# 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 = Mo2PtZr # 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 3.998189054e+02 3.998189054e+02 1.30 3.727438706e+02 3.727438706e+02 1.32 3.475159848e+02 3.475159848e+02 1.34 3.239949765e+02 3.239949765e+02 1.36 3.020661305e+02 3.020661305e+02 1.38 2.816273360e+02 2.816273360e+02 1.40 2.625786063e+02 2.625786063e+02 1.42 2.448186670e+02 2.448186670e+02 1.44 2.282468601e+02 2.282468601e+02 1.46 2.127675935e+02 2.127675935e+02 1.48 1.982944517e+02 1.982944517e+02 1.50 1.847518466e+02 1.847518466e+02 1.52 1.720736839e+02 1.720736839e+02 1.54 1.602007927e+02 1.602007927e+02 1.56 1.490783960e+02 1.490783960e+02 1.58 1.386547244e+02 1.386547244e+02 1.60 1.288805004e+02 1.288805004e+02 1.62 1.197089430e+02 1.197089430e+02 1.64 1.110959355e+02 1.110959355e+02 1.66 1.030004420e+02 1.030004420e+02 1.68 9.538513441e+01 9.538513441e+01 1.70 8.821689654e+01 8.821689654e+01 1.72 8.146726227e+01 8.146726227e+01 1.74 7.511238108e+01 7.511238108e+01 1.76 6.913243651e+01 6.913243651e+01 1.78 6.351073132e+01 6.351073132e+01 1.80 5.823271703e+01 5.823271703e+01 1.82 5.328501580e+01 5.328501580e+01 1.84 4.865424767e+01 4.865424767e+01 1.86 4.432589630e+01 4.432589630e+01 1.88 4.028356958e+01 4.028356958e+01 1.90 3.650945531e+01 3.650945531e+01 1.92 3.298513427e+01 3.298513427e+01 1.94 2.972005546e+01 2.972005546e+01 1.96 2.672101606e+01 2.672101606e+01 1.98 2.396275333e+01 2.396275333e+01 2.00 2.142308440e+01 2.142308440e+01 2.02 1.908263101e+01 1.908263101e+01 2.04 1.692436679e+01 1.692436679e+01 2.06 1.493316160e+01 1.493316160e+01 2.08 1.309541013e+01 1.309541013e+01 2.10 1.139870665e+01 1.139870665e+01 2.12 9.831675630e+00 9.831675630e+00 2.14 8.383859281e+00 8.383859281e+00 2.16 7.045691690e+00 7.045691690e+00 2.18 5.808498162e+00 5.808498162e+00 2.20 4.664491857e+00 4.664491857e+00 2.22 3.606723644e+00 3.606723644e+00 2.24 2.629004888e+00 2.629004888e+00 2.26 1.725811300e+00 1.725811300e+00 2.28 8.922032653e-01 8.922032653e-01 2.30 1.237211352e-01 1.237211352e-01 2.32 -5.836919750e-01 -5.836919750e-01 2.34 -1.233752045e+00 -1.233752045e+00 2.36 -1.829917136e+00 -1.829917136e+00 2.38 -2.375440767e+00 -2.375440767e+00 2.40 -2.873416619e+00 -2.873416619e+00 2.42 -3.326816634e+00 -3.326816634e+00 2.44 -3.738515224e+00 -3.738515224e+00 2.46 -4.111315257e+00 -4.111315257e+00 2.48 -4.447961715e+00 -4.447961715e+00 2.50 -4.751142076e+00 -4.751142076e+00 2.52 -5.023466524e+00 -5.023466524e+00 2.54 -5.267426715e+00 -5.267426715e+00 2.56 -5.485340510e+00 -5.485340510e+00 2.58 -5.679298282e+00 -5.679298282e+00 2.60 -5.851128593e+00 -5.851128593e+00 2.62 -6.002392585e+00 -6.002392585e+00 2.64 -6.134421056e+00 -6.134421056e+00 2.66 -6.248347668e+00 -6.248347668e+00 2.68 -6.345175321e+00 -6.345175321e+00 2.70 -6.425822803e+00 -6.425822803e+00 2.72 -6.491164903e+00 -6.491164903e+00 2.74 -6.542102546e+00 -6.542102546e+00 2.76 -6.579820775e+00 -6.579820775e+00 2.78 -6.605965954e+00 -6.605965954e+00 2.80 -6.620837488e+00 -6.620837488e+00 2.82 -6.625040412e+00 -6.625040412e+00 2.84 -6.619316685e+00 -6.619316685e+00 2.86 -6.604407090e+00 -6.604407090e+00 2.88 -6.581052949e+00 -6.581052949e+00 2.90 -6.549991869e+00 -6.549991869e+00 2.92 -6.511879254e+00 -6.511879254e+00 2.94 -6.467327339e+00 -6.467327339e+00 2.96 -6.416790509e+00 -6.416790509e+00 2.98 -6.360381122e+00 -6.360381122e+00 3.00 -6.298242585e+00 -6.298242585e+00 3.02 -6.230578945e+00 -6.230578945e+00 3.04 -6.157620691e+00 -6.157620691e+00 3.06 -6.079606089e+00 -6.079606089e+00 3.08 -5.996744036e+00 -5.996744036e+00 3.10 -5.909213554e+00 -5.909213554e+00 3.12 -5.817155621e+00 -5.817155621e+00 3.14 -5.720688524e+00 -5.720688524e+00 3.16 -5.619899926e+00 -5.619899926e+00 3.18 -5.514870382e+00 -5.514870382e+00 3.20 -5.405682169e+00 -5.405682169e+00 3.22 -5.292431771e+00 -5.292431771e+00 3.24 -5.175242770e+00 -5.175242770e+00 3.26 -5.054278972e+00 -5.054278972e+00 3.28 -4.929756936e+00 -4.929756936e+00 3.30 -4.801956440e+00 -4.801956440e+00 3.32 -4.671227369e+00 -4.671227369e+00 3.34 -4.537992035e+00 -4.537992035e+00 3.36 -4.402742885e+00 -4.402742885e+00 3.38 -4.266036178e+00 -4.266036178e+00 3.40 -4.128481428e+00 -4.128481428e+00 3.42 -3.990732669e+00 -3.990732669e+00 3.44 -3.853466668e+00 -3.853466668e+00 3.46 -3.717444986e+00 -3.717444986e+00 3.48 -3.583665151e+00 -3.583665151e+00 3.50 -3.453047990e+00 -3.453047990e+00 3.52 -3.326343810e+00 -3.326343810e+00 3.54 -3.204125996e+00 -3.204125996e+00 3.56 -3.086793764e+00 -3.086793764e+00 3.58 -2.974583332e+00 -2.974583332e+00 3.60 -2.867585760e+00 -2.867585760e+00 3.62 -2.765769196e+00 -2.765769196e+00 3.64 -2.669003177e+00 -2.669003177e+00 3.66 -2.577082897e+00 -2.577082897e+00 3.68 -2.489751894e+00 -2.489751894e+00 3.70 -2.406722122e+00 -2.406722122e+00 3.72 -2.327690920e+00 -2.327690920e+00 3.74 -2.252354760e+00 -2.252354760e+00 3.76 -2.180419920e+00 -2.180419920e+00 3.78 -2.111610324e+00 -2.111610324e+00 3.80 -2.045672800e+00 -2.045672800e+00 3.82 -1.982379973e+00 -1.982379973e+00 3.84 -1.921530964e+00 -1.921530964e+00 3.86 -1.862950089e+00 -1.862950089e+00 3.88 -1.806483895e+00 -1.806483895e+00 3.90 -1.751996991e+00 -1.751996991e+00 3.92 -1.699366461e+00 -1.699366461e+00 3.94 -1.648481305e+00 -1.648481305e+00 3.96 -1.599232829e+00 -1.599232829e+00 3.98 -1.551516987e+00 -1.551516987e+00 4.00 -1.505232780e+00 -1.505232780e+00 4.02 -1.460283271e+00 -1.460283271e+00 4.04 -1.416577665e+00 -1.416577665e+00 4.06 -1.374033924e+00 -1.374033924e+00 4.08 -1.332581451e+00 -1.332581451e+00 4.10 -1.292158348e+00 -1.292158348e+00 4.12 -1.252733962e+00 -1.252733962e+00 4.14 -1.214276261e+00 -1.214276261e+00 4.16 -1.176774551e+00 -1.176774551e+00 4.18 -1.140231433e+00 -1.140231433e+00 4.20 -1.104659880e+00 -1.104659880e+00 4.22 -1.070079445e+00 -1.070079445e+00 4.24 -1.036511994e+00 -1.036511994e+00 4.26 -1.003977405e+00 -1.003977405e+00 4.28 -9.724897095e-01 -9.724897095e-01 4.30 -9.420540699e-01 -9.420540699e-01 4.32 -9.126648359e-01 -9.126648359e-01 4.34 -8.843047693e-01 -8.843047693e-01 4.36 -8.569453365e-01 -8.569453365e-01 4.38 -8.305478557e-01 -8.305478557e-01 4.40 -8.050652149e-01 -8.050652149e-01 4.42 -7.804438738e-01 -7.804438738e-01 4.44 -7.566259037e-01 -7.566259037e-01 4.46 -7.335508880e-01 -7.335508880e-01 4.48 -7.111575760e-01 -7.111575760e-01 4.50 -6.893852578e-01 -6.893852578e-01 4.52 -6.681748570e-01 -6.681748570e-01 4.54 -6.474695501e-01 -6.474695501e-01 4.56 -6.272161883e-01 -6.272161883e-01 4.58 -6.073655515e-01 -6.073655515e-01 4.60 -5.878727708e-01 -5.878727708e-01 4.62 -5.686979992e-01 -5.686979992e-01 4.64 -5.498070980e-01 -5.498070980e-01 4.66 -5.311723557e-01 -5.311723557e-01 4.68 -5.127732245e-01 -5.127732245e-01 4.70 -4.945970308e-01 -4.945970308e-01 4.72 -4.766395922e-01 -4.766395922e-01 4.74 -4.589056485e-01 -4.589056485e-01 4.76 -4.414090040e-01 -4.414090040e-01 4.78 -4.241722831e-01 -4.241722831e-01 4.80 -4.072230394e-01 -4.072230394e-01 4.82 -3.906057861e-01 -3.906057861e-01 4.84 -3.743594899e-01 -3.743594899e-01 4.86 -3.585299728e-01 -3.585299728e-01 4.88 -3.431636559e-01 -3.431636559e-01 4.90 -3.283050428e-01 -3.283050428e-01 4.92 -3.139943195e-01 -3.139943195e-01 4.94 -3.002652750e-01 -3.002652750e-01 4.96 -2.871437107e-01 -2.871437107e-01 4.98 -2.746464443e-01 -2.746464443e-01 5.00 -2.627809431e-01 -2.627809431e-01 5.02 -2.515455500e-01 -2.515455500e-01 5.04 -2.409302091e-01 -2.409302091e-01 5.06 -2.309175631e-01 -2.309175631e-01 5.08 -2.214842787e-01 -2.214842787e-01 5.10 -2.126024653e-01 -2.126024653e-01 5.12 -2.042410717e-01 -2.042410717e-01 5.14 -1.963671745e-01 -1.963671745e-01 5.16 -1.889471028e-01 -1.889471028e-01 5.18 -1.819473700e-01 -1.819473700e-01 5.20 -1.753354079e-01 -1.753354079e-01 5.22 -1.690801131e-01 -1.690801131e-01 5.24 -1.631522268e-01 -1.631522268e-01 5.26 -1.575245723e-01 -1.575245723e-01 5.28 -1.521721787e-01 -1.521721787e-01 5.30 -1.470723147e-01 -1.470723147e-01 5.32 -1.422044551e-01 -1.422044551e-01 5.34 -1.375501979e-01 -1.375501979e-01 5.36 -1.330931462e-01 -1.330931462e-01 5.38 -1.288187657e-01 -1.288187657e-01 5.40 -1.247142251e-01 -1.247142251e-01 5.42 -1.207682260e-01 -1.207682260e-01 5.44 -1.169708255e-01 -1.169708255e-01 5.46 -1.133132545e-01 -1.133132545e-01 5.48 -1.097877440e-01 -1.097877440e-01 5.50 -1.063873526e-01 -1.063873526e-01 5.52 -1.031058025e-01 -1.031058025e-01 5.54 -9.993733301e-02 -9.993733301e-02 5.56 -9.687657222e-02 -9.687657222e-02 5.58 -9.391843122e-02 -9.391843122e-02 5.60 -9.105835585e-02 -9.105835585e-02 5.62 -8.829175875e-02 -8.829175875e-02 5.64 -8.561365876e-02 -8.561365876e-02 5.66 -8.301925717e-02 -8.301925717e-02 5.68 -8.050390322e-02 -8.050390322e-02 5.70 -7.806306730e-02 -7.806306730e-02 5.72 -7.569232202e-02 -7.569232202e-02 5.74 -7.338732963e-02 -7.338732963e-02 5.76 -7.114383377e-02 -7.114383377e-02 5.78 -6.895765440e-02 -6.895765440e-02 5.80 -6.682468448e-02 -6.682468448e-02 5.82 -6.474088819e-02 -6.474088819e-02 5.84 -6.270230019e-02 -6.270230019e-02 5.86 -6.070502662e-02 -6.070502662e-02 5.88 -5.874524815e-02 -5.874524815e-02 5.90 -5.681922626e-02 -5.681922626e-02 5.92 -5.492331363e-02 -5.492331363e-02 5.94 -5.305396990e-02 -5.305396990e-02 5.96 -5.120778368e-02 -5.120778368e-02 5.98 -4.938150207e-02 -4.938150207e-02 6.00 -4.757206978e-02 -4.757206978e-02