# 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 = AuMoPt2 # 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 4.133449494e+02 4.133449494e+02 1.30 3.856997303e+02 3.856997303e+02 1.32 3.598564388e+02 3.598564388e+02 1.34 3.356937442e+02 3.356937442e+02 1.36 3.131099271e+02 3.131099271e+02 1.38 2.920142120e+02 2.920142120e+02 1.40 2.723205004e+02 2.723205004e+02 1.42 2.539443259e+02 2.539443259e+02 1.44 2.367999855e+02 2.367999855e+02 1.46 2.207987695e+02 2.207987695e+02 1.48 2.058510943e+02 2.058510943e+02 1.50 1.918706958e+02 1.918706958e+02 1.52 1.787770092e+02 1.787770092e+02 1.54 1.664952240e+02 1.664952240e+02 1.56 1.549559824e+02 1.549559824e+02 1.58 1.440957369e+02 1.440957369e+02 1.60 1.338572934e+02 1.338572934e+02 1.62 1.241899619e+02 1.241899619e+02 1.64 1.150493092e+02 1.150493092e+02 1.66 1.063968727e+02 1.063968727e+02 1.68 9.820014725e+01 9.820014725e+01 1.70 9.043274212e+01 9.043274212e+01 1.72 8.307408877e+01 8.307408877e+01 1.74 7.610807426e+01 7.610807426e+01 1.76 6.952077695e+01 6.952077695e+01 1.78 6.329837353e+01 6.329837353e+01 1.80 5.742922217e+01 5.742922217e+01 1.82 5.190989717e+01 5.190989717e+01 1.84 4.681211002e+01 4.681211002e+01 1.86 4.215504112e+01 4.215504112e+01 1.88 3.790485084e+01 3.790485084e+01 1.90 3.402947352e+01 3.402947352e+01 1.92 3.049791509e+01 3.049791509e+01 1.94 2.727989375e+01 2.727989375e+01 1.96 2.434610707e+01 2.434610707e+01 1.98 2.166892277e+01 2.166892277e+01 2.00 1.922304764e+01 1.922304764e+01 2.02 1.698587181e+01 1.698587181e+01 2.04 1.493746057e+01 1.493746057e+01 2.06 1.306032252e+01 1.306032252e+01 2.08 1.133908561e+01 1.133908561e+01 2.10 9.760157027e+00 9.760157027e+00 2.12 8.311406724e+00 8.311406724e+00 2.14 6.981906751e+00 6.981906751e+00 2.16 5.761751034e+00 5.761751034e+00 2.18 4.641955919e+00 4.641955919e+00 2.20 3.614412910e+00 3.614412910e+00 2.22 2.671854447e+00 2.671854447e+00 2.24 1.807805316e+00 1.807805316e+00 2.26 1.016512258e+00 1.016512258e+00 2.28 2.928578026e-01 2.928578026e-01 2.30 -3.677320120e-01 -3.677320120e-01 2.32 -9.693785558e-01 -9.693785558e-01 2.34 -1.515836152e+00 -1.515836152e+00 2.36 -2.010570629e+00 -2.010570629e+00 2.38 -2.456830161e+00 -2.456830161e+00 2.40 -2.857707341e+00 -2.857707341e+00 2.42 -3.216190224e+00 -3.216190224e+00 2.44 -3.535199176e+00 -3.535199176e+00 2.46 -3.817607296e+00 -3.817607296e+00 2.48 -4.066245243e+00 -4.066245243e+00 2.50 -4.283894115e+00 -4.283894115e+00 2.52 -4.473269543e+00 -4.473269543e+00 2.54 -4.636996862e+00 -4.636996862e+00 2.56 -4.777575581e+00 -4.777575581e+00 2.58 -4.897327479e+00 -4.897327479e+00 2.60 -4.998474880e+00 -4.998474880e+00 2.62 -5.085083871e+00 -5.085083871e+00 2.64 -5.158804017e+00 -5.158804017e+00 2.66 -5.220438990e+00 -5.220438990e+00 2.68 -5.270654464e+00 -5.270654464e+00 2.70 -5.310007569e+00 -5.310007569e+00 2.72 -5.338977132e+00 -5.338977132e+00 2.74 -5.357988764e+00 -5.357988764e+00 2.76 -5.367428571e+00 -5.367428571e+00 2.78 -5.367580173e+00 -5.367580173e+00 2.80 -5.358662487e+00 -5.358662487e+00 2.82 -5.340913075e+00 -5.340913075e+00 2.84 -5.314592885e+00 -5.314592885e+00 2.86 -5.280024375e+00 -5.280024375e+00 2.88 -5.237597417e+00 -5.237597417e+00 2.90 -5.187620393e+00 -5.187620393e+00 2.92 -5.130484806e+00 -5.130484806e+00 2.94 -5.066687099e+00 -5.066687099e+00 2.96 -4.996828688e+00 -4.996828688e+00 2.98 -4.921600117e+00 -4.921600117e+00 3.00 -4.841748299e+00 -4.841748299e+00 3.02 -4.758024886e+00 -4.758024886e+00 3.04 -4.671139455e+00 -4.671139455e+00 3.06 -4.581726107e+00 -4.581726107e+00 3.08 -4.490314819e+00 -4.490314819e+00 3.10 -4.397318946e+00 -4.397318946e+00 3.12 -4.303038003e+00 -4.303038003e+00 3.14 -4.207671705e+00 -4.207671705e+00 3.16 -4.111340306e+00 -4.111340306e+00 3.18 -4.014107105e+00 -4.014107105e+00 3.20 -3.916000204e+00 -3.916000204e+00 3.22 -3.817031972e+00 -3.817031972e+00 3.24 -3.717215699e+00 -3.717215699e+00 3.26 -3.616579411e+00 -3.616579411e+00 3.28 -3.515177098e+00 -3.515177098e+00 3.30 -3.413097474e+00 -3.413097474e+00 3.32 -3.310470291e+00 -3.310470291e+00 3.34 -3.207469972e+00 -3.207469972e+00 3.36 -3.104316290e+00 -3.104316290e+00 3.38 -3.001289305e+00 -3.001289305e+00 3.40 -2.898922051e+00 -2.898922051e+00 3.42 -2.797877954e+00 -2.797877954e+00 3.44 -2.698764349e+00 -2.698764349e+00 3.46 -2.602115166e+00 -2.602115166e+00 3.48 -2.508378928e+00 -2.508378928e+00 3.50 -2.417910392e+00 -2.417910392e+00 3.52 -2.330966978e+00 -2.330966978e+00 3.54 -2.247710364e+00 -2.247710364e+00 3.56 -2.168212839e+00 -2.168212839e+00 3.58 -2.092467482e+00 -2.092467482e+00 3.60 -2.020400835e+00 -2.020400835e+00 3.62 -1.951886713e+00 -1.951886713e+00 3.64 -1.886759929e+00 -1.886759929e+00 3.66 -1.824828973e+00 -1.824828973e+00 3.68 -1.765887045e+00 -1.765887045e+00 3.70 -1.709721135e+00 -1.709721135e+00 3.72 -1.656119124e+00 -1.656119124e+00 3.74 -1.604875042e+00 -1.604875042e+00 3.76 -1.555792730e+00 -1.555792730e+00 3.78 -1.508688198e+00 -1.508688198e+00 3.80 -1.463390965e+00 -1.463390965e+00 3.82 -1.419744623e+00 -1.419744623e+00 3.84 -1.377606870e+00 -1.377606870e+00 3.86 -1.336849156e+00 -1.336849156e+00 3.88 -1.297356095e+00 -1.297356095e+00 3.90 -1.259024760e+00 -1.259024760e+00 3.92 -1.221763929e+00 -1.221763929e+00 3.94 -1.185493378e+00 -1.185493378e+00 3.96 -1.150143247e+00 -1.150143247e+00 3.98 -1.115653543e+00 -1.115653543e+00 4.00 -1.081973786e+00 -1.081973786e+00 4.02 -1.049062781e+00 -1.049062781e+00 4.04 -1.016888484e+00 -1.016888484e+00 4.06 -9.854278793e-01 -9.854278793e-01 4.08 -9.546667796e-01 -9.546667796e-01 4.10 -9.245993955e-01 -9.245993955e-01 4.12 -8.952276226e-01 -8.952276226e-01 4.14 -8.665598336e-01 -8.665598336e-01 4.16 -8.386092970e-01 -8.386092970e-01 4.18 -8.113921525e-01 -8.113921525e-01 4.20 -7.849251207e-01 -7.849251207e-01 4.22 -7.592231388e-01 -7.592231388e-01 4.24 -7.342971496e-01 -7.342971496e-01 4.26 -7.101522578e-01 -7.101522578e-01 4.28 -6.867863992e-01 -6.867863992e-01 4.30 -6.641895828e-01 -6.641895828e-01 4.32 -6.423436741e-01 -6.423436741e-01 4.34 -6.212226253e-01 -6.212226253e-01 4.36 -6.007930254e-01 -6.007930254e-01 4.38 -5.810148523e-01 -5.810148523e-01 4.40 -5.618423343e-01 -5.618423343e-01 4.42 -5.432248619e-01 -5.432248619e-01 4.44 -5.251079199e-01 -5.251079199e-01 4.46 -5.074340308e-01 -5.074340308e-01 4.48 -4.901437084e-01 -4.901437084e-01 4.50 -4.731764266e-01 -4.731764266e-01 4.52 -4.564716153e-01 -4.564716153e-01 4.54 -4.399696947e-01 -4.399696947e-01 4.56 -4.236131712e-01 -4.236131712e-01 4.58 -4.073478152e-01 -4.073478152e-01 4.60 -3.911239471e-01 -3.911239471e-01 4.62 -3.748978447e-01 -3.748978447e-01 4.64 -3.586332737e-01 -3.586332737e-01 4.66 -3.423031173e-01 -3.423031173e-01 4.68 -3.258910459e-01 -3.258910459e-01 4.70 -3.093931343e-01 -3.093931343e-01 4.72 -2.928192895e-01 -2.928192895e-01 4.74 -2.761943215e-01 -2.761943215e-01 4.76 -2.595584704e-01 -2.595584704e-01 4.78 -2.429672050e-01 -2.429672050e-01 4.80 -2.264901439e-01 -2.264901439e-01 4.82 -2.102090240e-01 -2.102090240e-01 4.84 -1.942147149e-01 -1.942147149e-01 4.86 -1.786034380e-01 -1.786034380e-01 4.88 -1.634724168e-01 -1.634724168e-01 4.90 -1.489153082e-01 -1.489153082e-01 4.92 -1.350178002e-01 -1.350178002e-01 4.94 -1.218537576e-01 -1.218537576e-01 4.96 -1.094822273e-01 -1.094822273e-01 4.98 -9.794552617e-02 -9.794552617e-02 5.00 -8.726847258e-02 -8.726847258e-02 5.02 -7.745870189e-02 -7.745870189e-02 5.04 -6.850792167e-02 -6.850792167e-02 5.06 -6.039387030e-02 -6.039387030e-02 5.08 -5.308272092e-02 -5.308272092e-02 5.10 -4.653224267e-02 -4.653224267e-02 5.12 -4.069372410e-02 -4.069372410e-02 5.14 -3.551337362e-02 -3.551337362e-02 5.16 -3.093573181e-02 -3.093573181e-02 5.18 -2.690539933e-02 -2.690539933e-02 5.20 -2.336837995e-02 -2.336837995e-02 5.22 -2.027309950e-02 -2.027309950e-02 5.24 -1.757110160e-02 -1.757110160e-02 5.26 -1.521735855e-02 -1.521735855e-02 5.28 -1.317034218e-02 -1.317034218e-02 5.30 -1.139307702e-02 -1.139307702e-02 5.32 -9.852220620e-03 -9.852220620e-03 5.34 -8.517878985e-03 -8.517878985e-03 5.36 -7.363448408e-03 -7.363448408e-03 5.38 -6.365397902e-03 -6.365397902e-03 5.40 -5.503019583e-03 -5.503019583e-03 5.42 -4.758166547e-03 -4.758166547e-03 5.44 -4.114991737e-03 -4.114991737e-03 5.46 -3.559696666e-03 -3.559696666e-03 5.48 -3.080295543e-03 -3.080295543e-03 5.50 -2.666397843e-03 -2.666397843e-03 5.52 -2.309010679e-03 -2.309010679e-03 5.54 -2.000361128e-03 -2.000361128e-03 5.56 -1.733737885e-03 -1.733737885e-03 5.58 -1.503351127e-03 -1.503351127e-03 5.60 -1.304209213e-03 -1.304209213e-03 5.62 -1.132010706e-03 -1.132010706e-03 5.64 -9.830501695e-04 -9.830501695e-04 5.66 -8.541362512e-04 -8.541362512e-04 5.68 -7.425206332e-04 -7.425206332e-04 5.70 -6.458365430e-04 -6.458365430e-04 5.72 -5.620456308e-04 -5.620456308e-04 5.74 -4.893921414e-04 -4.893921414e-04 5.76 -4.263634244e-04 -4.263634244e-04 5.78 -3.716559364e-04 -3.716559364e-04 5.80 -3.241459942e-04 -3.241459942e-04 5.82 -2.828646263e-04 -2.828646263e-04 5.84 -2.469759582e-04 -2.469759582e-04 5.86 -2.157586390e-04 -2.157586390e-04 5.88 -1.885898838e-04 -1.885898838e-04 5.90 -1.649317639e-04 -1.649317639e-04 5.92 -1.443194281e-04 -1.443194281e-04 5.94 -1.263509817e-04 -1.263509817e-04 5.96 -1.106787886e-04 -1.106787886e-04 5.98 -9.700199395e-05 -9.700199395e-05 6.00 -8.506009592e-05 -8.506009592e-05