;;eval;4096.0;-76.4119726638794;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;4096.0;;2048.0; +be70ce38bb5a5fc86facf69b013fc8b5;H2O_twist_229.25;;;eval;16384.0;-76.43651586151123;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;16384.0;;2048.0; +a871ad41c69d9cb7c23d7bb832f0c95e;H2O_twist_227.0;;;eval;128.0;-74.73976379394531;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;128.0;;2048.0; +a871ad41c69d9cb7c23d7bb832f0c95e;H2O_twist_227.0;;;eval;512.0;-75.83531470489503;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;512.0;;2048.0; +a871ad41c69d9cb7c23d7bb832f0c95e;H2O_twist_227.0;;;eval;1024.0;-76.30802851104737;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;1024.0;;2048.0; +a871ad41c69d9cb7c23d7bb832f0c95e;H2O_twist_227.0;;;eval;2048.0;-76.3922646636963;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;2048.0;;2048.0; +a871ad41c69d9cb7c23d7bb832f0c95e;H2O_twist_227.0;;;eval;4096.0;-76.41114434814453;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;4096.0;;2048.0; +a871ad41c69d9cb7c23d7bb832f0c95e;H2O_twist_227.0;;;eval;16384.0;-76.43635306549072;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;16384.0;;2048.0; +a177f0117c246b65d1545743c33f38dd;H2O_twist_224.75;;;eval;128.0;-74.74725927734374;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;128.0;;2048.0; +a177f0117c246b65d1545743c33f38dd;H2O_twist_224.75;;;eval;512.0;-75.83382723236085;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;512.0;;2048.0; +a177f0117c246b65d1545743c33f38dd;H2O_twist_224.75;;;eval;1024.0;-76.3040811920166;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;1024.0;;2048.0; +a177f0117c246b65d1545743c33f38dd;H2O_twist_224.75;;;eval;2048.0;-76.39121945953369;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;2048.0;;2048.0; +a177f0117c246b65d1545743c33f38dd;H2O_twist_224.75;;;eval;4096.0;-76.40816484832763;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;4096.0;;2048.0; +a177f0117c246b65d1545743c33f38dd;H2O_twist_224.75;;;eval;16384.0;-76.43634373474121;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;16384.0;;2048.0; +ca9b17cb808952dbc80ee15ff0b38bd5;H2O_twist_222.5;;;eval;128.0;-74.77866271972657;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;128.0;;2048.0; +ca9b17cb808952dbc80ee15ff0b38bd5;H2O_twist_222.5;;;eval;512.0;-75.84423327636719;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;512.0;;2048.0; +ca9b17cb808952dbc80ee15ff0b38bd5;H2O_twist_222.5;;;eval;1024.0;-76.30119006347657;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;1024.0;;2048.0; +ca9b17cb808952dbc80ee15ff0b38bd5;H2O_twist_222.5;;;eval;2048.0;-76.39264218902588;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;2048.0;;2048.0; +ca9b17cb808952dbc80ee15ff0b38bd5;H2O_twist_222.5;;;eval;4096.0;-76.40743120574952;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;4096.0;;2048.0; +ca9b17cb808952dbc80ee15ff0b38bd5;H2O_twist_222.5;;;eval;16384.0;-76.43582984924316;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;16384.0;;2048.0; +36549a3cc758e0f810af3c3e895d3adb;H2O_twist_220.25;;;eval;128.0;-74.82860051727295;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;128.0;;2048.0; +36549a3cc758e0f810af3c3e895d3adb;H2O_twist_220.25;;;eval;512.0;-75.94340281677246;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;512.0;;2048.0; +36549a3cc758e0f810af3c3e895d3adb;H2O_twist_220.25;;;eval;1024.0;-76.33453261566162;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;1024.0;;2048.0; +36549a3cc758e0f810af3c3e895d3adb;H2O_twist_220.25;;;eval;2048.0;-76.39748928070068;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;2048.0;;2048.0; +36549a3cc758e0f810af3c3e895d3adb;H2O_twist_220.25;;;eval;4096.0;-76.41219789123535;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;4096.0;;2048.0; +36549a3cc758e0f810af3c3e895d3adb;H2O_twist_220.25;;;eval;16384.0;-76.43673237609863;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;16384.0;;2048.0; +62222c726e08c43d82eaade3d5c54978;H2O_twist_218.0;;;eval;128.0;-74.8388371887207;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;128.0;;2048.0; +62222c726e08c43d82eaade3d5c54978;H2O_twist_218.0;;;eval;512.0;-75.95023263549805;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;512.0;;2048.0; +62222c726e08c43d82eaade3d5c54978;H2O_twist_218.0;;;eval;1024.0;-76.33010648345947;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;1024.0;;2048.0; +62222c726e08c43d82eaade3d5c54978;H2O_twist_218.0;;;eval;2048.0;-76.39747885131835;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;2048.0;;2048.0; +62222c726e08c43d82eaade3d5c54978;H2O_twist_218.0;;;eval;4096.0;-76.40895091247559;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;4096.0;;2048.0; +62222c726e08c43d82eaade3d5c54978;H2O_twist_218.0;;;eval;16384.0;-76.43671217346191;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;16384.0;;2048.0; +2174e144d1f062ec3844f8a1636bf8eb;H2O_twist_215.75;;;eval;128.0;-74.87327418518066;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;128.0;;2048.0; +2174e144d1f062ec3844f8a1636bf8eb;H2O_twist_215.75;;;eval;512.0;-75.93786846923828;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;512.0;;2048.0; +2174e144d1f062ec3844f8a1636bf8eb;H2O_twist_215.75;;;eval;1024.0;-76.33245509338379;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;1024.0;;2048.0; +2174e144d1f062ec3844f8a1636bf8eb;H2O_twist_215.75;;;eval;2048.0;-76.39579722595215;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;2048.0;;2048.0; +2174e144d1f062ec3844f8a1636bf8eb;H2O_twist_215.75;;;eval;4096.0;-76.4126653213501;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;4096.0;;2048.0; +2174e144d1f062ec3844f8a1636bf8eb;H2O_twist_215.75;;;eval;16384.0;-76.43674089813233;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;16384.0;;2048.0; +c04544d3fbbea611d64baef3a978d8e7;H2O_twist_213.5;;;eval;128.0;-74.85267925262451;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;128.0;;2048.0; +c04544d3fbbea611d64baef3a978d8e7;H2O_twist_213.5;;;eval;512.0;-75.9480113067627;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;512.0;;2048.0; +c04544d3fbbea611d64baef3a978d8e7;H2O_twist_213.5;;;eval;1024.0;-76.32985187530518;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;1024.0;;2048.0; +c04544d3fbbea611d64baef3a978d8e7;H2O_twist_213.5;;;eval;2048.0;-76.3967594833374;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;2048.0;;2048.0; +c04544d3fbbea611d64baef3a978d8e7;H2O_twist_213.5;;;eval;4096.0;-76.41077085113525;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;4096.0;;2048.0; +c04544d3fbbea611d64baef3a978d8e7;H2O_twist_213.5;;;eval;16384.0;-76.43613671112061;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;16384.0;;2048.0; +18efa02710bafd18f894beed96ef6b53;H2O_twist_211.25;;;eval;128.0;-74.85052328491211;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;128.0;;2048.0; +18efa02710bafd18f894beed96ef6b53;H2O_twist_211.25;;;eval;512.0;-75.93336042022705;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;512.0;;2048.0; +18efa02710bafd18f894beed96ef6b53;H2O_twist_211.25;;;eval;1024.0;-76.32787699127198;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;1024.0;;2048.0; +18efa02710bafd18f894beed96ef6b53;H2O_twist_211.25;;;eval;2048.0;-76.3969401397705;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;2048.0;;2048.0; +18efa02710bafd18f894beed96ef6b53;H2O_twist_211.25;;;eval;4096.0;-76.41114820861816;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;4096.0;;2048.0; +18efa02710bafd18f894beed96ef6b53;H2O_twist_211.25;;;eval;16384.0;-76.43671322631836;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;16384.0;;2048.0; +2e83d1c2fbf752dc4f68e9cd911a8456;H2O_twist_209.0;;;eval;128.0;-74.83642136383057;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;128.0;;2048.0; +2e83d1c2fbf752dc4f68e9cd911a8456;H2O_twist_209.0;;;eval;512.0;-75.92074991607666;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;512.0;;2048.0; +2e83d1c2fbf752dc4f68e9cd911a8456;H2O_twist_209.0;;;eval;1024.0;-76.32550537872315;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;1024.0;;2048.0; +2e83d1c2fbf752dc4f68e9cd911a8456;H2O_twist_209.0;;;eval;2048.0;-76.39809140777588;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;2048.0;;2048.0; +2e83d1c2fbf752dc4f68e9cd911a8456;H2O_twist_209.0;;;eval;4096.0;-76.41121947479247;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;4096.0;;2048.0; +2e83d1c2fbf752dc4f68e9cd911a8456;H2O_twist_209.0;;;eval;16384.0;-76.43622158813477;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;16384.0;;2048.0; +10592515db4115815516a90d71c0f791;H2O_twist_206.75;;;eval;128.0;-74.84900439453125;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;128.0;;2048.0; +10592515db4115815516a90d71c0f791;H2O_twist_206.75;;;eval;512.0;-75.92659060668946;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;512.0;;2048.0; +10592515db4115815516a90d71c0f791;H2O_twist_206.75;;;eval;1024.0;-76.31956999969482;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;1024.0;;2048.0; +10592515db4115815516a90d71c0f791;H2O_twist_206.75;;;eval;2048.0;-76.3958330001831;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;2048.0;;2048.0; +10592515db4115815516a90d71c0f791;H2O_twist_206.75;;;eval;4096.0;-76.40976655578613;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;4096.0;;2048.0; +10592515db4115815516a90d71c0f791;H2O_twist_206.75;;;eval;16384.0;-76.43643942260742;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;16384.0;;2048.0; +c7222e38c2f99348460dcbfe4bd1d4bb;H2O_twist_204.5;;;eval;128.0;-74.83342366027831;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;128.0;;2048.0; +c7222e38c2f99348460dcbfe4bd1d4bb;H2O_twist_204.5;;;eval;512.0;-75.90294976043701;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;512.0;;2048.0; +c7222e38c2f99348460dcbfe4bd1d4bb;H2O_twist_204.5;;;eval;1024.0;-76.31709960174561;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;1024.0;;2048.0; +c7222e38c2f99348460dcbfe4bd1d4bb;H2O_twist_204.5;;;eval;2048.0;-76.39553820037841;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;2048.0;;2048.0; +c7222e38c2f99348460dcbfe4bd1d4bb;H2O_twist_204.5;;;eval;4096.0;-76.41017596435547;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;4096.0;;2048.0; +c7222e38c2f99348460dcbfe4bd1d4bb;H2O_twist_204.5;;;eval;16384.0;-76.43645944213867;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;16384.0;;2048.0; +08f230bafa078f9c0d3e77f12434c95b;H2O_twist_202.25;;;eval;128.0;-74.85336735534668;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;128.0;;2048.0; +08f230bafa078f9c0d3e77f12434c95b;H2O_twist_202.25;;;eval;512.0;-75.89703372955323;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;512.0;;2048.0; +08f230bafa078f9c0d3e77f12434c95b;H2O_twist_202.25;;;eval;1024.0;-76.31523564910889;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;1024.0;;2048.0; +08f230bafa078f9c0d3e77f12434c95b;H2O_twist_202.25;;;eval;2048.0;-76.39551347351075;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;2048.0;;2048.0; +08f230bafa078f9c0d3e77f12434c95b;H2O_twist_202.25;;;eval;4096.0;-76.40739267730713;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;4096.0;;2048.0; +08f230bafa078f9c0d3e77f12434c95b;H2O_twist_202.25;;;eval;16384.0;-76.43656272888184;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;16384.0;;2048.0; +b9fdee581dfe3d4d137c08b2e467b368;H2O_twist_200.0;;;eval;128.0;-74.85887233734131;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;128.0;;2048.0; +b9fdee581dfe3d4d137c08b2e467b368;H2O_twist_200.0;;;eval;512.0;-75.90241714477538;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;512.0;;2048.0; +b9fdee581dfe3d4d137c08b2e467b368;H2O_twist_200.0;;;eval;1024.0;-76.30971794128418;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;1024.0;;2048.0; +b9fdee581dfe3d4d137c08b2e467b368;H2O_twist_200.0;;;eval;2048.0;-76.39436525726319;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;2048.0;;2048.0; +b9fdee581dfe3d4d137c08b2e467b368;H2O_twist_200.0;;;eval;4096.0;-76.40579640197754;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;4096.0;;2048.0; +b9fdee581dfe3d4d137c08b2e467b368;H2O_twist_200.0;;;eval;16384.0;-76.43567294311524;;;h2o_phaseflip_tao;dpe;shared;dpe;;;;20.0;16384.0;;2048.0; +713596a86c00350f9228337bf6fdf1d1;H2O_twist_242.75;;;eval;128.0;-71.41321154785156;;;h2o_phaseflip_truncation;dpe;shared;dpe;;;;20.0;128.0;;2048.0; +713596a86c00350f9228337bf6fdf1d1;H2O_twist_242.75;;;eval;512.0;-75.30122608947754;;;h2o_phaseflip_truncation;dpe;shared;dpe;;;;20.0;512.0;;2048.0; +713596a86c00350f9228337bf6fdf1d1;H2O_twist_242.75;;;eval;1024.0;-76.2357642211914;;;h2o_phaseflip_truncation;dpe;shared;dpe;;;;20.0;1024.0;;2048.0; +713596a86c00350f9228337bf6fdf1d1;H2O_twist_242.75;;;eval;2048.0;-76.37768086242676;;;h2o_phaseflip_truncation;dpe;shared;dpe;;;;20.0;2048.0;;2048.0; +713596a86c00350f9228337bf6fdf1d1;H2O_twist_242.75;;;eval;4096.0;-76.39858740234375;;;h2o_phaseflip_truncation;dpe;shared;dpe;;;;20.0;4096.0;;2048.0; +713596a86c00350f9228337bf6fdf1d1;H2O_twist_242.75;;;eval;16384.0;-76.43632503509521;;;h2o_phaseflip_truncation;dpe;shared;dpe;;;;20.0;16384.0;;2048.0; +8cb6d01f2c0751587312a3249eb42c50;H2O_twist_240.5;;;eval;128.0;-71.28800154113769;;;h2o_phaseflip_truncation;dpe;shared;dpe;;;;20.0;128.0;;2048.0; +8cb6d01f2c0751587312a3249eb42c50;H2O_twist_240.5;;;eval;512.0;-75.31294715881347;;;h2o_phaseflip_truncation;dpe;shared;dpe;;;;20.0;512.0;;2048.0; +8cb6d01f2c0751587312a3249eb42c50;H2O_twist_240.5;;;eval;1024.0;-76.25400531005859;;;h2o_phaseflip_truncation;dpe;shared;dpe;;;;20.0;1024.0;;2048.0; +8cb6d01f2c0751587312a3249eb42c50;H2O_twist_240.5;;;eval;2048.0;-76.38168623352051;;;h2o_phaseflip_truncation;dpe;shared;dpe;;;;20.0;2048.0;;2048.0; +8cb6d01f2c0751587312a3249eb42c50;H2O_twist_240.5;;;eval;4096.0;-76.39693965148926;;;h2o_phaseflip_truncation;dpe;shared;dpe;;;;20.0;4096.0;;2048.0; +8cb6d01f2c0751587312a3249eb42c50;H2O_twist_240.5;;;eval;16384.0;-76.43695781326294;;;h2o_phaseflip_truncation;dpe;shared;dpe;;;;20.0;16384.0;;2048.0; +9be99ddbbfa5b2399af44dc87ba1addf;H2O_twist_238.25;;;eval;128.0;-71.26115289306641;;;h2o_phaseflip_truncation;dpe;shared;dpe;;;;20.0;128.0;;2048.0; +9be99ddbbfa5b2399af44dc87ba1addf;H2O_twist_238.25;;;eval;512.0;-75.27911917114258;;;h2o_phaseflip_truncation;dpe;shared;dpe;;;;20.0;512.0;;2048.0; +9be99ddbbfa5b2399af44dc87ba1addf;H2O_twist_238.25;;;eval;1024.0;-76.25424473571778;;;h2o_phaseflip_truncation;dpe;shared;dpe;;;;20.0;1024.0;;2048.0; +9be99ddbbfa5b2399af44dc87ba1addf;H2O_twist_238.25;;;eval;2048.0;-76.38505406188965;;;h2o_phaseflip_truncation;dpe;shared;dpe;;;;20.0;2048.0;;2048.0; +9be99ddbbfa5b2399af44dc87ba1addf;H2O_twist_238.25;;;eval;4096.0;-76.3982400970459;;;h2o_phaseflip_truncation;dpe;shared;dpe;;;;20.0;4096.0;;2048.0; +9be99ddbbfa5b2399af44dc87ba1addf;H2O_twist_238.25;;;eval;16384.0;-76.43668600082397;;;h2o_phaseflip_truncation;dpe;shared;dpe;;;;20.0;16384.0;;2048.0; +87308b7d3076d5784cdecb685fb71d1e;H2O_twist_236.0;;;eval;128.0;-71.1517371673584;;;h2o_phaseflip_truncation;dpe;shared;dpe;;;;20.0;128.0;;2048.0; +87308b7d3076d5784cdecb685fb71d1e;H2O_twist_236.0;;;eval;512.0;-75.30087939453125;;;h2o_phaseflip_truncation;dpe;shared;dpe;;;;20.0;512.0;;2048.0; +87308b7d3076d5784cdecb685fb71d1e;H2O_twist_236.0;;;eval;1024.0;-76.26955909729004;;;h2o_phaseflip_truncation;dpe;shared;dpe;;;;20.0;1024.0;;2048.0; +87308b7d3076d5784cdecb685fb71d1e;H2O_twist_236.0;;;eval;2048.0;-76.38987225341796;;;h2o_phaseflip_truncation;dpe;shared;dpe;;;;20.0;2048.0;;2048.0; +87308b7d3076d5784cdecb685fb71d1e;H2O_twist_236.0;;;eval;4096.0;-76.3990428314209;;;h2o_phaseflip_truncation;dpe;shared;dpe;;;;20.0;4096.0;;2048.0; +87308b7d3076d5784cdecb685fb71d1e;H2O_twist_236.0;;;eval;16384.0;-76.43661657333374;;;h2o_phaseflip_truncation;dpe;shared;dpe;;;;20.0;16384.0;;2048.0; +0a3b42aa8e9e0dcc3e296a13a8e66fc0;H2O_twist_233.75;;;eval;128.0;-71.09820600891113;;;h2o_phaseflip_truncation;dpe;shared;dpe;;;;20.0;128.0;;2048.0; +0a3b42aa8e9e0dcc3e296a13a8e66fc0;H2O_twist_233.75;;;eval;512.0;-75.27185719299317;;;h2o_phaseflip_truncation;dpe;shared;dpe;;;;20.0;512.0;;2048.0; +0a3b42aa8e9e0dcc3e296a13a8e66fc0;H2O_twist_233.75;;;eval;1024.0;-76.29107382202149;;;h2o_phaseflip_truncation;dpe;shared;dpe;;;;20.0;1024.0;;2048.0; +0a3b42aa8e9e0dcc3e296a13a8e66fc0;H2O_twist_233.75;;;eval;2048.0;-76.38937683105469;;;h2o_phaseflip_truncation;dpe;shared;dpe;;;;20.0;2048.0;;2048.0; +0a3b42aa8e9e0dcc3e296a13a8e66fc0;H2O_twist_233.75;;;eval;4096.0;-76.40134194946289;;;h2o_phaseflip_truncation;dpe;shared;dpe;;;;20.0;4096.0;;2048.0; +0a3b42aa8e9e0dcc3e296a13a8e66fc0;H2O_twist_233.75;;;eval;16384.0;-76.43677609634399;;;h2o_phaseflip_truncation;dpe;shared;dpe;;;;20.0;16384.0;;2048.0; +25f2369e330c7531b546b1d232e6f02a;H2O_twist_231.5;;;eval;128.0;-71.11019108581543;;;h2o_phaseflip_truncation;dpe;shared;dpe;;;;20.0;128.0;;2048.0; +25f2369e330c7531b546b1d232e6f02a;H2O_twist_231.5;;;eval;512.0;-75.29830039978027;;;h2o_phaseflip_truncation;dpe;shared;dpe;;;;20.0;512.0;;2048.0; +25f2369e330c7531b546b1d232e6f02a;H2O_twist_231.5;;;eval;1024.0;-76.29672058105469;;;h2o_phaseflip_truncation;dpe;shared;dpe;;;;20.0;1024.0;;2048.0; +25f2369e330c7531b546b1d232e6f02a;H2O_twist_231.5;;;eval;2048.0;-76.38668519592285;;;h2o_phaseflip_truncation;dpe;shared;dpe;;;;20.0;2048.0;;2048.0; +25f2369e330c7531b546b1d232e6f02a;H2O_twist_231.5;;;eval;4096.0;-76.39949519348144;;;h2o_phaseflip_truncation;dpe;shared;dpe;;;;20.0;4096.0;;2048.0; +25f2369e330c7531b546b1d232e6f02a;H2O_twist_231.5;;;eval;16384.0;-76.43663302612305;;;h2o_phaseflip_truncation;dpe;shared;dpe;;;;20.0;16384.0;;2048.0; +be70ce38bb5a5fc86facf69b013fc8b5;H2O_twist_229.25;;;eval;128.0;-70.9427565612793;;;h2o_phaseflip_truncation;dpe;shared;dpe;;;;20.0;128.0;;2048.0; +be70ce38bb5a5fc86facf69b013fc8b5;H2O_twist_229.25;;;eval;512.0;-75.31905355834961;;;h2o_phaseflip_truncation;dpe;shared;dpe;;;;20.0;512.0;;2048.0; +be70ce38bb5a5fc86facf69b013fc8b5;H2O_twist_229.25;;;eval;1024.0;-76.2869433746338;;;h2o_phaseflip_truncation;dpe;shared;dpe;;;;20.0;1024.0;;2048.0; +be70ce38bb5a5fc86facf69b013fc8b5;H2O_twist_229.25;;;eval;2048.0;-76.38835188293457;;;h2o_phaseflip_truncation;dpe;shared;dpe;;;;20.0;2048.0;;2048.0; +be70ce38bb5a5fc86facf69b013fc8b5;H2O_twist_229.25;;;eval;4096.0;-76.40040299987793;;;h2o_phaseflip_truncation;dpe;shared;dpe;;;;20.0;4096.0;;2048.0; +be70ce38bb5a5fc86facf69b013fc8b5;H2O_twist_229.25;;;eval;16384.0;-76.4372515411377;;;h2o_phaseflip_truncation;dpe;shared;dpe;;;;20.0;16384.0;;2048.0; +a871ad41c69d9cb7c23d7bb832f0c95e;H2O_twist_227.0;;;eval;128.0;-70.8615026397705;;;h2o_phaseflip_truncation;dpe;shared;dpe;;;;20.0;128.0;;2048.0; +a871ad41c69d9cb7c23d7bb832f0c95e;H2O_twist_227.0;;;eval;512.0;-75.3504903564453;;;h2o_phaseflip_truncation;dpe;shared;dpe;;;;20.0;512.0;;2048.0; +a871ad41c69d9cb7c23d7bb832f0c95e;H2O_twist_227.0;;;eval;1024.0;-76.3148469543457;;;h2o_phaseflip_truncation;dpe;shared;dpe;;;;20.0;1024.0;;2048.0; +a871ad41c69d9cb7c23d7bb832f0c95e;H2O_twist_227.0;;;eval;2048.0;-76.38844215393067;;;h2o_phaseflip_truncation;dpe;shared;dpe;;;;20.0;2048.0;;2048.0; +a871ad41c69d9cb7c23d7bb832f0c95e;H2O_twist_227.0;;;eval;4096.0;-76.39905572509765;;;h2o_phaseflip_truncation;dpe;shared;dpe;;;;20.0;4096.0;;2048.0; +a871ad41c69d9cb7c23d7bb832f0c95e;H2O_twist_227.0;;;eval;16384.0;-76.4368703956604;;;h2o_phaseflip_truncation;dpe;shared;dpe;;;;20.0;16384.0;;2048.0; +a177f0117c246b65d1545743c33f38dd;H2O_twist_224.75;;;eval;128.0;-70.61311363220214;;;h2o_phaseflip_truncation;dpe;shared;dpe;;;;20.0;128.0;;2048.0; 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