# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2024--Starikov-S-Grigorev-P-Olsson-P-A-T--W-Mo-Nb # implementation = 2024--Starikov-S--W-Mo-Nb--LAMMPS--ipr1 # composition = MoNb2W # 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 2024-01-04 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 1.783308217e+10 1.783308217e+10 1.08 1.192235188e+10 1.192235188e+10 1.10 7.970718565e+09 7.970718565e+09 1.12 5.328844280e+09 5.328844280e+09 1.14 3.562612586e+09 3.562612586e+09 1.16 2.381793896e+09 2.381793896e+09 1.18 1.592354527e+09 1.592354527e+09 1.20 1.064572788e+09 1.064572788e+09 1.22 7.117229286e+08 7.117229286e+08 1.24 4.758242450e+08 4.758242450e+08 1.26 3.181135825e+08 3.181135825e+08 1.28 2.126757232e+08 2.126757232e+08 1.30 1.421849774e+08 1.421849774e+08 1.32 9.505821061e+07 9.505821061e+07 1.34 6.355148937e+07 6.355148937e+07 1.36 4.248758814e+07 4.248758814e+07 1.38 2.840526059e+07 2.840526059e+07 1.40 1.899048119e+07 1.899048119e+07 1.42 1.269620250e+07 1.269620250e+07 1.44 8.488142948e+06 8.488142948e+06 1.46 5.674831024e+06 5.674831024e+06 1.48 3.793982180e+06 3.793982180e+06 1.50 2.536533926e+06 2.536533926e+06 1.52 1.695861583e+06 1.695861583e+06 1.54 1.133826256e+06 1.133826256e+06 1.56 7.580745409e+05 7.580745409e+05 1.58 5.068633048e+05 5.068633048e+05 1.60 3.389141016e+05 3.389141016e+05 1.62 2.266301456e+05 2.266301456e+05 1.64 1.515613128e+05 1.515613128e+05 1.66 1.013727389e+05 1.013727389e+05 1.68 6.781789478e+04 6.781789478e+04 1.70 4.538374418e+04 4.538374418e+04 1.72 3.038447114e+04 3.038447114e+04 1.74 2.035591909e+04 2.035591909e+04 1.76 1.365071317e+04 1.365071317e+04 1.78 9.167577931e+03 9.167577931e+03 1.80 6.170145539e+03 6.170145539e+03 1.82 4.165731465e+03 4.165731465e+03 1.84 2.825272899e+03 2.825272899e+03 1.86 1.928837456e+03 1.928837456e+03 1.88 1.329248582e+03 1.329248582e+03 1.90 9.280972635e+02 9.280972635e+02 1.92 6.596035323e+02 6.596035323e+02 1.94 4.798139055e+02 4.798139055e+02 1.96 3.593745856e+02 3.593745856e+02 1.98 2.786848906e+02 2.786848906e+02 2.00 2.246626094e+02 2.246626094e+02 2.02 1.884783321e+02 1.884783321e+02 2.04 1.643595743e+02 1.643595743e+02 2.06 1.481351771e+02 1.481351771e+02 2.08 1.370367549e+02 1.370367549e+02 2.10 1.294494843e+02 1.294494843e+02 2.12 1.248511223e+02 1.248511223e+02 2.14 1.211743321e+02 1.211743321e+02 2.16 1.164408018e+02 1.164408018e+02 2.18 1.035258916e+02 1.035258916e+02 2.20 9.537453598e+01 9.537453598e+01 2.22 8.933773819e+01 8.933773819e+01 2.24 8.565397379e+01 8.565397379e+01 2.26 8.370447998e+01 8.370447998e+01 2.28 8.266150433e+01 8.266150433e+01 2.30 8.169708882e+01 8.169708882e+01 2.32 8.042181827e+01 8.042181827e+01 2.34 5.786243088e+01 5.786243088e+01 2.36 3.690855280e+01 3.690855280e+01 2.38 1.998670380e+01 1.998670380e+01 2.40 8.257353418e+00 8.257353418e+00 2.42 1.206176288e+00 1.206176288e+00 2.44 -2.522834157e+00 -2.522834157e+00 2.46 -4.311422240e+00 -4.311422240e+00 2.48 -5.209079753e+00 -5.209079753e+00 2.50 -5.697889708e+00 -5.697889708e+00 2.52 -6.037952021e+00 -6.037952021e+00 2.54 -6.320626831e+00 -6.320626831e+00 2.56 -6.586269371e+00 -6.586269371e+00 2.58 -6.843800078e+00 -6.843800078e+00 2.60 -7.066258660e+00 -7.066258660e+00 2.62 -7.242681948e+00 -7.242681948e+00 2.64 -7.382024128e+00 -7.382024128e+00 2.66 -7.488635094e+00 -7.488635094e+00 2.68 -7.565904875e+00 -7.565904875e+00 2.70 -7.627783471e+00 -7.627783471e+00 2.72 -7.678866499e+00 -7.678866499e+00 2.74 -7.718042706e+00 -7.718042706e+00 2.76 -7.744067904e+00 -7.744067904e+00 2.78 -7.759975428e+00 -7.759975428e+00 2.80 -7.768211830e+00 -7.768211830e+00 2.82 -7.763720764e+00 -7.763720764e+00 2.84 -7.749857471e+00 -7.749857471e+00 2.86 -7.724760574e+00 -7.724760574e+00 2.88 -7.686824951e+00 -7.686824951e+00 2.90 -7.640232093e+00 -7.640232093e+00 2.92 -7.594120682e+00 -7.594120682e+00 2.94 -7.548580997e+00 -7.548580997e+00 2.96 -7.508172744e+00 -7.508172744e+00 2.98 -7.463545948e+00 -7.463545948e+00 3.00 -7.424478491e+00 -7.424478491e+00 3.02 -7.395093559e+00 -7.395093559e+00 3.04 -7.376721761e+00 -7.376721761e+00 3.06 -7.366726592e+00 -7.366726592e+00 3.08 -7.352727948e+00 -7.352727948e+00 3.10 -7.320470881e+00 -7.320470881e+00 3.12 -7.255764499e+00 -7.255764499e+00 3.14 -7.156208873e+00 -7.156208873e+00 3.16 -7.018094333e+00 -7.018094333e+00 3.18 -6.842937701e+00 -6.842937701e+00 3.20 -6.656113762e+00 -6.656113762e+00 3.22 -6.497031271e+00 -6.497031271e+00 3.24 -6.406123819e+00 -6.406123819e+00 3.26 -6.355724984e+00 -6.355724984e+00 3.28 -6.297671880e+00 -6.297671880e+00 3.30 -6.227254462e+00 -6.227254462e+00 3.32 -6.138448670e+00 -6.138448670e+00 3.34 -6.026189565e+00 -6.026189565e+00 3.36 -5.897628467e+00 -5.897628467e+00 3.38 -5.758616772e+00 -5.758616772e+00 3.40 -5.615763085e+00 -5.615763085e+00 3.42 -5.477364983e+00 -5.477364983e+00 3.44 -5.335342563e+00 -5.335342563e+00 3.46 -5.187939400e+00 -5.187939400e+00 3.48 -5.048661595e+00 -5.048661595e+00 3.50 -4.926438255e+00 -4.926438255e+00 3.52 -4.822147468e+00 -4.822147468e+00 3.54 -4.718745396e+00 -4.718745396e+00 3.56 -4.637102089e+00 -4.637102089e+00 3.58 -4.575614942e+00 -4.575614942e+00 3.60 -4.526595203e+00 -4.526595203e+00 3.62 -4.482044379e+00 -4.482044379e+00 3.64 -4.434287994e+00 -4.434287994e+00 3.66 -4.381580268e+00 -4.381580268e+00 3.68 -4.326445377e+00 -4.326445377e+00 3.70 -4.268829689e+00 -4.268829689e+00 3.72 -4.208686662e+00 -4.208686662e+00 3.74 -4.146172239e+00 -4.146172239e+00 3.76 -4.080076199e+00 -4.080076199e+00 3.78 -4.008113737e+00 -4.008113737e+00 3.80 -3.927725775e+00 -3.927725775e+00 3.82 -3.828211969e+00 -3.828211969e+00 3.84 -3.707061267e+00 -3.707061267e+00 3.86 -3.566738455e+00 -3.566738455e+00 3.88 -3.410479534e+00 -3.410479534e+00 3.90 -3.243218913e+00 -3.243218913e+00 3.92 -3.070946881e+00 -3.070946881e+00 3.94 -2.900201492e+00 -2.900201492e+00 3.96 -2.735217886e+00 -2.735217886e+00 3.98 -2.579174428e+00 -2.579174428e+00 4.00 -2.434547111e+00 -2.434547111e+00 4.02 -2.302811326e+00 -2.302811326e+00 4.04 -2.185638037e+00 -2.185638037e+00 4.06 -2.085113237e+00 -2.085113237e+00 4.08 -2.000814216e+00 -2.000814216e+00 4.10 -1.929645227e+00 -1.929645227e+00 4.12 -1.869795236e+00 -1.869795236e+00 4.14 -1.820801089e+00 -1.820801089e+00 4.16 -1.782046889e+00 -1.782046889e+00 4.18 -1.752934507e+00 -1.752934507e+00 4.20 -1.733284430e+00 -1.733284430e+00 4.22 -1.724932365e+00 -1.724932365e+00 4.24 -1.727782431e+00 -1.727782431e+00 4.26 -1.739701410e+00 -1.739701410e+00 4.28 -1.758264229e+00 -1.758264229e+00 4.30 -1.780836080e+00 -1.780836080e+00 4.32 -1.804635811e+00 -1.804635811e+00 4.34 -1.827140361e+00 -1.827140361e+00 4.36 -1.847933947e+00 -1.847933947e+00 4.38 -1.867428694e+00 -1.867428694e+00 4.40 -1.886027041e+00 -1.886027041e+00 4.42 -1.904123523e+00 -1.904123523e+00 4.44 -1.922111975e+00 -1.922111975e+00 4.46 -1.939977190e+00 -1.939977190e+00 4.48 -1.956969668e+00 -1.956969668e+00 4.50 -1.973082367e+00 -1.973082367e+00 4.52 -1.988422100e+00 -1.988422100e+00 4.54 -2.003091838e+00 -2.003091838e+00 4.56 -2.017196316e+00 -2.017196316e+00 4.58 -2.030863184e+00 -2.030863184e+00 4.60 -2.044148114e+00 -2.044148114e+00 4.62 -2.055998701e+00 -2.055998701e+00 4.64 -2.064441755e+00 -2.064441755e+00 4.66 -2.067499262e+00 -2.067499262e+00 4.68 -2.063236432e+00 -2.063236432e+00 4.70 -2.050209468e+00 -2.050209468e+00 4.72 -2.027554522e+00 -2.027554522e+00 4.74 -1.994871693e+00 -1.994871693e+00 4.76 -1.954390364e+00 -1.954390364e+00 4.78 -1.909387505e+00 -1.909387505e+00 4.80 -1.863154450e+00 -1.863154450e+00 4.82 -1.818518807e+00 -1.818518807e+00 4.84 -1.778003712e+00 -1.778003712e+00 4.86 -1.744335355e+00 -1.744335355e+00 4.88 -1.719104782e+00 -1.719104782e+00 4.90 -1.700489543e+00 -1.700489543e+00 4.92 -1.686075347e+00 -1.686075347e+00 4.94 -1.674343918e+00 -1.674343918e+00 4.96 -1.664280427e+00 -1.664280427e+00 4.98 -1.654893804e+00 -1.654893804e+00 5.00 -1.645276674e+00 -1.645276674e+00 5.02 -1.636121572e+00 -1.636121572e+00 5.04 -1.629326525e+00 -1.629326525e+00 5.06 -1.624169613e+00 -1.624169613e+00 5.08 -1.619103462e+00 -1.619103462e+00 5.10 -1.612600929e+00 -1.612600929e+00 5.12 -1.603289536e+00 -1.603289536e+00 5.14 -1.589854907e+00 -1.589854907e+00 5.16 -1.571038316e+00 -1.571038316e+00 5.18 -1.547450864e+00 -1.547450864e+00 5.20 -1.519993447e+00 -1.519993447e+00 5.22 -1.489519032e+00 -1.489519032e+00 5.24 -1.456832947e+00 -1.456832947e+00 5.26 -1.422710145e+00 -1.422710145e+00 5.28 -1.388581225e+00 -1.388581225e+00 5.30 -1.356481754e+00 -1.356481754e+00 5.32 -1.328539948e+00 -1.328539948e+00 5.34 -1.306302896e+00 -1.306302896e+00 5.36 -1.290104754e+00 -1.290104754e+00 5.38 -1.278463366e+00 -1.278463366e+00 5.40 -1.264204315e+00 -1.264204315e+00 5.42 -1.246413875e+00 -1.246413875e+00 5.44 -1.225510210e+00 -1.225510210e+00 5.46 -1.202021757e+00 -1.202021757e+00 5.48 -1.176501894e+00 -1.176501894e+00 5.50 -1.149548993e+00 -1.149548993e+00 5.52 -1.121810637e+00 -1.121810637e+00 5.54 -1.093966033e+00 -1.093966033e+00 5.56 -1.066215338e+00 -1.066215338e+00 5.58 -1.038181953e+00 -1.038181953e+00 5.60 -1.009319178e+00 -1.009319178e+00 5.62 -9.788842405e-01 -9.788842405e-01 5.64 -9.458833411e-01 -9.458833411e-01 5.66 -9.089707999e-01 -9.089707999e-01 5.68 -8.672115551e-01 -8.672115551e-01 5.70 -8.234410224e-01 -8.234410224e-01 5.72 -7.828904348e-01 -7.828904348e-01 5.74 -7.486267338e-01 -7.486267338e-01 5.76 -7.239551394e-01 -7.239551394e-01 5.78 -7.122168968e-01 -7.122168968e-01 5.80 -7.166567123e-01 -7.166567123e-01 5.82 -7.378424632e-01 -7.378424632e-01 5.84 -7.704867794e-01 -7.704867794e-01 5.86 -8.085918502e-01 -8.085918502e-01 5.88 -8.465230416e-01 -8.465230416e-01 5.90 -8.789548358e-01 -8.789548358e-01 5.92 -9.007036146e-01 -9.007036146e-01 5.94 -9.066560651e-01 -9.066560651e-01 5.96 -8.949074881e-01 -8.949074881e-01 5.98 -8.669849796e-01 -8.669849796e-01 6.00 -8.243806698e-01 -8.243806698e-01