# 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 = Pt2TaW # 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 5.006141669e+02 5.006141669e+02 1.30 4.676022741e+02 4.676022741e+02 1.32 4.368225382e+02 4.368225382e+02 1.34 4.081135126e+02 4.081135126e+02 1.36 3.813282528e+02 3.813282528e+02 1.38 3.563326685e+02 3.563326685e+02 1.40 3.330035011e+02 3.330035011e+02 1.42 3.112251317e+02 3.112251317e+02 1.44 2.908849150e+02 2.908849150e+02 1.46 2.718713692e+02 2.718713692e+02 1.48 2.540783088e+02 2.540783088e+02 1.50 2.374107354e+02 2.374107354e+02 1.52 2.217866097e+02 2.217866097e+02 1.54 2.071337810e+02 2.071337810e+02 1.56 1.933853774e+02 1.933853774e+02 1.58 1.804765322e+02 1.804765322e+02 1.60 1.683431978e+02 1.683431978e+02 1.62 1.569226489e+02 1.569226489e+02 1.64 1.461551035e+02 1.461551035e+02 1.66 1.359858918e+02 1.359858918e+02 1.68 1.263675088e+02 1.263675088e+02 1.70 1.172608485e+02 1.172608485e+02 1.72 1.086350379e+02 1.086350379e+02 1.74 1.004656877e+02 1.004656877e+02 1.76 9.273221214e+01 9.273221214e+01 1.78 8.541553896e+01 8.541553896e+01 1.80 7.849713156e+01 7.849713156e+01 1.82 7.195912060e+01 7.195912060e+01 1.84 6.578473416e+01 6.578473416e+01 1.86 5.995843276e+01 5.995843276e+01 1.88 5.446566075e+01 5.446566075e+01 1.90 4.929533849e+01 4.929533849e+01 1.92 4.443371250e+01 4.443371250e+01 1.94 3.986402376e+01 3.986402376e+01 1.96 3.562878183e+01 3.562878183e+01 1.98 3.176388085e+01 3.176388085e+01 2.00 2.823688096e+01 2.823688096e+01 2.02 2.501853646e+01 2.501853646e+01 2.04 2.208231755e+01 2.208231755e+01 2.06 1.940378610e+01 1.940378610e+01 2.08 1.696016279e+01 1.696016279e+01 2.10 1.473015517e+01 1.473015517e+01 2.12 1.269395923e+01 1.269395923e+01 2.14 1.083332623e+01 1.083332623e+01 2.16 9.131634271e+00 9.131634271e+00 2.18 7.573939685e+00 7.573939685e+00 2.20 6.146986490e+00 6.146986490e+00 2.22 4.839151072e+00 4.839151072e+00 2.24 3.640314083e+00 3.640314083e+00 2.26 2.541674994e+00 2.541674994e+00 2.28 1.535539836e+00 1.535539836e+00 2.30 6.151131635e-01 6.151131635e-01 2.32 -2.256834745e-01 -2.256834745e-01 2.34 -9.923561398e-01 -9.923561398e-01 2.36 -1.689946544e+00 -1.689946544e+00 2.38 -2.323112046e+00 -2.323112046e+00 2.40 -2.896190597e+00 -2.896190597e+00 2.42 -3.413262468e+00 -3.413262468e+00 2.44 -3.878214039e+00 -3.878214039e+00 2.46 -4.294799937e+00 -4.294799937e+00 2.48 -4.666693061e+00 -4.666693061e+00 2.50 -4.997510193e+00 -4.997510193e+00 2.52 -5.290803524e+00 -5.290803524e+00 2.54 -5.550014544e+00 -5.550014544e+00 2.56 -5.778393013e+00 -5.778393013e+00 2.58 -5.978839932e+00 -5.978839932e+00 2.60 -6.153986419e+00 -6.153986419e+00 2.62 -6.306043319e+00 -6.306043319e+00 2.64 -6.437000736e+00 -6.437000736e+00 2.66 -6.548502447e+00 -6.548502447e+00 2.68 -6.641897919e+00 -6.641897919e+00 2.70 -6.718325415e+00 -6.718325415e+00 2.72 -6.778781738e+00 -6.778781738e+00 2.74 -6.824166854e+00 -6.824166854e+00 2.76 -6.855204512e+00 -6.855204512e+00 2.78 -6.873742114e+00 -6.873742114e+00 2.80 -6.881233561e+00 -6.881233561e+00 2.82 -6.877549809e+00 -6.877549809e+00 2.84 -6.862678626e+00 -6.862678626e+00 2.86 -6.836716306e+00 -6.836716306e+00 2.88 -6.799867722e+00 -6.799867722e+00 2.90 -6.752452948e+00 -6.752452948e+00 2.92 -6.694916171e+00 -6.694916171e+00 2.94 -6.627831152e+00 -6.627831152e+00 2.96 -6.551897051e+00 -6.551897051e+00 2.98 -6.467919828e+00 -6.467919828e+00 3.00 -6.376777786e+00 -6.376777786e+00 3.02 -6.279374555e+00 -6.279374555e+00 3.04 -6.176586962e+00 -6.176586962e+00 3.06 -6.069217167e+00 -6.069217167e+00 3.08 -5.957957081e+00 -5.957957081e+00 3.10 -5.843369634e+00 -5.843369634e+00 3.12 -5.725887059e+00 -5.725887059e+00 3.14 -5.605823255e+00 -5.605823255e+00 3.16 -5.483395611e+00 -5.483395611e+00 3.18 -5.358751801e+00 -5.358751801e+00 3.20 -5.231997695e+00 -5.231997695e+00 3.22 -5.103223723e+00 -5.103223723e+00 3.24 -4.972527858e+00 -4.972527858e+00 3.26 -4.840034141e+00 -4.840034141e+00 3.28 -4.705906088e+00 -4.705906088e+00 3.30 -4.570354731e+00 -4.570354731e+00 3.32 -4.433641358e+00 -4.433641358e+00 3.34 -4.296075387e+00 -4.296075387e+00 3.36 -4.158008083e+00 -4.158008083e+00 3.38 -4.019823081e+00 -4.019823081e+00 3.40 -3.881924736e+00 -3.881924736e+00 3.42 -3.744725306e+00 -3.744725306e+00 3.44 -3.608631779e+00 -3.608631779e+00 3.46 -3.474033081e+00 -3.474033081e+00 3.48 -3.341288216e+00 -3.341288216e+00 3.50 -3.210715894e+00 -3.210715894e+00 3.52 -3.082593923e+00 -3.082593923e+00 3.54 -2.957375774e+00 -2.957375774e+00 3.56 -2.835662453e+00 -2.835662453e+00 3.58 -2.717903770e+00 -2.717903770e+00 3.60 -2.604399010e+00 -2.604399010e+00 3.62 -2.495319624e+00 -2.495319624e+00 3.64 -2.390734053e+00 -2.390734053e+00 3.66 -2.290632627e+00 -2.290632627e+00 3.68 -2.194950703e+00 -2.194950703e+00 3.70 -2.103588674e+00 -2.103588674e+00 3.72 -2.016427948e+00 -2.016427948e+00 3.74 -1.933342524e+00 -1.933342524e+00 3.76 -1.854206224e+00 -1.854206224e+00 3.78 -1.778896062e+00 -1.778896062e+00 3.80 -1.707292466e+00 -1.707292466e+00 3.82 -1.639277314e+00 -1.639277314e+00 3.84 -1.574730771e+00 -1.574730771e+00 3.86 -1.513527887e+00 -1.513527887e+00 3.88 -1.455535756e+00 -1.455535756e+00 3.90 -1.400611806e+00 -1.400611806e+00 3.92 -1.348603493e+00 -1.348603493e+00 3.94 -1.299349442e+00 -1.299349442e+00 3.96 -1.252681797e+00 -1.252681797e+00 3.98 -1.208429464e+00 -1.208429464e+00 4.00 -1.166421804e+00 -1.166421804e+00 4.02 -1.126492378e+00 -1.126492378e+00 4.04 -1.088482377e+00 -1.088482377e+00 4.06 -1.052243465e+00 -1.052243465e+00 4.08 -1.017639837e+00 -1.017639837e+00 4.10 -9.845493752e-01 -9.845493752e-01 4.12 -9.528639218e-01 -9.528639218e-01 4.14 -9.224885753e-01 -9.224885753e-01 4.16 -8.933403000e-01 -8.933403000e-01 4.18 -8.653458946e-01 -8.653458946e-01 4.20 -8.384396135e-01 -8.384396135e-01 4.22 -8.125607052e-01 -8.125607052e-01 4.24 -7.876511330e-01 -7.876511330e-01 4.26 -7.636536980e-01 -7.636536980e-01 4.28 -7.405106997e-01 -7.405106997e-01 4.30 -7.181631692e-01 -7.181631692e-01 4.32 -6.965506204e-01 -6.965506204e-01 4.34 -6.756111976e-01 -6.756111976e-01 4.36 -6.552820699e-01 -6.552820699e-01 4.38 -6.354999334e-01 -6.354999334e-01 4.40 -6.162015108e-01 -6.162015108e-01 4.42 -5.973239845e-01 -5.973239845e-01 4.44 -5.788053407e-01 -5.788053407e-01 4.46 -5.605846375e-01 -5.605846375e-01 4.48 -5.426022221e-01 -5.426022221e-01 4.50 -5.248000122e-01 -5.248000122e-01 4.52 -5.071217815e-01 -5.071217815e-01 4.54 -4.895135879e-01 -4.895135879e-01 4.56 -4.719252926e-01 -4.719252926e-01 4.58 -4.543102482e-01 -4.543102482e-01 4.60 -4.366245985e-01 -4.366245985e-01 4.62 -4.188314437e-01 -4.188314437e-01 4.64 -4.009021027e-01 -4.009021027e-01 4.66 -3.828176647e-01 -3.828176647e-01 4.68 -3.645707529e-01 -3.645707529e-01 4.70 -3.461673252e-01 -3.461673252e-01 4.72 -3.276283113e-01 -3.276283113e-01 4.74 -3.089908612e-01 -3.089908612e-01 4.76 -2.903089677e-01 -2.903089677e-01 4.78 -2.716532422e-01 -2.716532422e-01 4.80 -2.531096665e-01 -2.531096665e-01 4.82 -2.347772338e-01 -2.347772338e-01 4.84 -2.167644938e-01 -2.167644938e-01 4.86 -1.991851818e-01 -1.991851818e-01 4.88 -1.821532143e-01 -1.821532143e-01 4.90 -1.657774588e-01 -1.657774588e-01 4.92 -1.501567316e-01 -1.501567316e-01 4.94 -1.353754619e-01 -1.353754619e-01 4.96 -1.215003864e-01 -1.215003864e-01 4.98 -1.085785025e-01 -1.085785025e-01 5.00 -9.663635870e-02 -9.663635870e-02 5.02 -8.568060475e-02 -8.568060475e-02 5.04 -7.569960415e-02 -7.569960415e-02 5.06 -6.666583261e-02 -6.666583261e-02 5.08 -5.853875709e-02 -5.853875709e-02 5.10 -5.126790448e-02 -5.126790448e-02 5.12 -4.479587289e-02 -4.479587289e-02 5.14 -3.906109284e-02 -3.906109284e-02 5.16 -3.400024024e-02 -3.400024024e-02 5.18 -2.955022291e-02 -2.955022291e-02 5.20 -2.564973192e-02 -2.564973192e-02 5.22 -2.224037181e-02 -2.224037181e-02 5.24 -1.926743693e-02 -1.926743693e-02 5.26 -1.668026581e-02 -1.668026581e-02 5.28 -1.443232825e-02 -1.443232825e-02 5.30 -1.248218809e-02 -1.248218809e-02 5.32 -1.079260192e-02 -1.079260192e-02 5.34 -9.330290011e-03 -9.330290011e-03 5.36 -8.065722035e-03 -8.065722035e-03 5.38 -6.972845174e-03 -6.972845174e-03 5.40 -6.028783608e-03 -6.028783608e-03 5.42 -5.213529859e-03 -5.213529859e-03 5.44 -4.509641860e-03 -4.509641860e-03 5.46 -3.901954690e-03 -3.901954690e-03 5.48 -3.377312297e-03 -3.377312297e-03 5.50 -2.924321927e-03 -2.924321927e-03 5.52 -2.533132193e-03 -2.533132193e-03 5.54 -2.195234521e-03 -2.195234521e-03 5.56 -1.903286915e-03 -1.903286915e-03 5.58 -1.650958532e-03 -1.650958532e-03 5.60 -1.432793341e-03 -1.432793341e-03 5.62 -1.244091015e-03 -1.244091015e-03 5.64 -1.080803250e-03 -1.080803250e-03 5.66 -9.394437725e-04 -9.394437725e-04 5.68 -8.170103996e-04 -8.170103996e-04 5.70 -7.109176791e-04 -7.109176791e-04 5.72 -6.189387569e-04 -6.189387569e-04 5.74 -5.391552704e-04 -5.391552704e-04 5.76 -4.699142043e-04 -4.699142043e-04 5.78 -4.097907685e-04 -4.097907685e-04 5.80 -3.575564767e-04 -3.575564767e-04 5.82 -3.121517091e-04 -3.121517091e-04 5.84 -2.726621353e-04 -2.726621353e-04 5.86 -2.382984579e-04 -2.382984579e-04 5.88 -2.083790106e-04 -2.083790106e-04 5.90 -1.823148077e-04 -1.823148077e-04 5.92 -1.595966991e-04 -1.595966991e-04 5.94 -1.397843319e-04 -1.397843319e-04 5.96 -1.224966625e-04 -1.224966625e-04 5.98 -1.074038000e-04 -1.074038000e-04 6.00 -9.421999074e-05 -9.421999074e-05