# 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 = NbTa2W # 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 5.213923575e+02 5.213923575e+02 1.08 4.822408525e+02 4.822408525e+02 1.10 4.461771582e+02 4.461771582e+02 1.12 4.128134703e+02 4.128134703e+02 1.14 3.822545232e+02 3.822545232e+02 1.16 3.539110333e+02 3.539110333e+02 1.18 3.272492021e+02 3.272492021e+02 1.20 3.023107772e+02 3.023107772e+02 1.22 2.794183301e+02 2.794183301e+02 1.24 2.581904900e+02 2.581904900e+02 1.26 2.385155015e+02 2.385155015e+02 1.28 2.204943813e+02 2.204943813e+02 1.30 2.039993924e+02 2.039993924e+02 1.32 1.885922342e+02 1.885922342e+02 1.34 1.745371661e+02 1.745371661e+02 1.36 1.615213980e+02 1.615213980e+02 1.38 1.494149687e+02 1.494149687e+02 1.40 1.382129481e+02 1.382129481e+02 1.42 1.276824264e+02 1.276824264e+02 1.44 1.178436379e+02 1.178436379e+02 1.46 1.089878342e+02 1.089878342e+02 1.48 1.012146475e+02 1.012146475e+02 1.50 9.402751809e+01 9.402751809e+01 1.52 8.722045039e+01 8.722045039e+01 1.54 8.068167729e+01 8.068167729e+01 1.56 7.454074874e+01 7.454074874e+01 1.58 6.888552768e+01 6.888552768e+01 1.60 6.372918189e+01 6.372918189e+01 1.62 5.889748432e+01 5.889748432e+01 1.64 5.436353102e+01 5.436353102e+01 1.66 5.020999134e+01 5.020999134e+01 1.68 4.639135153e+01 4.639135153e+01 1.70 4.286308264e+01 4.286308264e+01 1.72 3.951606520e+01 3.951606520e+01 1.74 3.622231845e+01 3.622231845e+01 1.76 3.323582632e+01 3.323582632e+01 1.78 3.049929109e+01 3.049929109e+01 1.80 2.779818506e+01 2.779818506e+01 1.82 2.527611125e+01 2.527611125e+01 1.84 2.295167241e+01 2.295167241e+01 1.86 2.080408643e+01 2.080408643e+01 1.88 1.885664183e+01 1.885664183e+01 1.90 1.707936578e+01 1.707936578e+01 1.92 1.547153211e+01 1.547153211e+01 1.94 1.401342126e+01 1.401342126e+01 1.96 1.266725989e+01 1.266725989e+01 1.98 1.138077097e+01 1.138077097e+01 2.00 1.010757101e+01 1.010757101e+01 2.02 8.895797461e+00 8.895797461e+00 2.04 7.722669239e+00 7.722669239e+00 2.06 6.612112424e+00 6.612112424e+00 2.08 5.600466021e+00 5.600466021e+00 2.10 4.679449519e+00 4.679449519e+00 2.12 3.846761450e+00 3.846761450e+00 2.14 3.066125062e+00 3.066125062e+00 2.16 2.309276341e+00 2.309276341e+00 2.18 1.625634081e+00 1.625634081e+00 2.20 9.384488700e-01 9.384488700e-01 2.22 2.755382519e-01 2.755382519e-01 2.24 -3.133485553e-01 -3.133485553e-01 2.26 -8.526774372e-01 -8.526774372e-01 2.28 -1.349001622e+00 -1.349001622e+00 2.30 -1.816665055e+00 -1.816665055e+00 2.32 -2.236196416e+00 -2.236196416e+00 2.34 -2.588263153e+00 -2.588263153e+00 2.36 -2.904479633e+00 -2.904479633e+00 2.38 -3.445392817e+00 -3.445392817e+00 2.40 -3.967110847e+00 -3.967110847e+00 2.42 -4.495184411e+00 -4.495184411e+00 2.44 -4.970534896e+00 -4.970534896e+00 2.46 -5.385052473e+00 -5.385052473e+00 2.48 -5.738888148e+00 -5.738888148e+00 2.50 -6.053588998e+00 -6.053588998e+00 2.52 -6.332197741e+00 -6.332197741e+00 2.54 -6.584736602e+00 -6.584736602e+00 2.56 -6.820716981e+00 -6.820716981e+00 2.58 -7.039467220e+00 -7.039467220e+00 2.60 -7.235345102e+00 -7.235345102e+00 2.62 -7.400709409e+00 -7.400709409e+00 2.64 -7.528542575e+00 -7.528542575e+00 2.66 -7.647668796e+00 -7.647668796e+00 2.68 -7.758464772e+00 -7.758464772e+00 2.70 -7.860020900e+00 -7.860020900e+00 2.72 -7.951794390e+00 -7.951794390e+00 2.74 -8.026070008e+00 -8.026070008e+00 2.76 -8.077518325e+00 -8.077518325e+00 2.78 -8.112752645e+00 -8.112752645e+00 2.80 -8.135611019e+00 -8.135611019e+00 2.82 -8.155099301e+00 -8.155099301e+00 2.84 -8.171080178e+00 -8.171080178e+00 2.86 -8.178019429e+00 -8.178019429e+00 2.88 -8.172665484e+00 -8.172665484e+00 2.90 -8.153551648e+00 -8.153551648e+00 2.92 -8.122142975e+00 -8.122142975e+00 2.94 -8.079995565e+00 -8.079995565e+00 2.96 -8.027562903e+00 -8.027562903e+00 2.98 -7.965184421e+00 -7.965184421e+00 3.00 -7.894074074e+00 -7.894074074e+00 3.02 -7.815674853e+00 -7.815674853e+00 3.04 -7.732244045e+00 -7.732244045e+00 3.06 -7.645321305e+00 -7.645321305e+00 3.08 -7.559715760e+00 -7.559715760e+00 3.10 -7.479720491e+00 -7.479720491e+00 3.12 -7.409872902e+00 -7.409872902e+00 3.14 -7.336108253e+00 -7.336108253e+00 3.16 -7.270037588e+00 -7.270037588e+00 3.18 -7.209253970e+00 -7.209253970e+00 3.20 -7.157899641e+00 -7.157899641e+00 3.22 -7.106292013e+00 -7.106292013e+00 3.24 -7.044556846e+00 -7.044556846e+00 3.26 -6.973590249e+00 -6.973590249e+00 3.28 -6.894445625e+00 -6.894445625e+00 3.30 -6.804684576e+00 -6.804684576e+00 3.32 -6.699874619e+00 -6.699874619e+00 3.34 -6.584407599e+00 -6.584407599e+00 3.36 -6.461310597e+00 -6.461310597e+00 3.38 -6.340750166e+00 -6.340750166e+00 3.40 -6.234085543e+00 -6.234085543e+00 3.42 -6.135204293e+00 -6.135204293e+00 3.44 -6.036971518e+00 -6.036971518e+00 3.46 -5.933511334e+00 -5.933511334e+00 3.48 -5.834379286e+00 -5.834379286e+00 3.50 -5.740652790e+00 -5.740652790e+00 3.52 -5.657610296e+00 -5.657610296e+00 3.54 -5.590250991e+00 -5.590250991e+00 3.56 -5.542902716e+00 -5.542902716e+00 3.58 -5.512802873e+00 -5.512802873e+00 3.60 -5.490192980e+00 -5.490192980e+00 3.62 -5.465102353e+00 -5.465102353e+00 3.64 -5.427975225e+00 -5.427975225e+00 3.66 -5.375368706e+00 -5.375368706e+00 3.68 -5.311785969e+00 -5.311785969e+00 3.70 -5.242491504e+00 -5.242491504e+00 3.72 -5.172504497e+00 -5.172504497e+00 3.74 -5.104498004e+00 -5.104498004e+00 3.76 -5.036820546e+00 -5.036820546e+00 3.78 -4.966939220e+00 -4.966939220e+00 3.80 -4.891895383e+00 -4.891895383e+00 3.82 -4.803071245e+00 -4.803071245e+00 3.84 -4.693971815e+00 -4.693971815e+00 3.86 -4.564062740e+00 -4.564062740e+00 3.88 -4.421352528e+00 -4.421352528e+00 3.90 -4.287010356e+00 -4.287010356e+00 3.92 -4.136943192e+00 -4.136943192e+00 3.94 -3.933133058e+00 -3.933133058e+00 3.96 -3.728341931e+00 -3.728341931e+00 3.98 -3.558029968e+00 -3.558029968e+00 4.00 -3.401538141e+00 -3.401538141e+00 4.02 -3.247015509e+00 -3.247015509e+00 4.04 -3.103768865e+00 -3.103768865e+00 4.06 -2.978583028e+00 -2.978583028e+00 4.08 -2.870476074e+00 -2.870476074e+00 4.10 -2.773367990e+00 -2.773367990e+00 4.12 -2.684208183e+00 -2.684208183e+00 4.14 -2.602792134e+00 -2.602792134e+00 4.16 -2.530009306e+00 -2.530009306e+00 4.18 -2.467227991e+00 -2.467227991e+00 4.20 -2.415983578e+00 -2.415983578e+00 4.22 -2.377211764e+00 -2.377211764e+00 4.24 -2.349690472e+00 -2.349690472e+00 4.26 -2.330930247e+00 -2.330930247e+00 4.28 -2.318342384e+00 -2.318342384e+00 4.30 -2.309255991e+00 -2.309255991e+00 4.32 -2.300915074e+00 -2.300915074e+00 4.34 -2.290873774e+00 -2.290873774e+00 4.36 -2.279037636e+00 -2.279037636e+00 4.38 -2.266263108e+00 -2.266263108e+00 4.40 -2.253387222e+00 -2.253387222e+00 4.42 -2.241223812e+00 -2.241223812e+00 4.44 -2.230567051e+00 -2.230567051e+00 4.46 -2.221532690e+00 -2.221532690e+00 4.48 -2.213031044e+00 -2.213031044e+00 4.50 -2.204946564e+00 -2.204946564e+00 4.52 -2.197319568e+00 -2.197319568e+00 4.54 -2.190186300e+00 -2.190186300e+00 4.56 -2.183588578e+00 -2.183588578e+00 4.58 -2.177990602e+00 -2.177990602e+00 4.60 -2.174338753e+00 -2.174338753e+00 4.62 -2.172329288e+00 -2.172329288e+00 4.64 -2.170512938e+00 -2.170512938e+00 4.66 -2.167391856e+00 -2.167391856e+00 4.68 -2.161465876e+00 -2.161465876e+00 4.70 -2.151334663e+00 -2.151334663e+00 4.72 -2.135809952e+00 -2.135809952e+00 4.74 -2.114041224e+00 -2.114041224e+00 4.76 -2.087214699e+00 -2.087214699e+00 4.78 -2.057394790e+00 -2.057394790e+00 4.80 -2.026684171e+00 -2.026684171e+00 4.82 -1.996550643e+00 -1.996550643e+00 4.84 -1.967969740e+00 -1.967969740e+00 4.86 -1.941875302e+00 -1.941875302e+00 4.88 -1.918328480e+00 -1.918328480e+00 4.90 -1.895252275e+00 -1.895252275e+00 4.92 -1.870304163e+00 -1.870304163e+00 4.94 -1.842600710e+00 -1.842600710e+00 4.96 -1.812011101e+00 -1.812011101e+00 4.98 -1.778767631e+00 -1.778767631e+00 5.00 -1.743448001e+00 -1.743448001e+00 5.02 -1.708391039e+00 -1.708391039e+00 5.04 -1.676814411e+00 -1.676814411e+00 5.06 -1.648431441e+00 -1.648431441e+00 5.08 -1.621947262e+00 -1.621947262e+00 5.10 -1.596037775e+00 -1.596037775e+00 5.12 -1.569397546e+00 -1.569397546e+00 5.14 -1.540496161e+00 -1.540496161e+00 5.16 -1.507171738e+00 -1.507171738e+00 5.18 -1.469484632e+00 -1.469484632e+00 5.20 -1.428029389e+00 -1.428029389e+00 5.22 -1.383323795e+00 -1.383323795e+00 5.24 -1.335587749e+00 -1.335587749e+00 5.26 -1.284052752e+00 -1.284052752e+00 5.28 -1.227626783e+00 -1.227626783e+00 5.30 -1.168113563e+00 -1.168113563e+00 5.32 -1.108156828e+00 -1.108156828e+00 5.34 -1.051214664e+00 -1.051214664e+00 5.36 -1.001449042e+00 -1.001449042e+00 5.38 -9.603586092e-01 -9.603586092e-01 5.40 -9.202047844e-01 -9.202047844e-01 5.42 -8.796527584e-01 -8.796527584e-01 5.44 -8.377033066e-01 -8.377033066e-01 5.46 -7.942323575e-01 -7.942323575e-01 5.48 -7.501577839e-01 -7.501577839e-01 5.50 -7.072515152e-01 -7.072515152e-01 5.52 -6.678599095e-01 -6.678599095e-01 5.54 -6.344288681e-01 -6.344288681e-01 5.56 -6.077829028e-01 -6.077829028e-01 5.58 -5.870005305e-01 -5.870005305e-01 5.60 -5.705433030e-01 -5.705433030e-01 5.62 -5.565622583e-01 -5.565622583e-01 5.64 -5.430935714e-01 -5.430935714e-01 5.66 -5.281696501e-01 -5.281696501e-01 5.68 -5.104061423e-01 -5.104061423e-01 5.70 -4.911482396e-01 -4.911482396e-01 5.72 -4.726453480e-01 -4.726453480e-01 5.74 -4.571217648e-01 -4.571217648e-01 5.76 -4.467672006e-01 -4.467672006e-01 5.78 -4.437073635e-01 -4.437073635e-01 5.80 -4.499243867e-01 -4.499243867e-01 5.82 -4.655814908e-01 -4.655814908e-01 5.84 -4.872478276e-01 -4.872478276e-01 5.86 -5.112570011e-01 -5.112570011e-01 5.88 -5.342516892e-01 -5.342516892e-01 5.90 -5.531270782e-01 -5.531270782e-01 5.92 -5.648870482e-01 -5.648870482e-01 5.94 -5.665824680e-01 -5.665824680e-01 5.96 -5.572533420e-01 -5.572533420e-01 5.98 -5.379461092e-01 -5.379461092e-01 6.00 -5.094124856e-01 -5.094124856e-01