# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Starikov-S-Grigorev-P-Lee-S-H-et-al--W-Mo-Nb-Zr-Ti-Ta # implementation = 2026--Starikov-S--W-Mo-Nb-Zr-Ti-Ta--LAMMPS--ipr1 # composition = Mo2TaZr # 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 2025-12-17 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 5.198602581e+02 5.198602581e+02 1.08 4.783862648e+02 4.783862648e+02 1.10 4.405464919e+02 4.405464919e+02 1.12 4.058285711e+02 4.058285711e+02 1.14 3.737944779e+02 3.737944779e+02 1.16 3.443607374e+02 3.443607374e+02 1.18 3.173265540e+02 3.173265540e+02 1.20 2.923021594e+02 2.923021594e+02 1.22 2.691876170e+02 2.691876170e+02 1.24 2.480313536e+02 2.480313536e+02 1.26 2.287264843e+02 2.287264843e+02 1.28 2.111753401e+02 2.111753401e+02 1.30 1.952482787e+02 1.952482787e+02 1.32 1.806585528e+02 1.806585528e+02 1.34 1.672195929e+02 1.672195929e+02 1.36 1.546168441e+02 1.546168441e+02 1.38 1.428334209e+02 1.428334209e+02 1.40 1.319566672e+02 1.319566672e+02 1.42 1.219562326e+02 1.219562326e+02 1.44 1.128242063e+02 1.128242063e+02 1.46 1.043517556e+02 1.043517556e+02 1.48 9.634628973e+01 9.634628973e+01 1.50 8.889583737e+01 8.889583737e+01 1.52 8.217069445e+01 8.217069445e+01 1.54 7.609246149e+01 7.609246149e+01 1.56 7.052489020e+01 7.052489020e+01 1.58 6.529236816e+01 6.529236816e+01 1.60 6.043721541e+01 6.043721541e+01 1.62 5.584539117e+01 5.584539117e+01 1.64 5.154380139e+01 5.154380139e+01 1.66 4.755944677e+01 4.755944677e+01 1.68 4.384440161e+01 4.384440161e+01 1.70 4.040493452e+01 4.040493452e+01 1.72 3.726194591e+01 3.726194591e+01 1.74 3.438858150e+01 3.438858150e+01 1.76 3.173693423e+01 3.173693423e+01 1.78 2.924976176e+01 2.924976176e+01 1.80 2.689641680e+01 2.689641680e+01 1.82 2.474552044e+01 2.474552044e+01 1.84 2.279344213e+01 2.279344213e+01 1.86 2.100831687e+01 2.100831687e+01 1.88 1.938373152e+01 1.938373152e+01 1.90 1.792127707e+01 1.792127707e+01 1.92 1.660939426e+01 1.660939426e+01 1.94 1.542873784e+01 1.542873784e+01 1.96 1.435461609e+01 1.435461609e+01 1.98 1.335494348e+01 1.335494348e+01 2.00 1.239587564e+01 1.239587564e+01 2.02 1.146548289e+01 1.146548289e+01 2.04 1.053522365e+01 1.053522365e+01 2.06 9.623428825e+00 9.623428825e+00 2.08 8.734738395e+00 8.734738395e+00 2.10 7.868482417e+00 7.868482417e+00 2.12 7.049695356e+00 7.049695356e+00 2.14 6.193440030e+00 6.193440030e+00 2.16 5.353738012e+00 5.353738012e+00 2.18 4.544152231e+00 4.544152231e+00 2.20 3.781796039e+00 3.781796039e+00 2.22 3.064777382e+00 3.064777382e+00 2.24 2.191801603e+00 2.191801603e+00 2.26 1.306538319e+00 1.306538319e+00 2.28 5.176416677e-01 5.176416677e-01 2.30 -2.154444337e-01 -2.154444337e-01 2.32 -9.356057214e-01 -9.356057214e-01 2.34 -1.589110284e+00 -1.589110284e+00 2.36 -2.157539606e+00 -2.157539606e+00 2.38 -2.673211125e+00 -2.673211125e+00 2.40 -3.142482827e+00 -3.142482827e+00 2.42 -3.596772131e+00 -3.596772131e+00 2.44 -4.024508740e+00 -4.024508740e+00 2.46 -4.403162384e+00 -4.403162384e+00 2.48 -4.729624750e+00 -4.729624750e+00 2.50 -5.022312004e+00 -5.022312004e+00 2.52 -5.283963917e+00 -5.283963917e+00 2.54 -5.516547570e+00 -5.516547570e+00 2.56 -5.719333271e+00 -5.719333271e+00 2.58 -5.898717844e+00 -5.898717844e+00 2.60 -6.063180674e+00 -6.063180674e+00 2.62 -6.229885023e+00 -6.229885023e+00 2.64 -6.406759651e+00 -6.406759651e+00 2.66 -6.576907166e+00 -6.576907166e+00 2.68 -6.720762836e+00 -6.720762836e+00 2.70 -6.833027008e+00 -6.833027008e+00 2.72 -6.915080760e+00 -6.915080760e+00 2.74 -6.976094592e+00 -6.976094592e+00 2.76 -7.022509815e+00 -7.022509815e+00 2.78 -7.058486962e+00 -7.058486962e+00 2.80 -7.081264660e+00 -7.081264660e+00 2.82 -7.086784293e+00 -7.086784293e+00 2.84 -7.076969100e+00 -7.076969100e+00 2.86 -7.057567940e+00 -7.057567940e+00 2.88 -7.030336983e+00 -7.030336983e+00 2.90 -6.999441350e+00 -6.999441350e+00 2.92 -6.968733582e+00 -6.968733582e+00 2.94 -6.934960355e+00 -6.934960355e+00 2.96 -6.892937806e+00 -6.892937806e+00 2.98 -6.840828901e+00 -6.840828901e+00 3.00 -6.778045239e+00 -6.778045239e+00 3.02 -6.700527193e+00 -6.700527193e+00 3.04 -6.602981804e+00 -6.602981804e+00 3.06 -6.486496529e+00 -6.486496529e+00 3.08 -6.363264311e+00 -6.363264311e+00 3.10 -6.251628732e+00 -6.251628732e+00 3.12 -6.153212061e+00 -6.153212061e+00 3.14 -6.055037115e+00 -6.055037115e+00 3.16 -5.953806059e+00 -5.953806059e+00 3.18 -5.846302200e+00 -5.846302200e+00 3.20 -5.740354071e+00 -5.740354071e+00 3.22 -5.649953973e+00 -5.649953973e+00 3.24 -5.589935721e+00 -5.589935721e+00 3.26 -5.542562165e+00 -5.542562165e+00 3.28 -5.491873584e+00 -5.491873584e+00 3.30 -5.436534162e+00 -5.436534162e+00 3.32 -5.375155624e+00 -5.375155624e+00 3.34 -5.307168251e+00 -5.307168251e+00 3.36 -5.232208843e+00 -5.232208843e+00 3.38 -5.149536887e+00 -5.149536887e+00 3.40 -5.057717679e+00 -5.057717679e+00 3.42 -4.957036204e+00 -4.957036204e+00 3.44 -4.852979042e+00 -4.852979042e+00 3.46 -4.755310122e+00 -4.755310122e+00 3.48 -4.670629191e+00 -4.670629191e+00 3.50 -4.592221228e+00 -4.592221228e+00 3.52 -4.508400309e+00 -4.508400309e+00 3.54 -4.408379932e+00 -4.408379932e+00 3.56 -4.283298449e+00 -4.283298449e+00 3.58 -4.140904150e+00 -4.140904150e+00 3.60 -3.997148906e+00 -3.997148906e+00 3.62 -3.860366892e+00 -3.860366892e+00 3.64 -3.732957329e+00 -3.732957329e+00 3.66 -3.613240134e+00 -3.613240134e+00 3.68 -3.495841994e+00 -3.495841994e+00 3.70 -3.373926743e+00 -3.373926743e+00 3.72 -3.240754457e+00 -3.240754457e+00 3.74 -3.099869133e+00 -3.099869133e+00 3.76 -2.967591780e+00 -2.967591780e+00 3.78 -2.859363008e+00 -2.859363008e+00 3.80 -2.787737405e+00 -2.787737405e+00 3.82 -2.729951580e+00 -2.729951580e+00 3.84 -2.672008652e+00 -2.672008652e+00 3.86 -2.611336166e+00 -2.611336166e+00 3.88 -2.546472725e+00 -2.546472725e+00 3.90 -2.478410797e+00 -2.478410797e+00 3.92 -2.408565019e+00 -2.408565019e+00 3.94 -2.337600460e+00 -2.337600460e+00 3.96 -2.265541128e+00 -2.265541128e+00 3.98 -2.192320312e+00 -2.192320312e+00 4.00 -2.118402483e+00 -2.118402483e+00 4.02 -2.044853982e+00 -2.044853982e+00 4.04 -1.972643724e+00 -1.972643724e+00 4.06 -1.902802732e+00 -1.902802732e+00 4.08 -1.836393181e+00 -1.836393181e+00 4.10 -1.774260095e+00 -1.774260095e+00 4.12 -1.717385672e+00 -1.717385672e+00 4.14 -1.666452342e+00 -1.666452342e+00 4.16 -1.621941101e+00 -1.621941101e+00 4.18 -1.584071128e+00 -1.584071128e+00 4.20 -1.552507974e+00 -1.552507974e+00 4.22 -1.526516778e+00 -1.526516778e+00 4.24 -1.505126476e+00 -1.505126476e+00 4.26 -1.487198707e+00 -1.487198707e+00 4.28 -1.471669740e+00 -1.471669740e+00 4.30 -1.457518652e+00 -1.457518652e+00 4.32 -1.443745132e+00 -1.443745132e+00 4.34 -1.429504477e+00 -1.429504477e+00 4.36 -1.414740030e+00 -1.414740030e+00 4.38 -1.399641268e+00 -1.399641268e+00 4.40 -1.384402233e+00 -1.384402233e+00 4.42 -1.369236172e+00 -1.369236172e+00 4.44 -1.354370464e+00 -1.354370464e+00 4.46 -1.339879436e+00 -1.339879436e+00 4.48 -1.325459250e+00 -1.325459250e+00 4.50 -1.310847958e+00 -1.310847958e+00 4.52 -1.295798553e+00 -1.295798553e+00 4.54 -1.280063991e+00 -1.280063991e+00 4.56 -1.263395937e+00 -1.263395937e+00 4.58 -1.245458665e+00 -1.245458665e+00 4.60 -1.225855687e+00 -1.225855687e+00 4.62 -1.204660016e+00 -1.204660016e+00 4.64 -1.182220423e+00 -1.182220423e+00 4.66 -1.158877010e+00 -1.158877010e+00 4.68 -1.134950985e+00 -1.134950985e+00 4.70 -1.110943990e+00 -1.110943990e+00 4.72 -1.087504114e+00 -1.087504114e+00 4.74 -1.065203877e+00 -1.065203877e+00 4.76 -1.044174960e+00 -1.044174960e+00 4.78 -1.024411725e+00 -1.024411725e+00 4.80 -1.005927820e+00 -1.005927820e+00 4.82 -9.889240482e-01 -9.889240482e-01 4.84 -9.737862375e-01 -9.737862375e-01 4.86 -9.609168190e-01 -9.609168190e-01 4.88 -9.505539812e-01 -9.505539812e-01 4.90 -9.427691768e-01 -9.427691768e-01 4.92 -9.374895604e-01 -9.374895604e-01 4.94 -9.336302359e-01 -9.336302359e-01 4.96 -9.297190081e-01 -9.297190081e-01 4.98 -9.242748659e-01 -9.242748659e-01 5.00 -9.158401951e-01 -9.158401951e-01 5.02 -9.034690469e-01 -9.034690469e-01 5.04 -8.867957544e-01 -8.867957544e-01 5.06 -8.666932253e-01 -8.666932253e-01 5.08 -8.443504301e-01 -8.443504301e-01 5.10 -8.210020340e-01 -8.210020340e-01 5.12 -7.979227934e-01 -7.979227934e-01 5.14 -7.763336111e-01 -7.763336111e-01 5.16 -7.564543554e-01 -7.564543554e-01 5.18 -7.370290820e-01 -7.370290820e-01 5.20 -7.165891161e-01 -7.165891161e-01 5.22 -6.936607421e-01 -6.936607421e-01 5.24 -6.667744471e-01 -6.667744471e-01 5.26 -6.345459325e-01 -6.345459325e-01 5.28 -5.978006864e-01 -5.978006864e-01 5.30 -5.599075615e-01 -5.599075615e-01 5.32 -5.243058115e-01 -5.243058115e-01 5.34 -4.944307923e-01 -4.944307923e-01 5.36 -4.737111571e-01 -4.737111571e-01 5.38 -4.626901579e-01 -4.626901579e-01 5.40 -4.517527975e-01 -4.517527975e-01 5.42 -4.397497209e-01 -4.397497209e-01 5.44 -4.269924577e-01 -4.269924577e-01 5.46 -4.138353135e-01 -4.138353135e-01 5.48 -4.006324801e-01 -4.006324801e-01 5.50 -3.877382179e-01 -3.877382179e-01 5.52 -3.755068431e-01 -3.755068431e-01 5.54 -3.642924731e-01 -3.642924731e-01 5.56 -3.543495621e-01 -3.543495621e-01 5.58 -3.457800248e-01 -3.457800248e-01 5.60 -3.386758348e-01 -3.386758348e-01 5.62 -3.331301009e-01 -3.331301009e-01 5.64 -3.292357318e-01 -3.292357318e-01 5.66 -3.270847884e-01 -3.270847884e-01 5.68 -3.266192349e-01 -3.266192349e-01 5.70 -3.272220708e-01 -3.272220708e-01 5.72 -3.281750048e-01 -3.281750048e-01 5.74 -3.287642593e-01 -3.287642593e-01 5.76 -3.282789096e-01 -3.282789096e-01 5.78 -3.260091541e-01 -3.260091541e-01 5.80 -3.212480962e-01 -3.212480962e-01 5.82 -3.136932526e-01 -3.136932526e-01 5.84 -3.038315097e-01 -3.038315097e-01 5.86 -2.922418048e-01 -2.922418048e-01 5.88 -2.795026312e-01 -2.795026312e-01 5.90 -2.661922682e-01 -2.661922682e-01 5.92 -2.528891550e-01 -2.528891550e-01 5.94 -2.401376276e-01 -2.401376276e-01 5.96 -2.278092259e-01 -2.278092259e-01 5.98 -2.151601587e-01 -2.151601587e-01 6.00 -2.014216677e-01 -2.014216677e-01