# 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 = MoTiZr2 # 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 7.078978452e+02 7.078978452e+02 1.08 6.432721143e+02 6.432721143e+02 1.10 5.851406223e+02 5.851406223e+02 1.12 5.322894255e+02 5.322894255e+02 1.14 4.841376185e+02 4.841376185e+02 1.16 4.403941566e+02 4.403941566e+02 1.18 4.005151261e+02 4.005151261e+02 1.20 3.647858460e+02 3.647858460e+02 1.22 3.325458398e+02 3.325458398e+02 1.24 3.032329652e+02 3.032329652e+02 1.26 2.766185528e+02 2.766185528e+02 1.28 2.526390206e+02 2.526390206e+02 1.30 2.311529372e+02 2.311529372e+02 1.32 2.116287606e+02 2.116287606e+02 1.34 1.937933629e+02 1.937933629e+02 1.36 1.774198906e+02 1.774198906e+02 1.38 1.624696419e+02 1.624696419e+02 1.40 1.488614851e+02 1.488614851e+02 1.42 1.364321033e+02 1.364321033e+02 1.44 1.250900165e+02 1.250900165e+02 1.46 1.146969139e+02 1.146969139e+02 1.48 1.050495201e+02 1.050495201e+02 1.50 9.613705882e+01 9.613705882e+01 1.52 8.801934082e+01 8.801934082e+01 1.54 8.061262015e+01 8.061262015e+01 1.56 7.387752751e+01 7.387752751e+01 1.58 6.779429279e+01 6.779429279e+01 1.60 6.225436339e+01 6.225436339e+01 1.62 5.712368693e+01 5.712368693e+01 1.64 5.237889759e+01 5.237889759e+01 1.66 4.803222029e+01 4.803222029e+01 1.68 4.403374525e+01 4.403374525e+01 1.70 4.035458124e+01 4.035458124e+01 1.72 3.702065837e+01 3.702065837e+01 1.74 3.404836599e+01 3.404836599e+01 1.76 3.139267584e+01 3.139267584e+01 1.78 2.894748447e+01 2.894748447e+01 1.80 2.663116203e+01 2.663116203e+01 1.82 2.445767579e+01 2.445767579e+01 1.84 2.246238350e+01 2.246238350e+01 1.86 2.056373938e+01 2.056373938e+01 1.88 1.882608582e+01 1.882608582e+01 1.90 1.727257424e+01 1.727257424e+01 1.92 1.588638122e+01 1.588638122e+01 1.94 1.466494811e+01 1.466494811e+01 1.96 1.356015294e+01 1.356015294e+01 1.98 1.254994286e+01 1.254994286e+01 2.00 1.161343665e+01 1.161343665e+01 2.02 1.073249233e+01 1.073249233e+01 2.04 9.892985418e+00 9.892985418e+00 2.06 9.082981284e+00 9.082981284e+00 2.08 8.309494408e+00 8.309494408e+00 2.10 7.587694858e+00 7.587694858e+00 2.12 6.916418186e+00 6.916418186e+00 2.14 6.262784992e+00 6.262784992e+00 2.16 5.601486001e+00 5.601486001e+00 2.18 4.756511586e+00 4.756511586e+00 2.20 3.858916128e+00 3.858916128e+00 2.22 2.860328133e+00 2.860328133e+00 2.24 1.958507470e+00 1.958507470e+00 2.26 1.125054589e+00 1.125054589e+00 2.28 4.349989091e-01 4.349989091e-01 2.30 -1.610518453e-01 -1.610518453e-01 2.32 -6.940808996e-01 -6.940808996e-01 2.34 -1.176529557e+00 -1.176529557e+00 2.36 -1.598306310e+00 -1.598306310e+00 2.38 -1.997774336e+00 -1.997774336e+00 2.40 -2.373666408e+00 -2.373666408e+00 2.42 -2.746879944e+00 -2.746879944e+00 2.44 -3.113658384e+00 -3.113658384e+00 2.46 -3.449089683e+00 -3.449089683e+00 2.48 -3.740445074e+00 -3.740445074e+00 2.50 -3.997693039e+00 -3.997693039e+00 2.52 -4.221739759e+00 -4.221739759e+00 2.54 -4.419548217e+00 -4.419548217e+00 2.56 -4.595722339e+00 -4.595722339e+00 2.58 -4.757632149e+00 -4.757632149e+00 2.60 -4.914309718e+00 -4.914309718e+00 2.62 -5.073158205e+00 -5.073158205e+00 2.64 -5.234762367e+00 -5.234762367e+00 2.66 -5.391754135e+00 -5.391754135e+00 2.68 -5.538607215e+00 -5.538607215e+00 2.70 -5.659994472e+00 -5.659994472e+00 2.72 -5.755254220e+00 -5.755254220e+00 2.74 -5.833155137e+00 -5.833155137e+00 2.76 -5.900625327e+00 -5.900625327e+00 2.78 -5.960038994e+00 -5.960038994e+00 2.80 -6.011743920e+00 -6.011743920e+00 2.82 -6.056048332e+00 -6.056048332e+00 2.84 -6.092784298e+00 -6.092784298e+00 2.86 -6.122716553e+00 -6.122716553e+00 2.88 -6.148201287e+00 -6.148201287e+00 2.90 -6.171953020e+00 -6.171953020e+00 2.92 -6.194396723e+00 -6.194396723e+00 2.94 -6.212647488e+00 -6.212647488e+00 2.96 -6.220038630e+00 -6.220038630e+00 2.98 -6.209840906e+00 -6.209840906e+00 3.00 -6.181148760e+00 -6.181148760e+00 3.02 -6.132643893e+00 -6.132643893e+00 3.04 -6.063745563e+00 -6.063745563e+00 3.06 -5.977610734e+00 -5.977610734e+00 3.08 -5.882925500e+00 -5.882925500e+00 3.10 -5.790546931e+00 -5.790546931e+00 3.12 -5.701539133e+00 -5.701539133e+00 3.14 -5.613877319e+00 -5.613877319e+00 3.16 -5.527694751e+00 -5.527694751e+00 3.18 -5.439796476e+00 -5.439796476e+00 3.20 -5.357004459e+00 -5.357004459e+00 3.22 -5.294264958e+00 -5.294264958e+00 3.24 -5.258129415e+00 -5.258129415e+00 3.26 -5.232318269e+00 -5.232318269e+00 3.28 -5.207257898e+00 -5.207257898e+00 3.30 -5.180997085e+00 -5.180997085e+00 3.32 -5.149940238e+00 -5.149940238e+00 3.34 -5.109480755e+00 -5.109480755e+00 3.36 -5.052601557e+00 -5.052601557e+00 3.38 -4.975233546e+00 -4.975233546e+00 3.40 -4.884636583e+00 -4.884636583e+00 3.42 -4.796775992e+00 -4.796775992e+00 3.44 -4.716954301e+00 -4.716954301e+00 3.46 -4.632951054e+00 -4.632951054e+00 3.48 -4.531550334e+00 -4.531550334e+00 3.50 -4.402988379e+00 -4.402988379e+00 3.52 -4.242913873e+00 -4.242913873e+00 3.54 -4.065520848e+00 -4.065520848e+00 3.56 -3.887133878e+00 -3.887133878e+00 3.58 -3.715988651e+00 -3.715988651e+00 3.60 -3.551120371e+00 -3.551120371e+00 3.62 -3.392436102e+00 -3.392436102e+00 3.64 -3.245416861e+00 -3.245416861e+00 3.66 -3.116480160e+00 -3.116480160e+00 3.68 -3.003023506e+00 -3.003023506e+00 3.70 -2.899617478e+00 -2.899617478e+00 3.72 -2.801248427e+00 -2.801248427e+00 3.74 -2.706230400e+00 -2.706230400e+00 3.76 -2.619066543e+00 -2.619066543e+00 3.78 -2.544614878e+00 -2.544614878e+00 3.80 -2.488074685e+00 -2.488074685e+00 3.82 -2.437833869e+00 -2.437833869e+00 3.84 -2.387053137e+00 -2.387053137e+00 3.86 -2.335509139e+00 -2.335509139e+00 3.88 -2.283360927e+00 -2.283360927e+00 3.90 -2.230364649e+00 -2.230364649e+00 3.92 -2.176130642e+00 -2.176130642e+00 3.94 -2.120408057e+00 -2.120408057e+00 3.96 -2.063353360e+00 -2.063353360e+00 3.98 -2.005185141e+00 -2.005185141e+00 4.00 -1.946715800e+00 -1.946715800e+00 4.02 -1.889430512e+00 -1.889430512e+00 4.04 -1.834704185e+00 -1.834704185e+00 4.06 -1.783747654e+00 -1.783747654e+00 4.08 -1.737188222e+00 -1.737188222e+00 4.10 -1.695113637e+00 -1.695113637e+00 4.12 -1.657118683e+00 -1.657118683e+00 4.14 -1.622413048e+00 -1.622413048e+00 4.16 -1.590240961e+00 -1.590240961e+00 4.18 -1.559876444e+00 -1.559876444e+00 4.20 -1.530621737e+00 -1.530621737e+00 4.22 -1.502151177e+00 -1.502151177e+00 4.24 -1.474383596e+00 -1.474383596e+00 4.26 -1.447213232e+00 -1.447213232e+00 4.28 -1.420509487e+00 -1.420509487e+00 4.30 -1.394129365e+00 -1.394129365e+00 4.32 -1.367925380e+00 -1.367925380e+00 4.34 -1.341781432e+00 -1.341781432e+00 4.36 -1.315785833e+00 -1.315785833e+00 4.38 -1.290113676e+00 -1.290113676e+00 4.40 -1.264940803e+00 -1.264940803e+00 4.42 -1.240415574e+00 -1.240415574e+00 4.44 -1.216686912e+00 -1.216686912e+00 4.46 -1.193971535e+00 -1.193971535e+00 4.48 -1.172333181e+00 -1.172333181e+00 4.50 -1.151525650e+00 -1.151525650e+00 4.52 -1.131269141e+00 -1.131269141e+00 4.54 -1.111266823e+00 -1.111266823e+00 4.56 -1.091195435e+00 -1.091195435e+00 4.58 -1.070497927e+00 -1.070497927e+00 4.60 -1.048357393e+00 -1.048357393e+00 4.62 -1.024513546e+00 -1.024513546e+00 4.64 -9.990831353e-01 -9.990831353e-01 4.66 -9.722157261e-01 -9.722157261e-01 4.68 -9.441017018e-01 -9.441017018e-01 4.70 -9.153492933e-01 -9.153492933e-01 4.72 -8.869769173e-01 -8.869769173e-01 4.74 -8.599128854e-01 -8.599128854e-01 4.76 -8.344299247e-01 -8.344299247e-01 4.78 -8.106022827e-01 -8.106022827e-01 4.80 -7.884742418e-01 -7.884742418e-01 4.82 -7.678623482e-01 -7.678623482e-01 4.84 -7.484580358e-01 -7.484580358e-01 4.86 -7.299642792e-01 -7.299642792e-01 4.88 -7.122163717e-01 -7.122163717e-01 4.90 -6.954221763e-01 -6.954221763e-01 4.92 -6.798328136e-01 -6.798328136e-01 4.94 -6.654889063e-01 -6.654889063e-01 4.96 -6.523412761e-01 -6.523412761e-01 4.98 -6.403289136e-01 -6.403289136e-01 5.00 -6.293868698e-01 -6.293868698e-01 5.02 -6.192950426e-01 -6.192950426e-01 5.04 -6.095988238e-01 -6.095988238e-01 5.06 -6.001389060e-01 -6.001389060e-01 5.08 -5.908166569e-01 -5.908166569e-01 5.10 -5.815510609e-01 -5.815510609e-01 5.12 -5.722942237e-01 -5.722942237e-01 5.14 -5.630692562e-01 -5.630692562e-01 5.16 -5.538886990e-01 -5.538886990e-01 5.18 -5.442358850e-01 -5.442358850e-01 5.20 -5.334737431e-01 -5.334737431e-01 5.22 -5.209150650e-01 -5.209150650e-01 5.24 -5.058378819e-01 -5.058378819e-01 5.26 -4.875349879e-01 -4.875349879e-01 5.28 -4.667181756e-01 -4.667181756e-01 5.30 -4.454464186e-01 -4.454464186e-01 5.32 -4.258754701e-01 -4.258754701e-01 5.34 -4.102416731e-01 -4.102416731e-01 5.36 -4.007872147e-01 -4.007872147e-01 5.38 -3.976098667e-01 -3.976098667e-01 5.40 -3.941329435e-01 -3.941329435e-01 5.42 -3.894891931e-01 -3.894891931e-01 5.44 -3.838394973e-01 -3.838394973e-01 5.46 -3.773883326e-01 -3.773883326e-01 5.48 -3.703398182e-01 -3.703398182e-01 5.50 -3.628978967e-01 -3.628978967e-01 5.52 -3.552667439e-01 -3.552667439e-01 5.54 -3.476525272e-01 -3.476525272e-01 5.56 -3.401775864e-01 -3.401775864e-01 5.58 -3.328180617e-01 -3.328180617e-01 5.60 -3.255410594e-01 -3.255410594e-01 5.62 -3.183160397e-01 -3.183160397e-01 5.64 -3.111134232e-01 -3.111134232e-01 5.66 -3.039040102e-01 -3.039040102e-01 5.68 -2.966032966e-01 -2.966032966e-01 5.70 -2.890058565e-01 -2.890058565e-01 5.72 -2.809366506e-01 -2.809366506e-01 5.74 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