# 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 = MoTi2Zr # 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 9.157350507e+02 9.157350507e+02 1.08 8.266155881e+02 8.266155881e+02 1.10 7.462955341e+02 7.462955341e+02 1.12 6.735061793e+02 6.735061793e+02 1.14 6.076944721e+02 6.076944721e+02 1.16 5.484771420e+02 5.484771420e+02 1.18 4.952694655e+02 4.952694655e+02 1.20 4.477265250e+02 4.477265250e+02 1.22 4.050078226e+02 4.050078226e+02 1.24 3.663641802e+02 3.663641802e+02 1.26 3.314191684e+02 3.314191684e+02 1.28 2.998997698e+02 2.998997698e+02 1.30 2.714948715e+02 2.714948715e+02 1.32 2.456596435e+02 2.456596435e+02 1.34 2.221552320e+02 2.221552320e+02 1.36 2.008518300e+02 2.008518300e+02 1.38 1.817435375e+02 1.817435375e+02 1.40 1.645925208e+02 1.645925208e+02 1.42 1.491134617e+02 1.491134617e+02 1.44 1.351516231e+02 1.351516231e+02 1.46 1.224836479e+02 1.224836479e+02 1.48 1.109397836e+02 1.109397836e+02 1.50 1.004803697e+02 1.004803697e+02 1.52 9.099432245e+01 9.099432245e+01 1.54 8.239791967e+01 8.239791967e+01 1.56 7.464245973e+01 7.464245973e+01 1.58 6.770030987e+01 6.770030987e+01 1.60 6.146075553e+01 6.146075553e+01 1.62 5.580446755e+01 5.580446755e+01 1.64 5.064619261e+01 5.064619261e+01 1.66 4.597369590e+01 4.597369590e+01 1.68 4.174298580e+01 4.174298580e+01 1.70 3.786877464e+01 3.786877464e+01 1.72 3.432537461e+01 3.432537461e+01 1.74 3.112601298e+01 3.112601298e+01 1.76 2.827975466e+01 2.827975466e+01 1.78 2.572403844e+01 2.572403844e+01 1.80 2.342478445e+01 2.342478445e+01 1.82 2.132301777e+01 2.132301777e+01 1.84 1.940904320e+01 1.940904320e+01 1.86 1.764914295e+01 1.764914295e+01 1.88 1.603407278e+01 1.603407278e+01 1.90 1.456561499e+01 1.456561499e+01 1.92 1.320483393e+01 1.320483393e+01 1.94 1.190639072e+01 1.190639072e+01 1.96 1.066177779e+01 1.066177779e+01 1.98 9.508588814e+00 9.508588814e+00 2.00 8.476313514e+00 8.476313514e+00 2.02 7.571214442e+00 7.571214442e+00 2.04 6.769389933e+00 6.769389933e+00 2.06 5.998564351e+00 5.998564351e+00 2.08 5.128360119e+00 5.128360119e+00 2.10 4.288030768e+00 4.288030768e+00 2.12 3.526984350e+00 3.526984350e+00 2.14 2.779634122e+00 2.779634122e+00 2.16 2.097362127e+00 2.097362127e+00 2.18 1.485494042e+00 1.485494042e+00 2.20 6.665552094e-01 6.665552094e-01 2.22 -5.212571929e-02 -5.212571929e-02 2.24 -6.259121357e-01 -6.259121357e-01 2.26 -1.109741109e+00 -1.109741109e+00 2.28 -1.454850328e+00 -1.454850328e+00 2.30 -1.730315250e+00 -1.730315250e+00 2.32 -1.989927053e+00 -1.989927053e+00 2.34 -2.256537323e+00 -2.256537323e+00 2.36 -2.534323733e+00 -2.534323733e+00 2.38 -2.813831611e+00 -2.813831611e+00 2.40 -3.085348751e+00 -3.085348751e+00 2.42 -3.348000127e+00 -3.348000127e+00 2.44 -3.601226005e+00 -3.601226005e+00 2.46 -3.834557535e+00 -3.834557535e+00 2.48 -4.042033268e+00 -4.042033268e+00 2.50 -4.224759072e+00 -4.224759072e+00 2.52 -4.390345876e+00 -4.390345876e+00 2.54 -4.542417705e+00 -4.542417705e+00 2.56 -4.682842826e+00 -4.682842826e+00 2.58 -4.813629671e+00 -4.813629671e+00 2.60 -4.938952132e+00 -4.938952132e+00 2.62 -5.066050202e+00 -5.066050202e+00 2.64 -5.192720218e+00 -5.192720218e+00 2.66 -5.305638345e+00 -5.305638345e+00 2.68 -5.403295989e+00 -5.403295989e+00 2.70 -5.486743645e+00 -5.486743645e+00 2.72 -5.556252412e+00 -5.556252412e+00 2.74 -5.610819026e+00 -5.610819026e+00 2.76 -5.651653412e+00 -5.651653412e+00 2.78 -5.682155664e+00 -5.682155664e+00 2.80 -5.702802243e+00 -5.702802243e+00 2.82 -5.708999092e+00 -5.708999092e+00 2.84 -5.695510614e+00 -5.695510614e+00 2.86 -5.667118028e+00 -5.667118028e+00 2.88 -5.635509161e+00 -5.635509161e+00 2.90 -5.610537236e+00 -5.610537236e+00 2.92 -5.593681473e+00 -5.593681473e+00 2.94 -5.580362836e+00 -5.580362836e+00 2.96 -5.564425433e+00 -5.564425433e+00 2.98 -5.541664448e+00 -5.541664448e+00 3.00 -5.514994485e+00 -5.514994485e+00 3.02 -5.486843343e+00 -5.486843343e+00 3.04 -5.455879820e+00 -5.455879820e+00 3.06 -5.422228574e+00 -5.422228574e+00 3.08 -5.388356535e+00 -5.388356535e+00 3.10 -5.343496702e+00 -5.343496702e+00 3.12 -5.285605325e+00 -5.285605325e+00 3.14 -5.221245373e+00 -5.221245373e+00 3.16 -5.150134320e+00 -5.150134320e+00 3.18 -5.066461934e+00 -5.066461934e+00 3.20 -4.978309573e+00 -4.978309573e+00 3.22 -4.903396908e+00 -4.903396908e+00 3.24 -4.857662904e+00 -4.857662904e+00 3.26 -4.825967491e+00 -4.825967491e+00 3.28 -4.792556906e+00 -4.792556906e+00 3.30 -4.751135131e+00 -4.751135131e+00 3.32 -4.692942810e+00 -4.692942810e+00 3.34 -4.616301340e+00 -4.616301340e+00 3.36 -4.531880127e+00 -4.531880127e+00 3.38 -4.445896324e+00 -4.445896324e+00 3.40 -4.346479057e+00 -4.346479057e+00 3.42 -4.221116440e+00 -4.221116440e+00 3.44 -4.062505112e+00 -4.062505112e+00 3.46 -3.874030923e+00 -3.874030923e+00 3.48 -3.673464622e+00 -3.673464622e+00 3.50 -3.471153124e+00 -3.471153124e+00 3.52 -3.267887455e+00 -3.267887455e+00 3.54 -3.072842966e+00 -3.072842966e+00 3.56 -2.906277576e+00 -2.906277576e+00 3.58 -2.774841358e+00 -2.774841358e+00 3.60 -2.661850988e+00 -2.661850988e+00 3.62 -2.555879589e+00 -2.555879589e+00 3.64 -2.459478313e+00 -2.459478313e+00 3.66 -2.376440010e+00 -2.376440010e+00 3.68 -2.304307233e+00 -2.304307233e+00 3.70 -2.238083509e+00 -2.238083509e+00 3.72 -2.172533531e+00 -2.172533531e+00 3.74 -2.108133340e+00 -2.108133340e+00 3.76 -2.053155954e+00 -2.053155954e+00 3.78 -2.015748928e+00 -2.015748928e+00 3.80 -2.002501046e+00 -2.002501046e+00 3.82 -2.000303712e+00 -2.000303712e+00 3.84 -2.000773088e+00 -2.000773088e+00 3.86 -2.002364341e+00 -2.002364341e+00 3.88 -2.003337346e+00 -2.003337346e+00 3.90 -2.001411263e+00 -2.001411263e+00 3.92 -1.994197102e+00 -1.994197102e+00 3.94 -1.980273071e+00 -1.980273071e+00 3.96 -1.960305809e+00 -1.960305809e+00 3.98 -1.935261174e+00 -1.935261174e+00 4.00 -1.906492184e+00 -1.906492184e+00 4.02 -1.875877924e+00 -1.875877924e+00 4.04 -1.845528228e+00 -1.845528228e+00 4.06 -1.817560899e+00 -1.817560899e+00 4.08 -1.793031201e+00 -1.793031201e+00 4.10 -1.771867166e+00 -1.771867166e+00 4.12 -1.753409385e+00 -1.753409385e+00 4.14 -1.736545606e+00 -1.736545606e+00 4.16 -1.720121455e+00 -1.720121455e+00 4.18 -1.702961584e+00 -1.702961584e+00 4.20 -1.683972859e+00 -1.683972859e+00 4.22 -1.662862030e+00 -1.662862030e+00 4.24 -1.639944500e+00 -1.639944500e+00 4.26 -1.615728781e+00 -1.615728781e+00 4.28 -1.590735449e+00 -1.590735449e+00 4.30 -1.565497124e+00 -1.565497124e+00 4.32 -1.540566093e+00 -1.540566093e+00 4.34 -1.516417394e+00 -1.516417394e+00 4.36 -1.493042273e+00 -1.493042273e+00 4.38 -1.470234825e+00 -1.470234825e+00 4.40 -1.447822110e+00 -1.447822110e+00 4.42 -1.425665192e+00 -1.425665192e+00 4.44 -1.403651555e+00 -1.403651555e+00 4.46 -1.381720198e+00 -1.381720198e+00 4.48 -1.359920636e+00 -1.359920636e+00 4.50 -1.338167836e+00 -1.338167836e+00 4.52 -1.316311426e+00 -1.316311426e+00 4.54 -1.294153112e+00 -1.294153112e+00 4.56 -1.271443322e+00 -1.271443322e+00 4.58 -1.247673569e+00 -1.247673569e+00 4.60 -1.221885450e+00 -1.221885450e+00 4.62 -1.193636752e+00 -1.193636752e+00 4.64 -1.162942085e+00 -1.162942085e+00 4.66 -1.129875161e+00 -1.129875161e+00 4.68 -1.094590696e+00 -1.094590696e+00 4.70 -1.057675007e+00 -1.057675007e+00 4.72 -1.020249273e+00 -1.020249273e+00 4.74 -9.834486445e-01 -9.834486445e-01 4.76 -9.477971943e-01 -9.477971943e-01 4.78 -9.136284504e-01 -9.136284504e-01 4.80 -8.812281259e-01 -8.812281259e-01 4.82 -8.506542148e-01 -8.506542148e-01 4.84 -8.217189239e-01 -8.217189239e-01 4.86 -7.941867598e-01 -7.941867598e-01 4.88 -7.678179245e-01 -7.678179245e-01 4.90 -7.423970960e-01 -7.423970960e-01 4.92 -7.176761510e-01 -7.176761510e-01 4.94 -6.934196306e-01 -6.934196306e-01 4.96 -6.694619394e-01 -6.694619394e-01 4.98 -6.456363389e-01 -6.456363389e-01 5.00 -6.217817400e-01 -6.217817400e-01 5.02 -5.979021003e-01 -5.979021003e-01 5.04 -5.742698623e-01 -5.742698623e-01 5.06 -5.514413629e-01 -5.514413629e-01 5.08 -5.300055453e-01 -5.300055453e-01 5.10 -5.105520076e-01 -5.105520076e-01 5.12 -4.936743504e-01 -4.936743504e-01 5.14 -4.799488285e-01 -4.799488285e-01 5.16 -4.693157309e-01 -4.693157309e-01 5.18 -4.607441513e-01 -4.607441513e-01 5.20 -4.531111566e-01 -4.531111566e-01 5.22 -4.452894212e-01 -4.452894212e-01 5.24 -4.361459685e-01 -4.361459685e-01 5.26 -4.245868518e-01 -4.245868518e-01 5.28 -4.108246489e-01 -4.108246489e-01 5.30 -3.962712730e-01 -3.962712730e-01 5.32 -3.823749511e-01 -3.823749511e-01 5.34 -3.706252174e-01 -3.706252174e-01 5.36 -3.625554479e-01 -3.625554479e-01 5.38 -3.579897418e-01 -3.579897418e-01 5.40 -3.517253305e-01 -3.517253305e-01 5.42 -3.432314694e-01 -3.432314694e-01 5.44 -3.329355335e-01 -3.329355335e-01 5.46 -3.213022520e-01 -3.213022520e-01 5.48 -3.087954587e-01 -3.087954587e-01 5.50 -2.958788281e-01 -2.958788281e-01 5.52 -2.830163735e-01 -2.830163735e-01 5.54 -2.706558859e-01 -2.706558859e-01 5.56 -2.590522435e-01 -2.590522435e-01 5.58 -2.483407318e-01 -2.483407318e-01 5.60 -2.386568423e-01 -2.386568423e-01 5.62 -2.301429696e-01 -2.301429696e-01 5.64 -2.229485433e-01 -2.229485433e-01 5.66 -2.171923734e-01 -2.171923734e-01 5.68 -2.128545405e-01 -2.128545405e-01 5.70 -2.096145586e-01 -2.096145586e-01 5.72 -2.071605886e-01 -2.071605886e-01 5.74 -2.051738260e-01 -2.051738260e-01 5.76 -2.032816262e-01 -2.032816262e-01 5.78 -2.010269986e-01 -2.010269986e-01 5.80 -1.978633988e-01 -1.978633988e-01 5.82 -1.934691748e-01 -1.934691748e-01 5.84 -1.880836462e-01 -1.880836462e-01 5.86 -1.820658139e-01 -1.820658139e-01 5.88 -1.758667828e-01 -1.758667828e-01 5.90 -1.700473687e-01 -1.700473687e-01 5.92 -1.652659805e-01 -1.652659805e-01 5.94 -1.621853977e-01 -1.621853977e-01 5.96 -1.605641437e-01 -1.605641437e-01 5.98 -1.591489095e-01 -1.591489095e-01 6.00 -1.564632233e-01 -1.564632233e-01