# 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 = FePd2Pt # 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 3.122635646e+02 3.122635646e+02 1.30 2.891290216e+02 2.891290216e+02 1.32 2.676729060e+02 2.676729060e+02 1.34 2.477713489e+02 2.477713489e+02 1.36 2.293069737e+02 2.293069737e+02 1.38 2.121671877e+02 2.121671877e+02 1.40 1.962451839e+02 1.962451839e+02 1.42 1.814422696e+02 1.814422696e+02 1.44 1.676691094e+02 1.676691094e+02 1.46 1.548452899e+02 1.548452899e+02 1.48 1.428981418e+02 1.428981418e+02 1.50 1.317614426e+02 1.317614426e+02 1.52 1.213740050e+02 1.213740050e+02 1.54 1.116785090e+02 1.116785090e+02 1.56 1.026212982e+02 1.026212982e+02 1.58 9.415314678e+01 9.415314678e+01 1.60 8.623011057e+01 8.623011057e+01 1.62 7.881360566e+01 7.881360566e+01 1.64 7.186963296e+01 7.186963296e+01 1.66 6.536777118e+01 6.536777118e+01 1.68 5.928057728e+01 5.928057728e+01 1.70 5.362104349e+01 5.362104349e+01 1.72 4.843722997e+01 4.843722997e+01 1.74 4.369620121e+01 4.369620121e+01 1.76 3.936273707e+01 3.936273707e+01 1.78 3.540260676e+01 3.540260676e+01 1.80 3.178300853e+01 3.178300853e+01 1.82 2.847335655e+01 2.847335655e+01 1.84 2.544583581e+01 2.544583581e+01 1.86 2.267549149e+01 2.267549149e+01 1.88 2.013997484e+01 2.013997484e+01 1.90 1.781918971e+01 1.781918971e+01 1.92 1.569499921e+01 1.569499921e+01 1.94 1.375100521e+01 1.375100521e+01 1.96 1.197234708e+01 1.197234708e+01 1.98 1.034549879e+01 1.034549879e+01 2.00 8.858088952e+00 8.858088952e+00 2.02 7.498768267e+00 7.498768267e+00 2.04 6.257121121e+00 6.257121121e+00 2.06 5.123600811e+00 5.123600811e+00 2.08 4.089468012e+00 4.089468012e+00 2.10 3.146722806e+00 3.146722806e+00 2.12 2.288033107e+00 2.288033107e+00 2.14 1.506670149e+00 1.506670149e+00 2.16 7.964600341e-01 7.964600341e-01 2.18 1.517515455e-01 1.517515455e-01 2.20 -4.326074212e-01 -4.326074212e-01 2.22 -9.612936873e-01 -9.612936873e-01 2.24 -1.438537825e+00 -1.438537825e+00 2.26 -1.868159291e+00 -1.868159291e+00 2.28 -2.253607026e+00 -2.253607026e+00 2.30 -2.598005047e+00 -2.598005047e+00 2.32 -2.904202612e+00 -2.904202612e+00 2.34 -3.174827390e+00 -3.174827390e+00 2.36 -3.412338279e+00 -3.412338279e+00 2.38 -3.619131179e+00 -3.619131179e+00 2.40 -3.798766017e+00 -3.798766017e+00 2.42 -3.953601271e+00 -3.953601271e+00 2.44 -4.085349388e+00 -4.085349388e+00 2.46 -4.195757309e+00 -4.195757309e+00 2.48 -4.286598282e+00 -4.286598282e+00 2.50 -4.359658958e+00 -4.359658958e+00 2.52 -4.416715952e+00 -4.416715952e+00 2.54 -4.459497306e+00 -4.459497306e+00 2.56 -4.489630935e+00 -4.489630935e+00 2.58 -4.508590255e+00 -4.508590255e+00 2.60 -4.517651379e+00 -4.517651379e+00 2.62 -4.517873401e+00 -4.517873401e+00 2.64 -4.510232835e+00 -4.510232835e+00 2.66 -4.496013063e+00 -4.496013063e+00 2.68 -4.475479052e+00 -4.475479052e+00 2.70 -4.448734712e+00 -4.448734712e+00 2.72 -4.415897253e+00 -4.415897253e+00 2.74 -4.377097753e+00 -4.377097753e+00 2.76 -4.332492848e+00 -4.332492848e+00 2.78 -4.282270502e+00 -4.282270502e+00 2.80 -4.226656161e+00 -4.226656161e+00 2.82 -4.165961674e+00 -4.165961674e+00 2.84 -4.100597521e+00 -4.100597521e+00 2.86 -4.031016930e+00 -4.031016930e+00 2.88 -3.957720488e+00 -3.957720488e+00 2.90 -3.881221254e+00 -3.881221254e+00 2.92 -3.802031646e+00 -3.802031646e+00 2.94 -3.720717342e+00 -3.720717342e+00 2.96 -3.637878421e+00 -3.637878421e+00 2.98 -3.554115913e+00 -3.554115913e+00 3.00 -3.469994253e+00 -3.469994253e+00 3.02 -3.386006130e+00 -3.386006130e+00 3.04 -3.302546430e+00 -3.302546430e+00 3.06 -3.219900399e+00 -3.219900399e+00 3.08 -3.138297972e+00 -3.138297972e+00 3.10 -3.057950418e+00 -3.057950418e+00 3.12 -2.978956363e+00 -2.978956363e+00 3.14 -2.901330380e+00 -2.901330380e+00 3.16 -2.825041928e+00 -2.825041928e+00 3.18 -2.750045712e+00 -2.750045712e+00 3.20 -2.676302747e+00 -2.676302747e+00 3.22 -2.603792975e+00 -2.603792975e+00 3.24 -2.532520915e+00 -2.532520915e+00 3.26 -2.462515986e+00 -2.462515986e+00 3.28 -2.393829045e+00 -2.393829045e+00 3.30 -2.326526467e+00 -2.326526467e+00 3.32 -2.260682962e+00 -2.260682962e+00 3.34 -2.196374147e+00 -2.196374147e+00 3.36 -2.133669726e+00 -2.133669726e+00 3.38 -2.072627925e+00 -2.072627925e+00 3.40 -2.013291578e+00 -2.013291578e+00 3.42 -1.955685993e+00 -1.955685993e+00 3.44 -1.899818477e+00 -1.899818477e+00 3.46 -1.845679248e+00 -1.845679248e+00 3.48 -1.793243317e+00 -1.793243317e+00 3.50 -1.742472934e+00 -1.742472934e+00 3.52 -1.693320218e+00 -1.693320218e+00 3.54 -1.645729672e+00 -1.645729672e+00 3.56 -1.599640402e+00 -1.599640402e+00 3.58 -1.554987923e+00 -1.554987923e+00 3.60 -1.511705536e+00 -1.511705536e+00 3.62 -1.469725320e+00 -1.469725320e+00 3.64 -1.428978789e+00 -1.428978789e+00 3.66 -1.389397328e+00 -1.389397328e+00 3.68 -1.350912480e+00 -1.350912480e+00 3.70 -1.313456185e+00 -1.313456185e+00 3.72 -1.276961014e+00 -1.276961014e+00 3.74 -1.241360465e+00 -1.241360465e+00 3.76 -1.206589320e+00 -1.206589320e+00 3.78 -1.172584067e+00 -1.172584067e+00 3.80 -1.139283365e+00 -1.139283365e+00 3.82 -1.106628510e+00 -1.106628510e+00 3.84 -1.074563886e+00 -1.074563886e+00 3.86 -1.043037371e+00 -1.043037371e+00 3.88 -1.012000711e+00 -1.012000711e+00 3.90 -9.814098775e-01 -9.814098775e-01 3.92 -9.512254645e-01 -9.512254645e-01 3.94 -9.214131870e-01 -9.214131870e-01 3.96 -8.919445162e-01 -8.919445162e-01 3.98 -8.627975180e-01 -8.627975180e-01 4.00 -8.339578712e-01 -8.339578712e-01 4.02 -8.054200219e-01 -8.054200219e-01 4.04 -7.771883646e-01 -7.771883646e-01 4.06 -7.492782804e-01 -7.492782804e-01 4.08 -7.217168284e-01 -7.217168284e-01 4.10 -6.945428609e-01 -6.945428609e-01 4.12 -6.678063844e-01 -6.678063844e-01 4.14 -6.415669751e-01 -6.415669751e-01 4.16 -6.158912854e-01 -6.158912854e-01 4.18 -5.908496769e-01 -5.908496769e-01 4.20 -5.665122276e-01 -5.665122276e-01 4.22 -5.429444457e-01 -5.429444457e-01 4.24 -5.202031003e-01 -5.202031003e-01 4.26 -4.983325857e-01 -4.983325857e-01 4.28 -4.773621789e-01 -4.773621789e-01 4.30 -4.573044327e-01 -4.573044327e-01 4.32 -4.381547930e-01 -4.381547930e-01 4.34 -4.198923702e-01 -4.198923702e-01 4.36 -4.024816635e-01 -4.024816635e-01 4.38 -3.858749549e-01 -3.858749549e-01 4.40 -3.700150644e-01 -3.700150644e-01 4.42 -3.548381857e-01 -3.548381857e-01 4.44 -3.402765829e-01 -3.402765829e-01 4.46 -3.262610048e-01 -3.262610048e-01 4.48 -3.127227516e-01 -3.127227516e-01 4.50 -2.995953880e-01 -2.995953880e-01 4.52 -2.868161435e-01 -2.868161435e-01 4.54 -2.743270597e-01 -2.743270597e-01 4.56 -2.620759557e-01 -2.620759557e-01 4.58 -2.500172691e-01 -2.500172691e-01 4.60 -2.381128187e-01 -2.381128187e-01 4.62 -2.263325049e-01 -2.263325049e-01 4.64 -2.146549448e-01 -2.146549448e-01 4.66 -2.030680052e-01 -2.030680052e-01 4.68 -1.915691828e-01 -1.915691828e-01 4.70 -1.801657597e-01 -1.801657597e-01 4.72 -1.688746598e-01 -1.688746598e-01 4.74 -1.577219398e-01 -1.577219398e-01 4.76 -1.467418648e-01 -1.467418648e-01 4.78 -1.359755549e-01 -1.359755549e-01 4.80 -1.254692256e-01 -1.254692256e-01 4.82 -1.152720968e-01 -1.152720968e-01 4.84 -1.054340719e-01 -1.054340719e-01 4.86 -9.600334769e-02 -9.600334769e-02 4.88 -8.702410928e-02 -8.702410928e-02 4.90 -7.853447844e-02 -7.853447844e-02 4.92 -7.056486087e-02 -7.056486087e-02 4.94 -6.313679536e-02 -6.313679536e-02 4.96 -5.626237865e-02 -5.626237865e-02 4.98 -4.994424069e-02 -4.994424069e-02 5.00 -4.417603529e-02 -4.417603529e-02 5.02 -3.894334654e-02 -3.894334654e-02 5.04 -3.422516350e-02 -3.422516350e-02 5.06 -2.999475338e-02 -2.999475338e-02 5.08 -2.622114795e-02 -2.622114795e-02 5.10 -2.287089208e-02 -2.287089208e-02 5.12 -1.990924244e-02 -1.990924244e-02 5.14 -1.730123371e-02 -1.730123371e-02 5.16 -1.501252462e-02 -1.501252462e-02 5.18 -1.300994435e-02 -1.300994435e-02 5.20 -1.126247539e-02 -1.126247539e-02 5.22 -9.741247518e-03 -9.741247518e-03 5.24 -8.419670444e-03 -8.419670444e-03 5.26 -7.273527680e-03 -7.273527680e-03 5.28 -6.280973106e-03 -6.280973106e-03 5.30 -5.422456805e-03 -5.422456805e-03 5.32 -4.680602633e-03 -4.680602633e-03 5.34 -4.040055631e-03 -4.040055631e-03 5.36 -3.487313362e-03 -3.487313362e-03 5.38 -3.010551660e-03 -3.010551660e-03 5.40 -2.599452338e-03 -2.599452338e-03 5.42 -2.245037981e-03 -2.245037981e-03 5.44 -1.939517071e-03 -1.939517071e-03 5.46 -1.676141312e-03 -1.676141312e-03 5.48 -1.449075950e-03 -1.449075950e-03 5.50 -1.253283177e-03 -1.253283177e-03 5.52 -1.084418225e-03 -1.084418225e-03 5.54 -9.387374121e-04 -9.387374121e-04 5.56 -8.130172571e-04 -8.130172571e-04 5.58 -7.044836660e-04 -7.044836660e-04 5.60 -6.107501863e-04 -6.107501863e-04 5.62 -5.297643490e-04 -5.297643490e-04 5.64 -4.597611645e-04 -4.597611645e-04 5.66 -3.992229108e-04 -3.992229108e-04 5.68 -3.468444275e-04 -3.468444275e-04 5.70 -3.015032070e-04 -3.015032070e-04 5.72 -2.622336513e-04 -2.622336513e-04 5.74 -2.282049369e-04 -2.282049369e-04 5.76 -1.987019949e-04 -1.987019949e-04 5.78 -1.731091791e-04 -1.731091791e-04 5.80 -1.508962479e-04 -1.508962479e-04 5.82 -1.316063343e-04 -1.316063343e-04 5.84 -1.148456259e-04 -1.148456259e-04 5.86 -1.002745107e-04 -1.002745107e-04 5.88 -8.759998169e-05 -8.759998169e-05 5.90 -7.656911924e-05 -7.656911924e-05 5.92 -6.696349914e-05 -6.696349914e-05 5.94 -5.859439233e-05 -5.859439233e-05 5.96 -5.129864400e-05 -5.129864400e-05 5.98 -4.493513452e-05 -4.493513452e-05 6.00 -3.938173908e-05 -3.938173908e-05