diff --git a/.DS_Store b/.DS_Store
new file mode 100644
index 00000000..2e407931
Binary files /dev/null and b/.DS_Store differ
diff --git a/dpdata/openmx/__init__.py b/dpdata/openmx/__init__.py
new file mode 100644
index 00000000..e69de29b
diff --git a/dpdata/openmx/omx.py b/dpdata/openmx/omx.py
new file mode 100644
index 00000000..5724430a
--- /dev/null
+++ b/dpdata/openmx/omx.py
@@ -0,0 +1,197 @@
+#!/usr/bin/python3
+import numpy as np
+
+from ..unit import (
+    EnergyConversion,
+    ForceConversion,
+    LengthConversion,
+    PressureConversion,
+)
+
+ry2ev = EnergyConversion("rydberg", "eV").value()
+kbar2evperang3 = PressureConversion("kbar", "eV/angstrom^3").value()
+
+length_convert = LengthConversion("bohr", "angstrom").value()
+energy_convert = EnergyConversion("hartree", "eV").value()
+force_convert = ForceConversion("hartree/bohr", "eV/angstrom").value()
+
+from collections import OrderedDict
+
+### iterout.c from OpenMX soure code: column numbers and physical quantities ###
+# /* 1: */
+# /* 2,3,4: */
+# /* 5,6,7: force *
+# /* 8: x-component of velocity */
+# /* 9: y-component of velocity */
+# /* 10: z-component of velocity */
+# /* 11: Net charge, electron charge is defined to be negative. */
+# /* 12: magnetic moment (muB) */
+# /* 13,14: angles of spin */
+
+
+def load_atom(lines):
+    atom_names = []
+    atom_names_mode = False
+    for line in lines:
+        if "<Atoms.SpeciesAndCoordinates" in line:
+            atom_names_mode = True
+        elif "Atoms.SpeciesAndCoordinates>" in line:
+            atom_names_mode = False
+        elif atom_names_mode:
+            parts = line.split()
+            atom_names.append(parts[1])
+    natoms = len(atom_names)
+    atom_names_original = atom_names
+    atom_names = list(OrderedDict.fromkeys(set(atom_names)))  # Python>=3.7
+    atom_names = sorted(
+        atom_names, key=atom_names_original.index
+    )  # Unique ordering of atomic species
+    ntypes = len(atom_names)
+    atom_numbs = [0] * ntypes
+    atom_types = []
+    atom_types_mode = False
+    for line in lines:
+        if "<Atoms.SpeciesAndCoordinates" in line:
+            atom_types_mode = True
+        elif "Atoms.SpeciesAndCoordinates>" in line:
+            atom_types_mode = False
+        elif atom_types_mode:
+            parts = line.split()
+            for i, atom_name in enumerate(atom_names):
+                if parts[1] == atom_name:
+                    atom_numbs[i] += 1
+                    atom_types.append(i)
+    atom_types = np.array(atom_types)
+    return atom_names, atom_types, atom_numbs
+
+
+def load_cells(lines):
+    cell, cells = [], []
+    for index, line in enumerate(lines):
+        if "Cell_Vectors=" in line:
+            parts = line.split()
+            cell.append([float(parts[12]), float(parts[13]), float(parts[14])])
+            cell.append([float(parts[15]), float(parts[16]), float(parts[17])])
+            cell.append([float(parts[18]), float(parts[19]), float(parts[20])])
+            cells.append(cell)
+            cell = []
+    cells = np.array(cells)
+    return cells
+
+
+# load atom_names, atom_numbs, atom_types, cells
+def load_param_file(fname, mdname):
+    with open(fname) as dat_file:
+        lines = dat_file.readlines()
+    atom_names, atom_types, atom_numbs = load_atom(lines)
+
+    with open(mdname) as md_file:
+        lines = md_file.readlines()
+    cells = load_cells(lines)
+    return atom_names, atom_numbs, atom_types, cells
+
+
+def load_coords(lines, atom_names, natoms):
+    cnt = 0
+    coord, coords = [], []
+    for index, line in enumerate(lines):
+        if "time=" in line:
+            continue
+        for atom_name in atom_names:
+            atom_name += " "
+            if atom_name in line:
+                cnt += 1
+                parts = line.split()
+                for_line = [float(parts[1]), float(parts[2]), float(parts[3])]
+                coord.append(for_line)
+        if cnt == natoms:
+            coords.append(coord)
+            cnt = 0
+            coord = []
+    coords = np.array(coords)
+    return coords
+
+
+def load_data(mdname, atom_names, natoms):
+    with open(mdname) as md_file:
+        lines = md_file.readlines()
+    coords = load_coords(lines, atom_names, natoms)
+    steps = [str(i) for i in range(1, coords.shape[0] + 1)]
+    return coords, steps
+
+
+def to_system_data(fname, mdname):
+    data = {}
+    (
+        data["atom_names"],
+        data["atom_numbs"],
+        data["atom_types"],
+        data["cells"],
+    ) = load_param_file(fname, mdname)
+    data["coords"], steps = load_data(
+        mdname,
+        data["atom_names"],
+        np.sum(data["atom_numbs"]),
+    )
+    data["orig"] = np.zeros(3)
+    return data, steps
+
+
+def load_energy(lines):
+    energy = []
+    for line in lines:
+        if "time=" in line:
+            parts = line.split()
+            ene_line = float(parts[4])  # Hartree
+            energy.append(ene_line)
+            continue
+    energy = energy_convert * np.array(energy)  # Hartree -> eV
+    return energy
+
+
+def load_force(lines, atom_names, atom_numbs):
+    cnt = 0
+    field, fields = [], []
+    for index, line in enumerate(lines):
+        if "time=" in line:
+            continue
+        for atom_name in atom_names:
+            atom_name += " "
+            if atom_name in line:
+                cnt += 1
+                parts = line.split()
+                for_line = [float(parts[4]), float(parts[5]), float(parts[6])]
+                field.append(for_line)
+        if cnt == np.sum(atom_numbs):
+            fields.append(field)
+            cnt = 0
+            field = []
+    force = force_convert * np.array(fields)
+    return force
+
+
+# load energy, force
+def to_system_label(fname, mdname):
+    atom_names, atom_numbs, atom_types, cells = load_param_file(fname, mdname)
+    with open(mdname) as md_file:
+        lines = md_file.readlines()
+    energy = load_energy(lines)
+    force = load_force(lines, atom_names, atom_numbs)
+    return energy, force
+
+
+if __name__ == "__main__":
+    file_name = "Cdia"
+    fname = f"{file_name}.dat"
+    mdname = f"{file_name}.md"
+    atom_names, atom_numbs, atom_types, cells = load_param_file(fname, mdname)
+    coords, steps = load_data(mdname, atom_names, np.sum(atom_numbs))
+    data, steps = to_system_data(fname, mdname)
+    energy, force = to_system_label(fname, mdname)
+    print(atom_names)
+    print(atom_numbs)
+    print(atom_types)
+    # print(cells.shape)
+    # print(coords.shape)
+    # print(len(energy))
+    # print(force.shape)
diff --git a/dpdata/plugins/openmx.py b/dpdata/plugins/openmx.py
new file mode 100644
index 00000000..121828c2
--- /dev/null
+++ b/dpdata/plugins/openmx.py
@@ -0,0 +1,70 @@
+import dpdata.md.pbc
+import dpdata.openmx.omx
+from dpdata.format import Format
+
+
+@Format.register("openmx/out")
+class OPENMXFormat(Format):
+    """Format for the `OpenMX <https://www.openmx-square.org/>`.
+
+    OpenMX (Open source package for Material eXplorer) is a nano-scale material simulation package based on DFT, norm-conserving pseudopotentials, and pseudo-atomic localized basis functions.
+
+    Note that two output files, System.Name.dat and System.Name.md, are required.
+
+    Use the `openmx/out` keyword argument to supply this format.
+    """
+
+    @Format.post("rot_lower_triangular")
+    def from_system(self, file_name: str, **kwargs) -> dict:
+        """Read from OpenMX output.
+
+        Parameters
+        ----------
+        file_name : str
+            file name, which is specified by a input file, i.e. System.Name.dat
+        **kwargs : dict
+            other parameters
+
+        Returns
+        -------
+        dict
+            data dict
+        """
+        fname = f"{file_name}.dat"
+        mdname = f"{file_name}.md"
+
+        data, _ = dpdata.openmx.omx.to_system_data(fname, mdname)
+        data["coords"] = dpdata.md.pbc.apply_pbc(
+            data["coords"],
+            data["cells"],
+        )
+        return data
+
+    @Format.post("rot_lower_triangular")
+    def from_labeled_system(self, file_name: str, **kwargs) -> dict:
+        """Read from OpenMX output.
+
+        Parameters
+        ----------
+        file_name : str
+            file name, which is specified by a input file, i.e. System.Name.dat
+        **kwargs : dict
+            other parameters
+
+        Returns
+        -------
+        dict
+            data dict
+        """
+        fname = f"{file_name}.dat"
+        mdname = f"{file_name}.md"
+
+        data, cs = dpdata.openmx.omx.to_system_data(fname, mdname)
+        data["coords"] = dpdata.md.pbc.apply_pbc(
+            data["coords"],
+            data["cells"],
+        )
+        data["energies"], data["forces"] = dpdata.openmx.omx.to_system_label(
+            fname, mdname
+        )
+        return data
diff --git a/tests/openmx/Methane.dat b/tests/openmx/Methane.dat
new file mode 100644
index 00000000..c3192074
--- /dev/null
+++ b/tests/openmx/Methane.dat
@@ -0,0 +1,73 @@
+#
+# File Name      
+#
+
+System.CurrrentDirectory         ./    # default=./
+System.Name                      Methane
+level.of.stdout                   1    # default=1 (1-3)
+level.of.fileout                  1    # default=1 (0-2)
+
+#
+# Definition of Atomic Species
+#
+
+Species.Number       2
+<Definition.of.Atomic.Species
+ H   H6.0-s2p1          H_PBE19
+ C   C6.0-s2p2d1        C_PBE19
+Definition.of.Atomic.Species>
+
+#
+# Atoms
+#
+
+Atoms.Number         5
+Atoms.SpeciesAndCoordinates.Unit   Ang # Ang|AU
+<Atoms.SpeciesAndCoordinates  
+ 1  C      0.000000    0.000000    0.000000     2.0  2.0 
+ 2  H     -0.889981   -0.629312    0.000000     0.5  0.5
+ 3  H      0.000000    0.629312   -0.889981     0.5  0.5
+ 4  H      0.000000    0.629312    0.889981     0.5  0.5
+ 5  H      0.889981   -0.629312    0.000000     0.5  0.5
+Atoms.SpeciesAndCoordinates>
+Atoms.UnitVectors.Unit             Ang # Ang|AU
+<Atoms.UnitVectors                     
+  10.0   0.0   0.0  
+   0.0  10.0   0.0  
+   0.0   0.0  10.0  
+Atoms.UnitVectors>
+
+#
+# SCF or Electronic System
+#
+
+scf.XcType                 GGA-PBE     # LDA|LSDA-CA|LSDA-PW|GGA-PBE
+scf.SpinPolarization        off        # On|Off|NC
+scf.ElectronicTemperature  300.0       # default=300 (K)
+scf.energycutoff           120.0       # default=150 (Ry)
+scf.maxIter                 100        # default=40
+scf.EigenvalueSolver        cluster    # DC|GDC|Cluster|Band
+scf.Kgrid                  1 1 1       # means n1 x n2 x n3
+scf.Mixing.Type           rmm-diis     # Simple|Rmm-Diis|Gr-Pulay|Kerker|Rmm-Diisk
+scf.Init.Mixing.Weight     0.200       # default=0.30 
+scf.Min.Mixing.Weight      0.001       # default=0.001 
+scf.Max.Mixing.Weight      0.200       # default=0.40 
+scf.Mixing.History          7          # default=5
+scf.Mixing.StartPulay       4          # default=6
+scf.criterion             1.0e-10      # default=1.0e-6 (Hartree) 
+scf.lapack.dste            dstevx      # dstevx|dstedc|dstegr,default=dstevx
+
+#
+# MD or Geometry Optimization
+#
+
+MD.Type                  NVT_NH        # Nomd|Opt|NVE|NVT_VS|NVT_NH
+MD.maxIter                  200        # default=1
+MD.TimeStep                 1.0        # default=0.5 (fs)
+NH.Mass.HeatBath           30.0        # default = 20.0
+
+<MD.TempControl
+  2
+  1    300.0
+  100  300.0
+MD.TempControl>
\ No newline at end of file
diff --git a/tests/openmx/Methane.md b/tests/openmx/Methane.md
new file mode 100644
index 00000000..45546eec
--- /dev/null
+++ b/tests/openmx/Methane.md
@@ -0,0 +1,1400 @@
+5 
+time=    0.000 (fs) Energy= -8.21545 (Hartree) Temperature=  300.000 (Given Temp.=  300.000) Cell_Vectors= 10.00000  0.00000  0.00000  0.00000 10.00000  0.00000  0.00000  0.00000 10.00000 
+   C    0.00000  0.00000  0.00000   0.00000 -0.00000 -0.00000 427.58932 -188.11655 328.97915   0.13265  0.00000  0.00000  0.00000
+   H   -0.88998 -0.62931  0.00000  -0.00264 -0.00187 -0.00000 -115.09909 1514.89279 -2751.08828  -0.03316  0.00000  0.00000  0.00000
+   H    0.00000  0.62931 -0.88998  -0.00000  0.00187 -0.00264 -2453.26633 1515.59391 -2915.32873  -0.03316  0.00000  0.00000  0.00000
+   H    0.00000  0.62931  0.88998   0.00000  0.00187  0.00264 -423.98365 -631.21309 815.50406  -0.03316  0.00000  0.00000  0.00000
+   H    0.88998 -0.62931  0.00000   0.00264 -0.00187  0.00000 -2098.88373 -159.40205 933.81462  -0.03316  0.00000  0.00000  0.00000
+5 
+time=    1.000 (fs) Energy= -8.21426 (Hartree) Temperature=  301.687 (Given Temp.=  300.000) Cell_Vectors= 10.00000  0.00000  0.00000  0.00000 10.00000  0.00000  0.00000  0.00000 10.00000 
+   C    0.00428 -0.00188  0.00329  -0.01298  0.02069 -0.01706 427.58932 -188.11655 328.97915   0.13478  0.00000  0.00000  0.00000
+   H   -0.89178 -0.61462 -0.02751  -0.00489 -0.00458  0.00269 -180.03076 1468.79536 -2751.08829  -0.02716  0.00000  0.00000  0.00000
+   H   -0.02453  0.64493 -0.91978   0.00460 -0.00915  0.01564 -2453.26633 1561.69134 -2980.26039  -0.05547  0.00000  0.00000  0.00000
+   H   -0.00424  0.62346  0.89879  -0.00053  0.00161  0.00058 -423.98365 -585.11564 880.43573  -0.03430  0.00000  0.00000  0.00000
+   H    0.86964 -0.63137  0.00934   0.01379 -0.00853 -0.00187 -2033.95206 -205.49948 933.81462  -0.01785  0.00000  0.00000  0.00000
+5 
+time=    2.000 (fs) Energy= -8.21187 (Hartree) Temperature=  377.783 (Given Temp.=  300.000) Cell_Vectors= 10.00000  0.00000  0.00000  0.00000 10.00000  0.00000  0.00000  0.00000 10.00000 
+   C    0.01676 -0.00608  0.01228  -0.02376  0.03265 -0.02692 1248.13851 -419.71438 899.18602   0.13642  0.00000  0.00000  0.00000
+   H   -0.88724 -0.60537 -0.04729  -0.00491 -0.00573  0.00519 453.74671 925.82447 -1977.77824  -0.02441  0.00000  0.00000  0.00000
+   H   -0.03806  0.65287 -0.93548   0.00919 -0.01541  0.02691 -1352.43387 793.92349 -1569.46983  -0.06773  0.00000  0.00000  0.00000
+   H   -0.00000  0.61523  0.91428  -0.00092  0.00090 -0.00177 423.96132 -823.31562 1549.89347  -0.03585  0.00000  0.00000  0.00000
+   H    0.86483 -0.64080  0.02417   0.02038 -0.01237 -0.00337 -480.68621 -943.02542 1482.77943  -0.00843  0.00000  0.00000  0.00000
+5 
+time=    3.000 (fs) Energy= -8.21043 (Hartree) Temperature=  214.995 (Given Temp.=  300.000) Cell_Vectors= 10.00000  0.00000  0.00000  0.00000 10.00000  0.00000  0.00000  0.00000 10.00000 
+   C    0.02660 -0.00652  0.01818  -0.02810  0.03292 -0.03038 984.16503 -44.26233 589.46443   0.14150  0.00000  0.00000  0.00000
+   H   -0.88678 -0.59653 -0.06650  -0.00274 -0.00549  0.00757 46.36857 883.88885 -1920.72981  -0.02457  0.00000  0.00000  0.00000
+   H   -0.04871  0.65562 -0.93991   0.01303 -0.01692  0.03099 -1065.36389 275.11559 -443.44391  -0.07025  0.00000  0.00000  0.00000
+   H    0.00213  0.60984  0.92692  -0.00108  0.00009 -0.00377 213.15767 -538.86065 1263.81086  -0.03683  0.00000  0.00000  0.00000
+   H    0.86841 -0.65392  0.03535   0.01882 -0.01053 -0.00445 357.32719 -1311.93697 1118.02123  -0.00984  0.00000  0.00000  0.00000
+5 
+time=    4.000 (fs) Energy= -8.21055 (Hartree) Temperature=  137.874 (Given Temp.=  300.000) Cell_Vectors= 10.00000  0.00000  0.00000  0.00000 10.00000  0.00000  0.00000  0.00000 10.00000 
+   C    0.03294 -0.00265  0.02023  -0.02553  0.02262 -0.02812 634.34089 387.39901 205.52572   0.14912  0.00000  0.00000  0.00000
+   H   -0.89000 -0.58744 -0.08456   0.00066 -0.00452  0.00974 -321.74280 908.69533 -1806.22551  -0.02653  0.00000  0.00000  0.00000
+   H   -0.05528  0.65299 -0.93167   0.01567 -0.01405  0.02836 -657.19847 -262.75769 824.22767  -0.06448  0.00000  0.00000  0.00000
+   H    0.00140  0.60744  0.93512  -0.00100 -0.00055 -0.00494 -73.03012 -239.68890 820.10602  -0.03697  0.00000  0.00000  0.00000
+   H    0.87892 -0.66927  0.04176   0.01017 -0.00345 -0.00512 1050.76479 -1535.57933 641.15037  -0.02115  0.00000  0.00000  0.00000
+5 
+time=    5.000 (fs) Energy= -8.21131 (Hartree) Temperature=  160.242 (Given Temp.=  300.000) Cell_Vectors= 10.00000  0.00000  0.00000  0.00000 10.00000  0.00000  0.00000  0.00000 10.00000 
+   C    0.03581  0.00467  0.01849  -0.01929  0.00549 -0.01994 287.19770 731.39894 -174.40851   0.15403  0.00000  0.00000  0.00000
+   H   -0.89530 -0.57808 -0.10046   0.00405 -0.00348  0.01143 -530.68847 936.31754 -1590.20562  -0.02943  0.00000  0.00000  0.00000
+   H   -0.05656  0.64594 -0.91209   0.01684 -0.00678  0.01884 -127.45561 -704.68083 1957.70448  -0.05091  0.00000  0.00000  0.00000
+   H   -0.00224  0.60727  0.93827  -0.00071 -0.00084 -0.00504 -363.76808 -16.96120 314.22237  -0.03686  0.00000  0.00000  0.00000
+   H    0.89202 -0.68383  0.04302  -0.00092  0.00555 -0.00538 1310.16782 -1455.81589 126.39275  -0.03683  0.00000  0.00000  0.00000
+5 
+time=    6.000 (fs) Energy= -8.21145 (Hartree) Temperature=  206.221 (Given Temp.=  300.000) Cell_Vectors= 10.00000  0.00000  0.00000  0.00000 10.00000  0.00000  0.00000  0.00000 10.00000 
+   C    0.03587  0.01348  0.01375  -0.01252 -0.01466 -0.00550  5.43284 881.29694 -473.55509   0.15119  0.00000  0.00000  0.00000
+   H   -0.90064 -0.56915 -0.11290   0.00643 -0.00272  0.01226 -533.20057 892.79728 -1243.96738  -0.03280  0.00000  0.00000  0.00000
+   H   -0.05156  0.63683 -0.88539   0.01641  0.00487  0.00246 499.69345 -911.39081 2670.70584  -0.02986  0.00000  0.00000  0.00000
+   H   -0.00824  0.60796  0.93677  -0.00024 -0.00070 -0.00411 -600.61235 69.09121 -149.61568  -0.03719  0.00000  0.00000  0.00000
+   H    0.90265 -0.69439  0.03948  -0.01012  0.01311 -0.00519 1063.50481 -1055.73414 -354.42262  -0.05134  0.00000  0.00000  0.00000
+5 
+time=    7.000 (fs) Energy= -8.21052 (Hartree) Temperature=  194.594 (Given Temp.=  300.000) Cell_Vectors= 10.00000  0.00000  0.00000  0.00000 10.00000  0.00000  0.00000  0.00000 10.00000 
+   C    0.03397  0.02128  0.00764  -0.00720 -0.03381  0.01259 -189.80370 780.11351 -611.14910   0.14026  0.00000  0.00000  0.00000
+   H   -0.90424 -0.56196 -0.12045   0.00723 -0.00232  0.01190 -360.18691 719.12656 -754.94086  -0.03598  0.00000  0.00000  0.00000
+   H   -0.03991  0.62971 -0.85859   0.01474  0.01887 -0.01768 1165.04456 -712.42531 2679.84281  -0.00520  0.00000  0.00000  0.00000
+   H   -0.01580  0.60791  0.93211   0.00037 -0.00016 -0.00236 -755.63059 -5.67070 -465.98897  -0.03789  0.00000  0.00000  0.00000
+   H    0.90688 -0.69890  0.03224  -0.01516  0.01730 -0.00452 422.71682 -451.15757 -724.20682  -0.06118  0.00000  0.00000  0.00000
+5 
+time=    8.000 (fs) Energy= -8.20984 (Hartree) Temperature=  125.107 (Given Temp.=  300.000) Cell_Vectors= 10.00000  0.00000  0.00000  0.00000 10.00000  0.00000  0.00000  0.00000 10.00000 
+   C    0.03088  0.02551  0.00237  -0.00477 -0.04504  0.02575 -308.68876 422.49169 -527.34976   0.12802  0.00000  0.00000  0.00000
+   H   -0.90517 -0.55808 -0.12182   0.00630 -0.00224  0.01021 -92.94170 388.24054 -136.81503  -0.03788  0.00000  0.00000  0.00000
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+5 
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+5 
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+5 
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+5 
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+5 
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+   H   -0.91688 -0.49655 -0.22118  -0.00337 -0.00117 -0.00702 -1218.77534 -797.82267 331.94062  -0.02328  0.00000  0.00000  0.00000
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+   C   -0.01667  0.02298 -0.02174   0.00315 -0.04768  0.03376 -903.70153 110.50107 -806.10562   0.13270  0.00000  0.00000  0.00000
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+5 
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+5 
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+5 
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+   H   -0.07189  0.45645 -0.94761   0.00406  0.00500 -0.00873 -1278.17587 -1215.74923 966.25195  -0.02068  0.00000  0.00000  0.00000
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+   H   -0.08142  0.47414 -0.94122   0.01384  0.00413  0.00370 567.76982 1120.51573 -328.61613  -0.03565  0.00000  0.00000  0.00000
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+   C    0.02031 -0.00069  0.04909  -0.03358 -0.03491 -0.05501 93.82356 652.62509 -98.74006   0.13212  0.00000  0.00000  0.00000
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+   H   -0.05649  0.49490 -0.95362   0.01267  0.00262  0.00894 1445.29966 960.94388 -683.42062  -0.03722  0.00000  0.00000  0.00000
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+   H   -0.03836  0.50317 -0.96026   0.01041  0.00288  0.00825 1812.87560 826.88234 -664.57411  -0.03430  0.00000  0.00000  0.00000
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+   H    0.29385 -0.99945 -0.16847   0.00761 -0.02921 -0.00496 -2295.09848 787.78350 707.96188   0.00267  0.00000  0.00000  0.00000
+5 
+time=  197.000 (fs) Energy= -8.21155 (Hartree) Temperature=  381.882 (Given Temp.=  300.000) Cell_Vectors= 10.00000  0.00000  0.00000  0.00000 10.00000  0.00000  0.00000  0.00000 10.00000 
+   C   -0.02122  0.00126 -0.03132   0.01940  0.02934  0.03454 -605.37367 554.35666 -1017.20596   0.13360  0.00000  0.00000  0.00000
+   H    0.06553  0.55565 -0.96360  -0.00302  0.00245 -0.00187 2915.43335 1920.59716 330.17778  -0.03343  0.00000  0.00000  0.00000
+   H    0.69073  0.45576  0.76447  -0.02028 -0.01026 -0.02358 -1631.11354 -628.55585 -1224.93783  -0.06954  0.00000  0.00000  0.00000
+   H   -1.02530 -0.01194  0.38822  -0.00533  0.00508 -0.00211 783.70209 -2313.84373 408.79855  -0.02988  0.00000  0.00000  0.00000
+   H    0.27578 -1.00299 -0.16115   0.00930 -0.02657 -0.00693 -1806.97353 -353.40827 731.65838  -0.00075  0.00000  0.00000  0.00000
+5 
+time=  198.000 (fs) Energy= -8.21267 (Hartree) Temperature=  402.759 (Given Temp.=  300.000) Cell_Vectors= 10.00000  0.00000  0.00000  0.00000 10.00000  0.00000  0.00000  0.00000 10.00000 
+   C   -0.02491  0.01098 -0.03696   0.01977  0.00994  0.02660 -368.93547 972.07029 -564.39886   0.13422  0.00000  0.00000  0.00000
+   H    0.09476  0.57903 -0.95812  -0.00652  0.00015 -0.00255 2922.23896 2337.56328 547.69004  -0.03637  0.00000  0.00000  0.00000
+   H    0.66599  0.44738  0.74371  -0.01131 -0.00550 -0.01287 -2473.74446 -837.68814 -2076.40837  -0.05415  0.00000  0.00000  0.00000
+   H   -1.01853 -0.02962  0.39436  -0.00955  0.00854 -0.00346 676.74363 -1767.86774 614.50337  -0.02732  0.00000  0.00000  0.00000
+   H    0.26385 -1.01664 -0.15415   0.00770 -0.01319 -0.00761 -1193.40661 -1365.42814 699.98160  -0.01639  0.00000  0.00000  0.00000
+5 
+time=  199.000 (fs) Energy= -8.21212 (Hartree) Temperature=  428.945 (Given Temp.=  300.000) Cell_Vectors= 10.00000  0.00000  0.00000  0.00000 10.00000  0.00000  0.00000  0.00000 10.00000 
+   C   -0.02602  0.02288 -0.03875   0.01273 -0.01473  0.01155 -110.76259 1190.33713 -178.96008   0.13275  0.00000  0.00000  0.00000
+   H    0.12252  0.60426 -0.95115  -0.00975 -0.00273 -0.00225 2776.78160 2522.78600 696.70918  -0.04018  0.00000  0.00000  0.00000
+   H    0.63744  0.43808  0.71935   0.00306  0.00242  0.00419 -2855.11483 -930.89830 -2435.47477  -0.02833  0.00000  0.00000  0.00000
+   H   -1.01471 -0.04131  0.40155  -0.01094  0.01118 -0.00559 382.23144 -1169.60156 718.60445  -0.02804  0.00000  0.00000  0.00000
+   H    0.25747 -1.03501 -0.14815   0.00496  0.00365 -0.00771 -638.53167 -1836.94035 599.93111  -0.03620  0.00000  0.00000  0.00000
diff --git a/tests/test_openmx.py b/tests/test_openmx.py
new file mode 100644
index 00000000..90bf3824
--- /dev/null
+++ b/tests/test_openmx.py
@@ -0,0 +1,62 @@
+import unittest
+
+import numpy as np
+from context import dpdata
+
+
+class TestOPENMXTRAJProps:
+    def test_atom_names(self):
+        self.assertEqual(self.system.data["atom_names"], ["C", "H"])
+
+    def test_atom_numbs(self):
+        self.assertEqual(self.system.data["atom_numbs"], [1, 4])
+
+    def test_atom_types(self):
+        for ii in range(0, 1):
+            self.assertEqual(self.system.data["atom_types"][ii], 0)
+        for ii in range(1, 5):
+            self.assertEqual(self.system.data["atom_types"][ii], 1)
+
+    def test_cell(self):
+        ref = 10.0 * np.eye(3)
+        self.assertEqual(self.system.get_nframes(), 200)
+        for ff in range(self.system.get_nframes()):
+            for ii in range(3):
+                for jj in range(3):
+                    self.assertEqual(self.system["cells"][ff][ii][jj], ref[ii][jj])
+
+    def test_coord(self):
+        with open("openmx/Methane.md") as md_file:
+            lines = md_file.readlines()
+        lines = lines[-5:]
+        coords = []
+        for line in lines:
+            parts = line.split()
+            for_line = [float(parts[1]), float(parts[2]), float(parts[3])]
+            coords.append(for_line)
+        coords = np.array(coords)
+        celll = 10.0
+        ## Applying PBC ##
+        for ii in range(5):
+            for jj in range(3):
+                if coords[ii][jj] < 0:
+                    coords[ii][jj] += celll
+                elif coords[ii][jj] >= celll:
+                    coords[ii][jj] -= celll
+                self.assertAlmostEqual(
+                    self.system["coords"][-1][ii][jj], coords[ii][jj]
+                )
+
+
+class TestOPENMXTraj(unittest.TestCase, TestOPENMXTRAJProps):
+    def setUp(self):
+        self.system = dpdata.System("openmx/Methane", fmt="openmx/out")
+
+
+class TestOPENMXLabeledTraj(unittest.TestCase, TestOPENMXTRAJProps):
+    def setUp(self):
+        self.system = dpdata.LabeledSystem("openmx/Methane", fmt="openmx/out")
+
+
+if __name__ == "__main__":
+    unittest.main()