# 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 = Mg2NiPt # 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 3.030965999e+02 3.030965999e+02 1.30 2.808320939e+02 2.808320939e+02 1.32 2.601882654e+02 2.601882654e+02 1.34 2.410444118e+02 2.410444118e+02 1.36 2.232920777e+02 2.232920777e+02 1.38 2.068288031e+02 2.068288031e+02 1.40 1.915543356e+02 1.915543356e+02 1.42 1.773709625e+02 1.773709625e+02 1.44 1.641866831e+02 1.641866831e+02 1.46 1.519187484e+02 1.519187484e+02 1.48 1.404953724e+02 1.404953724e+02 1.50 1.298547323e+02 1.298547323e+02 1.52 1.199421606e+02 1.199421606e+02 1.54 1.107072554e+02 1.107072554e+02 1.56 1.021020818e+02 1.021020818e+02 1.58 9.408045698e+01 9.408045698e+01 1.60 8.659790684e+01 8.659790684e+01 1.62 7.961227183e+01 7.961227183e+01 1.64 7.312769289e+01 7.312769289e+01 1.66 6.713518720e+01 6.713518720e+01 1.68 6.159624128e+01 6.159624128e+01 1.70 5.647816823e+01 5.647816823e+01 1.72 5.175272306e+01 5.175272306e+01 1.74 4.739427797e+01 4.739427797e+01 1.76 4.337808667e+01 4.337808667e+01 1.78 3.967935653e+01 3.967935653e+01 1.80 3.627337625e+01 3.627337625e+01 1.82 3.313627393e+01 3.313627393e+01 1.84 3.024573836e+01 3.024573836e+01 1.86 2.758131246e+01 2.758131246e+01 1.88 2.512428399e+01 2.512428399e+01 1.90 2.285743536e+01 2.285743536e+01 1.92 2.076487726e+01 2.076487726e+01 1.94 1.883203171e+01 1.883203171e+01 1.96 1.704571477e+01 1.704571477e+01 1.98 1.539420200e+01 1.539420200e+01 2.00 1.386718570e+01 1.386718570e+01 2.02 1.245559896e+01 1.245559896e+01 2.04 1.115136197e+01 1.115136197e+01 2.06 9.947130484e+00 9.947130484e+00 2.08 8.836099494e+00 8.836099494e+00 2.10 7.811878884e+00 7.811878884e+00 2.12 6.868428223e+00 6.868428223e+00 2.14 6.000037227e+00 6.000037227e+00 2.16 5.201333372e+00 5.201333372e+00 2.18 4.467294617e+00 4.467294617e+00 2.20 3.793253665e+00 3.793253665e+00 2.22 3.174883077e+00 3.174883077e+00 2.24 2.608170287e+00 2.608170287e+00 2.26 2.089390219e+00 2.089390219e+00 2.28 1.615078635e+00 1.615078635e+00 2.30 1.182009767e+00 1.182009767e+00 2.32 7.861411872e-01 7.861411872e-01 2.34 4.241667994e-01 4.241667994e-01 2.36 9.392229035e-02 9.392229035e-02 2.38 -2.066732118e-01 -2.066732118e-01 2.40 -4.796065363e-01 -4.796065363e-01 2.42 -7.267691770e-01 -7.267691770e-01 2.44 -9.499664460e-01 -9.499664460e-01 2.46 -1.150937338e+00 -1.150937338e+00 2.48 -1.331375506e+00 -1.331375506e+00 2.50 -1.492943210e+00 -1.492943210e+00 2.52 -1.637276367e+00 -1.637276367e+00 2.54 -1.765966760e+00 -1.765966760e+00 2.56 -1.880524575e+00 -1.880524575e+00 2.58 -1.982331422e+00 -1.982331422e+00 2.60 -2.072600329e+00 -2.072600329e+00 2.62 -2.152355266e+00 -2.152355266e+00 2.64 -2.222377654e+00 -2.222377654e+00 2.66 -2.283235687e+00 -2.283235687e+00 2.68 -2.335413792e+00 -2.335413792e+00 2.70 -2.379352093e+00 -2.379352093e+00 2.72 -2.415472450e+00 -2.415472450e+00 2.74 -2.444193059e+00 -2.444193059e+00 2.76 -2.465932034e+00 -2.465932034e+00 2.78 -2.481102895e+00 -2.481102895e+00 2.80 -2.490108144e+00 -2.490108144e+00 2.82 -2.493331956e+00 -2.493331956e+00 2.84 -2.491140942e+00 -2.491140942e+00 2.86 -2.483890127e+00 -2.483890127e+00 2.88 -2.471934976e+00 -2.471934976e+00 2.90 -2.455646261e+00 -2.455646261e+00 2.92 -2.435423673e+00 -2.435423673e+00 2.94 -2.411703784e+00 -2.411703784e+00 2.96 -2.384958595e+00 -2.384958595e+00 2.98 -2.355682935e+00 -2.355682935e+00 3.00 -2.324371996e+00 -2.324371996e+00 3.02 -2.291493570e+00 -2.291493570e+00 3.04 -2.257461354e+00 -2.257461354e+00 3.06 -2.222652873e+00 -2.222652873e+00 3.08 -2.187456321e+00 -2.187456321e+00 3.10 -2.152155489e+00 -2.152155489e+00 3.12 -2.116926755e+00 -2.116926755e+00 3.14 -2.081869858e+00 -2.081869858e+00 3.16 -2.047032170e+00 -2.047032170e+00 3.18 -2.012433110e+00 -2.012433110e+00 3.20 -1.978079743e+00 -1.978079743e+00 3.22 -1.943977268e+00 -1.943977268e+00 3.24 -1.910134942e+00 -1.910134942e+00 3.26 -1.876568601e+00 -1.876568601e+00 3.28 -1.843320062e+00 -1.843320062e+00 3.30 -1.810425222e+00 -1.810425222e+00 3.32 -1.777889842e+00 -1.777889842e+00 3.34 -1.745724567e+00 -1.745724567e+00 3.36 -1.713941546e+00 -1.713941546e+00 3.38 -1.682551816e+00 -1.682551816e+00 3.40 -1.651563643e+00 -1.651563643e+00 3.42 -1.620982237e+00 -1.620982237e+00 3.44 -1.590809475e+00 -1.590809475e+00 3.46 -1.561044062e+00 -1.561044062e+00 3.48 -1.531663109e+00 -1.531663109e+00 3.50 -1.502621419e+00 -1.502621419e+00 3.52 -1.473879928e+00 -1.473879928e+00 3.54 -1.445406511e+00 -1.445406511e+00 3.56 -1.417175199e+00 -1.417175199e+00 3.58 -1.389165401e+00 -1.389165401e+00 3.60 -1.361361174e+00 -1.361361174e+00 3.62 -1.333750552e+00 -1.333750552e+00 3.64 -1.306324946e+00 -1.306324946e+00 3.66 -1.279078638e+00 -1.279078638e+00 3.68 -1.252008388e+00 -1.252008388e+00 3.70 -1.225113167e+00 -1.225113167e+00 3.72 -1.198394018e+00 -1.198394018e+00 3.74 -1.171854030e+00 -1.171854030e+00 3.76 -1.145498382e+00 -1.145498382e+00 3.78 -1.119334376e+00 -1.119334376e+00 3.80 -1.093371365e+00 -1.093371365e+00 3.82 -1.067620489e+00 -1.067620489e+00 3.84 -1.042094115e+00 -1.042094115e+00 3.86 -1.016804980e+00 -1.016804980e+00 3.88 -9.917650728e-01 -9.917650728e-01 3.90 -9.669843954e-01 -9.669843954e-01 3.92 -9.424696550e-01 -9.424696550e-01 3.94 -9.182240497e-01 -9.182240497e-01 3.96 -8.942459199e-01 -8.942459199e-01 3.98 -8.705297275e-01 -8.705297275e-01 4.00 -8.470667680e-01 -8.470667680e-01 4.02 -8.238466087e-01 -8.238466087e-01 4.04 -8.008589025e-01 -8.008589025e-01 4.06 -7.780953694e-01 -7.780953694e-01 4.08 -7.555517266e-01 -7.555517266e-01 4.10 -7.332289579e-01 -7.332289579e-01 4.12 -7.111361510e-01 -7.111361510e-01 4.14 -6.892884419e-01 -6.892884419e-01 4.16 -6.677086436e-01 -6.677086436e-01 4.18 -6.464257248e-01 -6.464257248e-01 4.20 -6.254730202e-01 -6.254730202e-01 4.22 -6.048858473e-01 -6.048858473e-01 4.24 -5.846988034e-01 -5.846988034e-01 4.26 -5.649430880e-01 -5.649430880e-01 4.28 -5.456442040e-01 -5.456442040e-01 4.30 -5.268203358e-01 -5.268203358e-01 4.32 -5.084815828e-01 -5.084815828e-01 4.34 -4.906300811e-01 -4.906300811e-01 4.36 -4.732608991e-01 -4.732608991e-01 4.38 -4.563634798e-01 -4.563634798e-01 4.40 -4.399233402e-01 -4.399233402e-01 4.42 -4.239237327e-01 -4.239237327e-01 4.44 -4.083470186e-01 -4.083470186e-01 4.46 -3.931755851e-01 -3.931755851e-01 4.48 -3.783922387e-01 -3.783922387e-01 4.50 -3.639801119e-01 -3.639801119e-01 4.52 -3.499222084e-01 -3.499222084e-01 4.54 -3.362007726e-01 -3.362007726e-01 4.56 -3.227966913e-01 -3.227966913e-01 4.58 -3.096891204e-01 -3.096891204e-01 4.60 -2.968554792e-01 -2.968554792e-01 4.62 -2.842718900e-01 -2.842718900e-01 4.64 -2.719140633e-01 -2.719140633e-01 4.66 -2.597585672e-01 -2.597585672e-01 4.68 -2.477843651e-01 -2.477843651e-01 4.70 -2.359744753e-01 -2.359744753e-01 4.72 -2.243175886e-01 -2.243175886e-01 4.74 -2.128094792e-01 -2.128094792e-01 4.76 -2.014540496e-01 -2.014540496e-01 4.78 -1.902638784e-01 -1.902638784e-01 4.80 -1.792597897e-01 -1.792597897e-01 4.82 -1.684717188e-01 -1.684717188e-01 4.84 -1.579348988e-01 -1.579348988e-01 4.86 -1.476896711e-01 -1.476896711e-01 4.88 -1.377786968e-01 -1.377786968e-01 4.90 -1.282444042e-01 -1.282444042e-01 4.92 -1.191264488e-01 -1.191264488e-01 4.94 -1.104594178e-01 -1.104594178e-01 4.96 -1.022709752e-01 -1.022709752e-01 4.98 -9.458058615e-02 -9.458058615e-02 5.00 -8.739888034e-02 -8.739888034e-02 5.02 -8.072764043e-02 -8.072764043e-02 5.04 -7.456033543e-02 -7.456033543e-02 5.06 -6.888307539e-02 -6.888307539e-02 5.08 -6.367584360e-02 -6.367584360e-02 5.10 -5.891386435e-02 -5.891386435e-02 5.12 -5.456899099e-02 -5.456899099e-02 5.14 -5.061098394e-02 -5.061098394e-02 5.16 -4.700865546e-02 -4.700865546e-02 5.18 -4.373084992e-02 -4.373084992e-02 5.20 -4.074720931e-02 -4.074720931e-02 5.22 -3.802875100e-02 -3.802875100e-02 5.24 -3.554798778e-02 -3.554798778e-02 5.26 -3.327878873e-02 -3.327878873e-02 5.28 -3.119883047e-02 -3.119883047e-02 5.30 -2.928791481e-02 -2.928791481e-02 5.32 -2.752783702e-02 -2.752783702e-02 5.34 -2.590239847e-02 -2.590239847e-02 5.36 -2.439734979e-02 -2.439734979e-02 5.38 -2.300028656e-02 -2.300028656e-02 5.40 -2.170051016e-02 -2.170051016e-02 5.42 -2.048886482e-02 -2.048886482e-02 5.44 -1.935755947e-02 -1.935755947e-02 5.46 -1.829998080e-02 -1.829998080e-02 5.48 -1.731050409e-02 -1.731050409e-02 5.50 -1.638430829e-02 -1.638430829e-02 5.52 -1.551720201e-02 -1.551720201e-02 5.54 -1.470546675e-02 -1.470546675e-02 5.56 -1.394572247e-02 -1.394572247e-02 5.58 -1.323481932e-02 -1.323481932e-02 5.60 -1.256975663e-02 -1.256975663e-02 5.62 -1.194762864e-02 -1.194762864e-02 5.64 -1.136559396e-02 -1.136559396e-02 5.66 -1.082086444e-02 -1.082086444e-02 5.68 -1.031070853e-02 -1.031070853e-02 5.70 -9.832463747e-03 -9.832463747e-03 5.72 -9.383553882e-03 -9.383553882e-03 5.74 -8.961507461e-03 -8.961507461e-03 5.76 -8.564008685e-03 -8.564008685e-03 5.78 -8.188853235e-03 -8.188853235e-03 5.80 -7.833954472e-03 -7.833954472e-03 5.82 -7.497372900e-03 -7.497372900e-03 5.84 -7.177316344e-03 -7.177316344e-03 5.86 -6.872136986e-03 -6.872136986e-03 5.88 -6.580326092e-03 -6.580326092e-03 5.90 -6.300507251e-03 -6.300507251e-03 5.92 -6.031428920e-03 -6.031428920e-03 5.94 -5.771956913e-03 -5.771956913e-03 5.96 -5.521067400e-03 -5.521067400e-03 5.98 -5.277840819e-03 -5.277840819e-03 6.00 -5.041456982e-03 -5.041456982e-03