# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = MoPtZr2 # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2024-04-11 r L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 4.401615427e+02 4.401615427e+02 1.30 4.109840070e+02 4.109840070e+02 1.32 3.837865513e+02 3.837865513e+02 1.34 3.584396441e+02 3.584396441e+02 1.36 3.348275773e+02 3.348275773e+02 1.38 3.128370565e+02 3.128370565e+02 1.40 2.923507351e+02 2.923507351e+02 1.42 2.732493424e+02 2.732493424e+02 1.44 2.554183749e+02 2.554183749e+02 1.46 2.387531032e+02 2.387531032e+02 1.48 2.231601203e+02 2.231601203e+02 1.50 2.085572441e+02 2.085572441e+02 1.52 1.948727556e+02 1.948727556e+02 1.54 1.820434818e+02 1.820434818e+02 1.56 1.700124238e+02 1.700124238e+02 1.58 1.587263784e+02 1.587263784e+02 1.60 1.481346177e+02 1.481346177e+02 1.62 1.381886865e+02 1.381886865e+02 1.64 1.288432988e+02 1.288432988e+02 1.66 1.200574255e+02 1.200574255e+02 1.68 1.117951842e+02 1.117951842e+02 1.70 1.040259266e+02 1.040259266e+02 1.72 9.672328898e+01 9.672328898e+01 1.74 8.986338597e+01 8.986338597e+01 1.76 8.342288020e+01 8.342288020e+01 1.78 7.737775161e+01 7.737775161e+01 1.80 7.170324451e+01 7.170324451e+01 1.82 6.637453973e+01 6.637453973e+01 1.84 6.136781516e+01 6.136781516e+01 1.86 5.666094418e+01 5.666094418e+01 1.88 5.223359295e+01 5.223359295e+01 1.90 4.806688202e+01 4.806688202e+01 1.92 4.414309500e+01 4.414309500e+01 1.94 4.044548606e+01 4.044548606e+01 1.96 3.695851110e+01 3.695851110e+01 1.98 3.366865143e+01 3.366865143e+01 2.00 3.056333439e+01 3.056333439e+01 2.02 2.763395978e+01 2.763395978e+01 2.04 2.490297791e+01 2.490297791e+01 2.06 2.236967310e+01 2.236967310e+01 2.08 2.002051533e+01 2.002051533e+01 2.10 1.784307175e+01 1.784307175e+01 2.12 1.582574489e+01 1.582574489e+01 2.14 1.395757257e+01 1.395757257e+01 2.16 1.222807073e+01 1.222807073e+01 2.18 1.062719762e+01 1.062719762e+01 2.20 9.145443530e+00 9.145443530e+00 2.22 7.773933632e+00 7.773933632e+00 2.24 6.504510884e+00 6.504510884e+00 2.26 5.329766364e+00 5.329766364e+00 2.28 4.243007962e+00 4.243007962e+00 2.30 3.238225592e+00 3.238225592e+00 2.32 2.310005937e+00 2.310005937e+00 2.34 1.453417251e+00 1.453417251e+00 2.36 6.639207134e-01 6.639207134e-01 2.38 -6.272741308e-02 -6.272741308e-02 2.40 -7.305482500e-01 -7.305482500e-01 2.42 -1.343395609e+00 -1.343395609e+00 2.44 -1.904974172e+00 -1.904974172e+00 2.46 -2.418851540e+00 -2.418851540e+00 2.48 -2.888448605e+00 -2.888448605e+00 2.50 -3.317026465e+00 -3.317026465e+00 2.52 -3.707673869e+00 -3.707673869e+00 2.54 -4.063294370e+00 -4.063294370e+00 2.56 -4.386588928e+00 -4.386588928e+00 2.58 -4.680034050e+00 -4.680034050e+00 2.60 -4.945863462e+00 -4.945863462e+00 2.62 -5.186062223e+00 -5.186062223e+00 2.64 -5.402390930e+00 -5.402390930e+00 2.66 -5.596405309e+00 -5.596405309e+00 2.68 -5.769505719e+00 -5.769505719e+00 2.70 -5.922972836e+00 -5.922972836e+00 2.72 -6.057997220e+00 -6.057997220e+00 2.74 -6.175697734e+00 -6.175697734e+00 2.76 -6.277129725e+00 -6.277129725e+00 2.78 -6.363283629e+00 -6.363283629e+00 2.80 -6.435093940e+00 -6.435093940e+00 2.82 -6.493465365e+00 -6.493465365e+00 2.84 -6.539268929e+00 -6.539268929e+00 2.86 -6.573256428e+00 -6.573256428e+00 2.88 -6.597290854e+00 -6.597290854e+00 2.90 -6.612085535e+00 -6.612085535e+00 2.92 -6.617924867e+00 -6.617924867e+00 2.94 -6.615138471e+00 -6.615138471e+00 2.96 -6.604027642e+00 -6.604027642e+00 2.98 -6.585059573e+00 -6.585059573e+00 3.00 -6.558762443e+00 -6.558762443e+00 3.02 -6.525504385e+00 -6.525504385e+00 3.04 -6.485604945e+00 -6.485604945e+00 3.06 -6.439414094e+00 -6.439414094e+00 3.08 -6.387269722e+00 -6.387269722e+00 3.10 -6.329500697e+00 -6.329500697e+00 3.12 -6.266413295e+00 -6.266413295e+00 3.14 -6.198310590e+00 -6.198310590e+00 3.16 -6.125414953e+00 -6.125414953e+00 3.18 -6.047876993e+00 -6.047876993e+00 3.20 -5.965863834e+00 -5.965863834e+00 3.22 -5.879571761e+00 -5.879571761e+00 3.24 -5.789230575e+00 -5.789230575e+00 3.26 -5.695107673e+00 -5.695107673e+00 3.28 -5.597510746e+00 -5.597510746e+00 3.30 -5.496787408e+00 -5.496787408e+00 3.32 -5.393320406e+00 -5.393320406e+00 3.34 -5.287518362e+00 -5.287518362e+00 3.36 -5.179803656e+00 -5.179803656e+00 3.38 -5.070600136e+00 -5.070600136e+00 3.40 -4.960321672e+00 -4.960321672e+00 3.42 -4.849372126e+00 -4.849372126e+00 3.44 -4.738132163e+00 -4.738132163e+00 3.46 -4.626964842e+00 -4.626964842e+00 3.48 -4.516212194e+00 -4.516212194e+00 3.50 -4.406192588e+00 -4.406192588e+00 3.52 -4.297196761e+00 -4.297196761e+00 3.54 -4.189483048e+00 -4.189483048e+00 3.56 -4.083272718e+00 -4.083272718e+00 3.58 -3.978746338e+00 -3.978746338e+00 3.60 -3.876041831e+00 -3.876041831e+00 3.62 -3.775254553e+00 -3.775254553e+00 3.64 -3.676439398e+00 -3.676439398e+00 3.66 -3.579614702e+00 -3.579614702e+00 3.68 -3.484767577e+00 -3.484767577e+00 3.70 -3.391860299e+00 -3.391860299e+00 3.72 -3.300837358e+00 -3.300837358e+00 3.74 -3.211633033e+00 -3.211633033e+00 3.76 -3.124193209e+00 -3.124193209e+00 3.78 -3.038488567e+00 -3.038488567e+00 3.80 -2.954495009e+00 -2.954495009e+00 3.82 -2.872196189e+00 -2.872196189e+00 3.84 -2.791586423e+00 -2.791586423e+00 3.86 -2.712671055e+00 -2.712671055e+00 3.88 -2.635464258e+00 -2.635464258e+00 3.90 -2.559984703e+00 -2.559984703e+00 3.92 -2.486246602e+00 -2.486246602e+00 3.94 -2.414268162e+00 -2.414268162e+00 3.96 -2.344044702e+00 -2.344044702e+00 3.98 -2.275561828e+00 -2.275561828e+00 4.00 -2.208791012e+00 -2.208791012e+00 4.02 -2.143691593e+00 -2.143691593e+00 4.04 -2.080214411e+00 -2.080214411e+00 4.06 -2.018306361e+00 -2.018306361e+00 4.08 -1.957915096e+00 -1.957915096e+00 4.10 -1.898984868e+00 -1.898984868e+00 4.12 -1.841495139e+00 -1.841495139e+00 4.14 -1.785407020e+00 -1.785407020e+00 4.16 -1.730703360e+00 -1.730703360e+00 4.18 -1.677377754e+00 -1.677377754e+00 4.20 -1.625432762e+00 -1.625432762e+00 4.22 -1.574877150e+00 -1.574877150e+00 4.24 -1.525722471e+00 -1.525722471e+00 4.26 -1.477979431e+00 -1.477979431e+00 4.28 -1.431654460e+00 -1.431654460e+00 4.30 -1.386746889e+00 -1.386746889e+00 4.32 -1.343246977e+00 -1.343246977e+00 4.34 -1.301134915e+00 -1.301134915e+00 4.36 -1.260380774e+00 -1.260380774e+00 4.38 -1.220945218e+00 -1.220945218e+00 4.40 -1.182780797e+00 -1.182780797e+00 4.42 -1.145833544e+00 -1.145833544e+00 4.44 -1.110044682e+00 -1.110044682e+00 4.46 -1.075352273e+00 -1.075352273e+00 4.48 -1.041692705e+00 -1.041692705e+00 4.50 -1.009001974e+00 -1.009001974e+00 4.52 -9.772167600e-01 -9.772167600e-01 4.54 -9.462753269e-01 -9.462753269e-01 4.56 -9.161183005e-01 -9.161183005e-01 4.58 -8.866893743e-01 -8.866893743e-01 4.60 -8.579359975e-01 -8.579359975e-01 4.62 -8.298100840e-01 -8.298100840e-01 4.64 -8.022687666e-01 -8.022687666e-01 4.66 -7.752751971e-01 -7.752751971e-01 4.68 -7.487993722e-01 -7.487993722e-01 4.70 -7.228189344e-01 -7.228189344e-01 4.72 -6.973198758e-01 -6.973198758e-01 4.74 -6.722970516e-01 -6.722970516e-01 4.76 -6.477543981e-01 -6.477543981e-01 4.78 -6.237047537e-01 -6.237047537e-01 4.80 -6.001631205e-01 -6.001631205e-01 4.82 -5.771708311e-01 -5.771708311e-01 4.84 -5.547541280e-01 -5.547541280e-01 4.86 -5.329498209e-01 -5.329498209e-01 4.88 -5.117955524e-01 -5.117955524e-01 4.90 -4.913272789e-01 -4.913272789e-01 4.92 -4.715768575e-01 -4.715768575e-01 4.94 -4.525699466e-01 -4.525699466e-01 4.96 -4.343243895e-01 -4.343243895e-01 4.98 -4.168491893e-01 -4.168491893e-01 5.00 -4.001441111e-01 -4.001441111e-01 5.02 -3.841998791e-01 -3.841998791e-01 5.04 -3.689988759e-01 -3.689988759e-01 5.06 -3.545162199e-01 -3.545162199e-01 5.08 -3.407210801e-01 -3.407210801e-01 5.10 -3.275780961e-01 -3.275780961e-01 5.12 -3.150487911e-01 -3.150487911e-01 5.14 -3.030928958e-01 -3.030928958e-01 5.16 -2.916695296e-01 -2.916695296e-01 5.18 -2.807382145e-01 -2.807382145e-01 5.20 -2.702597187e-01 -2.702597187e-01 5.22 -2.601967411e-01 -2.601967411e-01 5.24 -2.505144581e-01 -2.505144581e-01 5.26 -2.411809557e-01 -2.411809557e-01 5.28 -2.321675682e-01 -2.321675682e-01 5.30 -2.234491392e-01 -2.234491392e-01 5.32 -2.150042128e-01 -2.150042128e-01 5.34 -2.068151545e-01 -2.068151545e-01 5.36 -1.988681931e-01 -1.988681931e-01 5.38 -1.911533683e-01 -1.911533683e-01 5.40 -1.836643669e-01 -1.836643669e-01 5.42 -1.763982314e-01 -1.763982314e-01 5.44 -1.693549326e-01 -1.693549326e-01 5.46 -1.625368093e-01 -1.625368093e-01 5.48 -1.559478943e-01 -1.559478943e-01 5.50 -1.495931595e-01 -1.495931595e-01 5.52 -1.434777336e-01 -1.434777336e-01 5.54 -1.376061466e-01 -1.376061466e-01 5.56 -1.319816595e-01 -1.319816595e-01 5.58 -1.266057305e-01 -1.266057305e-01 5.60 -1.214775594e-01 -1.214775594e-01 5.62 -1.165937806e-01 -1.165937806e-01 5.64 -1.119491939e-01 -1.119491939e-01 5.66 -1.075363828e-01 -1.075363828e-01 5.68 -1.033459374e-01 -1.033459374e-01 5.70 -9.936682526e-02 -9.936682526e-02 5.72 -9.558679665e-02 -9.558679665e-02 5.74 -9.199278739e-02 -9.199278739e-02 5.76 -8.857129157e-02 -8.857129157e-02 5.78 -8.530868615e-02 -8.530868615e-02 5.80 -8.219149804e-02 -8.219149804e-02 5.82 -7.920661197e-02 -7.920661197e-02 5.84 -7.634142252e-02 -7.634142252e-02 5.86 -7.358393754e-02 -7.358393754e-02 5.88 -7.092284179e-02 -7.092284179e-02 5.90 -6.834753050e-02 -6.834753050e-02 5.92 -6.584812195e-02 -6.584812195e-02 5.94 -6.341545760e-02 -6.341545760e-02 5.96 -6.104109699e-02 -6.104109699e-02 5.98 -5.871731341e-02 -5.871731341e-02 6.00 -5.643709512e-02 -5.643709512e-02