# 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 = MgPdZr2 # 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 4.426990205e+02 4.426990205e+02 1.30 4.121265635e+02 4.121265635e+02 1.32 3.837447341e+02 3.837447341e+02 1.34 3.573823940e+02 3.573823940e+02 1.36 3.328827907e+02 3.328827907e+02 1.38 3.101020624e+02 3.101020624e+02 1.40 2.889081669e+02 2.889081669e+02 1.42 2.691801165e+02 2.691801165e+02 1.44 2.508074147e+02 2.508074147e+02 1.46 2.336893249e+02 2.336893249e+02 1.48 2.177339015e+02 2.177339015e+02 1.50 2.028570025e+02 2.028570025e+02 1.52 1.889814188e+02 1.889814188e+02 1.54 1.760359600e+02 1.760359600e+02 1.56 1.639547062e+02 1.639547062e+02 1.58 1.526764711e+02 1.526764711e+02 1.60 1.421444928e+02 1.421444928e+02 1.62 1.323061935e+02 1.323061935e+02 1.64 1.231130482e+02 1.231130482e+02 1.66 1.145203904e+02 1.145203904e+02 1.68 1.064871510e+02 1.064871510e+02 1.70 9.897553869e+01 9.897553869e+01 1.72 9.195059698e+01 9.195059698e+01 1.74 8.537979158e+01 8.537979158e+01 1.76 7.923272826e+01 7.923272826e+01 1.78 7.348103715e+01 7.348103715e+01 1.80 6.809828151e+01 6.809828151e+01 1.82 6.305980371e+01 6.305980371e+01 1.84 5.834252072e+01 5.834252072e+01 1.86 5.392485521e+01 5.392485521e+01 1.88 4.978680167e+01 4.978680167e+01 1.90 4.591070178e+01 4.591070178e+01 1.92 4.227970785e+01 4.227970785e+01 1.94 3.887809500e+01 3.887809500e+01 1.96 3.569859605e+01 3.569859605e+01 1.98 3.273283801e+01 3.273283801e+01 2.00 2.996715216e+01 2.996715216e+01 2.02 2.738885316e+01 2.738885316e+01 2.04 2.498606032e+01 2.498606032e+01 2.06 2.274757636e+01 2.274757636e+01 2.08 2.066279754e+01 2.066279754e+01 2.10 1.872167422e+01 1.872167422e+01 2.12 1.691469095e+01 1.691469095e+01 2.14 1.523287484e+01 1.523287484e+01 2.16 1.366781932e+01 1.366781932e+01 2.18 1.221168542e+01 1.221168542e+01 2.20 1.085719571e+01 1.085719571e+01 2.22 9.597582880e+00 9.597582880e+00 2.24 8.426549333e+00 8.426549333e+00 2.26 7.338245026e+00 7.338245026e+00 2.28 6.327247387e+00 6.327247387e+00 2.30 5.388580161e+00 5.388580161e+00 2.32 4.517659942e+00 4.517659942e+00 2.34 3.710274713e+00 3.710274713e+00 2.36 2.962506384e+00 2.962506384e+00 2.38 2.270673596e+00 2.270673596e+00 2.40 1.631280928e+00 1.631280928e+00 2.42 1.040974075e+00 1.040974075e+00 2.44 4.965237921e-01 4.965237921e-01 2.46 -5.191429775e-03 -5.191429775e-03 2.48 -4.671782913e-01 -4.671782913e-01 2.50 -8.923093154e-01 -8.923093154e-01 2.52 -1.283294421e+00 -1.283294421e+00 2.54 -1.642651124e+00 -1.642651124e+00 2.56 -1.972681699e+00 -1.972681699e+00 2.58 -2.275464496e+00 -2.275464496e+00 2.60 -2.552863019e+00 -2.552863019e+00 2.62 -2.806547450e+00 -2.806547450e+00 2.64 -3.038042185e+00 -3.038042185e+00 2.66 -3.248737310e+00 -3.248737310e+00 2.68 -3.440021899e+00 -3.440021899e+00 2.70 -3.613131908e+00 -3.613131908e+00 2.72 -3.769111867e+00 -3.769111867e+00 2.74 -3.908982584e+00 -3.908982584e+00 2.76 -4.033735450e+00 -4.033735450e+00 2.78 -4.144322243e+00 -4.144322243e+00 2.80 -4.241660700e+00 -4.241660700e+00 2.82 -4.326610912e+00 -4.326610912e+00 2.84 -4.399968109e+00 -4.399968109e+00 2.86 -4.462287292e+00 -4.462287292e+00 2.88 -4.514025064e+00 -4.514025064e+00 2.90 -4.555666265e+00 -4.555666265e+00 2.92 -4.587718409e+00 -4.587718409e+00 2.94 -4.610703691e+00 -4.610703691e+00 2.96 -4.625150108e+00 -4.625150108e+00 2.98 -4.631582366e+00 -4.631582366e+00 3.00 -4.630513659e+00 -4.630513659e+00 3.02 -4.622439439e+00 -4.622439439e+00 3.04 -4.607829462e+00 -4.607829462e+00 3.06 -4.587145963e+00 -4.587145963e+00 3.08 -4.560860359e+00 -4.560860359e+00 3.10 -4.529613179e+00 -4.529613179e+00 3.12 -4.493739493e+00 -4.493739493e+00 3.14 -4.453547413e+00 -4.453547413e+00 3.16 -4.409343389e+00 -4.409343389e+00 3.18 -4.361448968e+00 -4.361448968e+00 3.20 -4.310192829e+00 -4.310192829e+00 3.22 -4.255907766e+00 -4.255907766e+00 3.24 -4.198928404e+00 -4.198928404e+00 3.26 -4.139589908e+00 -4.139589908e+00 3.28 -4.078232850e+00 -4.078232850e+00 3.30 -4.015217223e+00 -4.015217223e+00 3.32 -3.950895378e+00 -3.950895378e+00 3.34 -3.885596606e+00 -3.885596606e+00 3.36 -3.819618215e+00 -3.819618215e+00 3.38 -3.753217752e+00 -3.753217752e+00 3.40 -3.686606994e+00 -3.686606994e+00 3.42 -3.619959841e+00 -3.619959841e+00 3.44 -3.553404903e+00 -3.553404903e+00 3.46 -3.487041079e+00 -3.487041079e+00 3.48 -3.420943130e+00 -3.420943130e+00 3.50 -3.355168781e+00 -3.355168781e+00 3.52 -3.289764258e+00 -3.289764258e+00 3.54 -3.224768033e+00 -3.224768033e+00 3.56 -3.160212982e+00 -3.160212982e+00 3.58 -3.096127370e+00 -3.096127370e+00 3.60 -3.032535108e+00 -3.032535108e+00 3.62 -2.969455685e+00 -2.969455685e+00 3.64 -2.906904122e+00 -2.906904122e+00 3.66 -2.844891197e+00 -2.844891197e+00 3.68 -2.783424140e+00 -2.783424140e+00 3.70 -2.722507932e+00 -2.722507932e+00 3.72 -2.662147255e+00 -2.662147255e+00 3.74 -2.602349076e+00 -2.602349076e+00 3.76 -2.543125674e+00 -2.543125674e+00 3.78 -2.484497832e+00 -2.484497832e+00 3.80 -2.426497654e+00 -2.426497654e+00 3.82 -2.369180467e+00 -2.369180467e+00 3.84 -2.312607508e+00 -2.312607508e+00 3.86 -2.256839513e+00 -2.256839513e+00 3.88 -2.201947437e+00 -2.201947437e+00 3.90 -2.148006698e+00 -2.148006698e+00 3.92 -2.095086989e+00 -2.095086989e+00 3.94 -2.043260619e+00 -2.043260619e+00 3.96 -1.992573880e+00 -1.992573880e+00 3.98 -1.943060487e+00 -1.943060487e+00 4.00 -1.894736395e+00 -1.894736395e+00 4.02 -1.847596471e+00 -1.847596471e+00 4.04 -1.801607986e+00 -1.801607986e+00 4.06 -1.756728887e+00 -1.756728887e+00 4.08 -1.712914642e+00 -1.712914642e+00 4.10 -1.670115033e+00 -1.670115033e+00 4.12 -1.628302356e+00 -1.628302356e+00 4.14 -1.587431905e+00 -1.587431905e+00 4.16 -1.547471315e+00 -1.547471315e+00 4.18 -1.508392799e+00 -1.508392799e+00 4.20 -1.470172569e+00 -1.470172569e+00 4.22 -1.432789972e+00 -1.432789972e+00 4.24 -1.396226551e+00 -1.396226551e+00 4.26 -1.360465157e+00 -1.360465157e+00 4.28 -1.325489200e+00 -1.325489200e+00 4.30 -1.291282101e+00 -1.291282101e+00 4.32 -1.257826927e+00 -1.257826927e+00 4.34 -1.225106199e+00 -1.225106199e+00 4.36 -1.193101836e+00 -1.193101836e+00 4.38 -1.161795192e+00 -1.161795192e+00 4.40 -1.131167163e+00 -1.131167163e+00 4.42 -1.101198327e+00 -1.101198327e+00 4.44 -1.071869118e+00 -1.071869118e+00 4.46 -1.043160010e+00 -1.043160010e+00 4.48 -1.015051735e+00 -1.015051735e+00 4.50 -9.875255115e-01 -9.875255115e-01 4.52 -9.605633152e-01 -9.605633152e-01 4.54 -9.341481729e-01 -9.341481729e-01 4.56 -9.082644933e-01 -9.082644933e-01 4.58 -8.828984205e-01 -8.828984205e-01 4.60 -8.580381981e-01 -8.580381981e-01 4.62 -8.336745196e-01 -8.336745196e-01 4.64 -8.098008338e-01 -8.098008338e-01 4.66 -7.864135667e-01 -7.864135667e-01 4.68 -7.635122175e-01 -7.635122175e-01 4.70 -7.410992902e-01 -7.410992902e-01 4.72 -7.191800311e-01 -7.191800311e-01 4.74 -6.977619584e-01 -6.977619584e-01 4.76 -6.768541944e-01 -6.768541944e-01 4.78 -6.564666358e-01 -6.564666358e-01 4.80 -6.366027520e-01 -6.366027520e-01 4.82 -6.172847684e-01 -6.172847684e-01 4.84 -5.985117887e-01 -5.985117887e-01 4.86 -5.802876982e-01 -5.802876982e-01 4.88 -5.626130602e-01 -5.626130602e-01 4.90 -5.454848026e-01 -5.454848026e-01 4.92 -5.288961480e-01 -5.288961480e-01 4.94 -5.128367685e-01 -5.128367685e-01 4.96 -4.972931198e-01 -4.972931198e-01 4.98 -4.822489053e-01 -4.822489053e-01 5.00 -4.676856099e-01 -4.676856099e-01 5.02 -4.535830559e-01 -4.535830559e-01 5.04 -4.399199381e-01 -4.399199381e-01 5.06 -4.266743112e-01 -4.266743112e-01 5.08 -4.138240118e-01 -4.138240118e-01 5.10 -4.013470137e-01 -4.013470137e-01 5.12 -3.892217169e-01 -3.892217169e-01 5.14 -3.774271832e-01 -3.774271832e-01 5.16 -3.659433295e-01 -3.659433295e-01 5.18 -3.547510955e-01 -3.547510955e-01 5.20 -3.438325977e-01 -3.438325977e-01 5.22 -3.331712844e-01 -3.331712844e-01 5.24 -3.227520975e-01 -3.227520975e-01 5.26 -3.125616494e-01 -3.125616494e-01 5.28 -3.025884114e-01 -3.025884114e-01 5.30 -2.928229099e-01 -2.928229099e-01 5.32 -2.832579156e-01 -2.832579156e-01 5.34 -2.738886088e-01 -2.738886088e-01 5.36 -2.647126945e-01 -2.647126945e-01 5.38 -2.557304411e-01 -2.557304411e-01 5.40 -2.469446149e-01 -2.469446149e-01 5.42 -2.383602869e-01 -2.383602869e-01 5.44 -2.299844980e-01 -2.299844980e-01 5.46 -2.218257839e-01 -2.218257839e-01 5.48 -2.138935755e-01 -2.138935755e-01 5.50 -2.061975119e-01 -2.061975119e-01 5.52 -1.987467147e-01 -1.987467147e-01 5.54 -1.915490850e-01 -1.915490850e-01 5.56 -1.846106808e-01 -1.846106808e-01 5.58 -1.779352280e-01 -1.779352280e-01 5.60 -1.715238009e-01 -1.715238009e-01 5.62 -1.653746868e-01 -1.653746868e-01 5.64 -1.594834296e-01 -1.594834296e-01 5.66 -1.538430271e-01 -1.538430271e-01 5.68 -1.484442462e-01 -1.484442462e-01 5.70 -1.432760137e-01 -1.432760137e-01 5.72 -1.383257362e-01 -1.383257362e-01 5.74 -1.335798311e-01 -1.335798311e-01 5.76 -1.290243125e-01 -1.290243125e-01 5.78 -1.246448980e-01 -1.246448980e-01 5.80 -1.204272985e-01 -1.204272985e-01 5.82 -1.163574499e-01 -1.163574499e-01 5.84 -1.124216851e-01 -1.124216851e-01 5.86 -1.086068551e-01 -1.086068551e-01 5.88 -1.049004089e-01 -1.049004089e-01 5.90 -1.012904429e-01 -1.012904429e-01 5.92 -9.776573013e-02 -9.776573013e-02 5.94 -9.431573796e-02 -9.431573796e-02 5.96 -9.093064400e-02 -9.093064400e-02 5.98 -8.760135549e-02 -8.760135549e-02 6.00 -8.431953873e-02 -8.431953873e-02