# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2024--Huang-S-Xiong-Y-Ma-S-et-al--Ni-Al-Co-Ti # implementation = 2024--Huang-S--Ni-Al-Co-Ti--LAMMPS--ipr1 # composition = AlCoTi2 # 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 2025-07-01 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 5.294636983e+02 5.294636983e+02 1.00 4.877117198e+02 4.877117198e+02 1.02 4.481742170e+02 4.481742170e+02 1.04 4.108486299e+02 4.108486299e+02 1.06 3.759545875e+02 3.759545875e+02 1.08 3.435830718e+02 3.435830718e+02 1.10 3.137332841e+02 3.137332841e+02 1.12 2.863406945e+02 2.863406945e+02 1.14 2.612982034e+02 2.612982034e+02 1.16 2.384719735e+02 2.384719735e+02 1.18 2.177131234e+02 2.177131234e+02 1.20 1.988662500e+02 1.988662500e+02 1.22 1.817755167e+02 1.817755167e+02 1.24 1.662888883e+02 1.662888883e+02 1.26 1.522609677e+02 1.522609677e+02 1.28 1.395548483e+02 1.395548483e+02 1.30 1.281178308e+02 1.281178308e+02 1.32 1.181883517e+02 1.181883517e+02 1.34 1.095506326e+02 1.095506326e+02 1.36 1.019612579e+02 1.019612579e+02 1.38 9.522088649e+01 9.522088649e+01 1.40 8.916762178e+01 8.916762178e+01 1.42 8.367108114e+01 8.367108114e+01 1.44 7.862719559e+01 7.862719559e+01 1.46 7.395369718e+01 7.395369718e+01 1.48 6.958622528e+01 6.958622528e+01 1.50 6.547499566e+01 6.547499566e+01 1.52 6.158197527e+01 6.158197527e+01 1.54 5.787849953e+01 5.787849953e+01 1.56 5.434328242e+01 5.434328242e+01 1.58 5.096076752e+01 5.096076752e+01 1.60 4.771977246e+01 4.771977246e+01 1.62 4.461238723e+01 4.461238723e+01 1.64 4.163308718e+01 4.163308718e+01 1.66 3.877802780e+01 3.877802780e+01 1.68 3.604449225e+01 3.604449225e+01 1.70 3.343046538e+01 3.343046538e+01 1.72 3.093431133e+01 3.093431133e+01 1.74 2.855451141e+01 2.855451141e+01 1.76 2.628945513e+01 2.628945513e+01 1.78 2.413733193e+01 2.413733193e+01 1.80 2.209607460e+01 2.209607460e+01 1.82 2.016333454e+01 2.016333454e+01 1.84 1.833648053e+01 1.833648053e+01 1.86 1.661261476e+01 1.661261476e+01 1.88 1.498860076e+01 1.498860076e+01 1.90 1.346109890e+01 1.346109890e+01 1.92 1.202660626e+01 1.202660626e+01 1.94 1.068149821e+01 1.068149821e+01 1.96 9.422069637e+00 9.422069637e+00 1.98 8.244574647e+00 8.244574647e+00 2.00 7.145263361e+00 7.145263361e+00 2.02 6.120413766e+00 6.120413766e+00 2.04 5.166350103e+00 5.166350103e+00 2.06 4.279434073e+00 4.279434073e+00 2.08 3.456069691e+00 3.456069691e+00 2.10 2.692729728e+00 2.692729728e+00 2.12 1.985978893e+00 1.985978893e+00 2.14 1.332492553e+00 1.332492553e+00 2.16 7.290713802e-01 7.290713802e-01 2.18 1.726524134e-01 1.726524134e-01 2.20 -3.396830965e-01 -3.396830965e-01 2.22 -8.107046346e-01 -8.107046346e-01 2.24 -1.243029759e+00 -1.243029759e+00 2.26 -1.639123532e+00 -1.639123532e+00 2.28 -2.001299678e+00 -2.001299678e+00 2.30 -2.331723176e+00 -2.331723176e+00 2.32 -2.632416095e+00 -2.632416095e+00 2.34 -2.905276268e+00 -2.905276268e+00 2.36 -3.152092672e+00 -3.152092672e+00 2.38 -3.374551823e+00 -3.374551823e+00 2.40 -3.574243343e+00 -3.574243343e+00 2.42 -3.752665247e+00 -3.752665247e+00 2.44 -3.911228946e+00 -3.911228946e+00 2.46 -4.051263978e+00 -4.051263978e+00 2.48 -4.174022497e+00 -4.174022497e+00 2.50 -4.280683516e+00 -4.280683516e+00 2.52 -4.372356927e+00 -4.372356927e+00 2.54 -4.450087311e+00 -4.450087311e+00 2.56 -4.514857533e+00 -4.514857533e+00 2.58 -4.567592158e+00 -4.567592158e+00 2.60 -4.609160680e+00 -4.609160680e+00 2.62 -4.640380573e+00 -4.640380573e+00 2.64 -4.662020185e+00 -4.662020185e+00 2.66 -4.674801478e+00 -4.674801478e+00 2.68 -4.679402610e+00 -4.679402610e+00 2.70 -4.676460393e+00 -4.676460393e+00 2.72 -4.666572607e+00 -4.666572607e+00 2.74 -4.650300197e+00 -4.650300197e+00 2.76 -4.628169347e+00 -4.628169347e+00 2.78 -4.600673442e+00 -4.600673442e+00 2.80 -4.568274927e+00 -4.568274927e+00 2.82 -4.531407064e+00 -4.531407064e+00 2.84 -4.490475590e+00 -4.490475590e+00 2.86 -4.445860292e+00 -4.445860292e+00 2.88 -4.397916491e+00 -4.397916491e+00 2.90 -4.346976444e+00 -4.346976444e+00 2.92 -4.293350678e+00 -4.293350678e+00 2.94 -4.237329240e+00 -4.237329240e+00 2.96 -4.179182885e+00 -4.179182885e+00 2.98 -4.119164200e+00 -4.119164200e+00 3.00 -4.057508664e+00 -4.057508664e+00 3.02 -3.994435644e+00 -3.994435644e+00 3.04 -3.930149355e+00 -3.930149355e+00 3.06 -3.864839740e+00 -3.864839740e+00 3.08 -3.798683300e+00 -3.798683300e+00 3.10 -3.731843945e+00 -3.731843945e+00 3.12 -3.664473702e+00 -3.664473702e+00 3.14 -3.596713439e+00 -3.596713439e+00 3.16 -3.528693541e+00 -3.528693541e+00 3.18 -3.460534540e+00 -3.460534540e+00 3.20 -3.392347716e+00 -3.392347716e+00 3.22 -3.324235664e+00 -3.324235664e+00 3.24 -3.256292826e+00 -3.256292826e+00 3.26 -3.188605994e+00 -3.188605994e+00 3.28 -3.121254787e+00 -3.121254787e+00 3.30 -3.054312100e+00 -3.054312100e+00 3.32 -2.987844522e+00 -2.987844522e+00 3.34 -2.921912742e+00 -2.921912742e+00 3.36 -2.856571919e+00 -2.856571919e+00 3.38 -2.791872039e+00 -2.791872039e+00 3.40 -2.727858249e+00 -2.727858249e+00 3.42 -2.664571171e+00 -2.664571171e+00 3.44 -2.602047201e+00 -2.602047201e+00 3.46 -2.540318785e+00 -2.540318785e+00 3.48 -2.479414687e+00 -2.479414687e+00 3.50 -2.419360231e+00 -2.419360231e+00 3.52 -2.360177540e+00 -2.360177540e+00 3.54 -2.301885752e+00 -2.301885752e+00 3.56 -2.244501229e+00 -2.244501229e+00 3.58 -2.188037749e+00 -2.188037749e+00 3.60 -2.132506693e+00 -2.132506693e+00 3.62 -2.077917213e+00 -2.077917213e+00 3.64 -2.024276396e+00 -2.024276396e+00 3.66 -1.971589415e+00 -1.971589415e+00 3.68 -1.919859672e+00 -1.919859672e+00 3.70 -1.869088934e+00 -1.869088934e+00 3.72 -1.819277455e+00 -1.819277455e+00 3.74 -1.770424098e+00 -1.770424098e+00 3.76 -1.722526446e+00 -1.722526446e+00 3.78 -1.675580902e+00 -1.675580902e+00 3.80 -1.629582790e+00 -1.629582790e+00 3.82 -1.584526447e+00 -1.584526447e+00 3.84 -1.540405306e+00 -1.540405306e+00 3.86 -1.497211978e+00 -1.497211978e+00 3.88 -1.454938329e+00 -1.454938329e+00 3.90 -1.413575543e+00 -1.413575543e+00 3.92 -1.373114199e+00 -1.373114199e+00 3.94 -1.333544321e+00 -1.333544321e+00 3.96 -1.294855444e+00 -1.294855444e+00 3.98 -1.257036663e+00 -1.257036663e+00 4.00 -1.220076683e+00 -1.220076683e+00 4.02 -1.183963870e+00 -1.183963870e+00 4.04 -1.148686288e+00 -1.148686288e+00 4.06 -1.114231744e+00 -1.114231744e+00 4.08 -1.080587825e+00 -1.080587825e+00 4.10 -1.047741931e+00 -1.047741931e+00 4.12 -1.015681309e+00 -1.015681309e+00 4.14 -9.843930842e-01 -9.843930842e-01 4.16 -9.538642845e-01 -9.538642845e-01 4.18 -9.240818699e-01 -9.240818699e-01 4.20 -8.950327546e-01 -8.950327546e-01 4.22 -8.667038296e-01 -8.667038296e-01 4.24 -8.390819828e-01 -8.390819828e-01 4.26 -8.119850753e-01 -8.119850753e-01 4.28 -7.817842410e-01 -7.817842410e-01 4.30 -7.346443904e-01 -7.346443904e-01 4.32 -6.474321858e-01 -6.474321858e-01 4.34 -6.003166408e-01 -6.003166408e-01 4.36 -5.780306330e-01 -5.780306330e-01 4.38 -5.563528929e-01 -5.563528929e-01 4.40 -5.352719507e-01 -5.352719507e-01 4.42 -5.147763605e-01 -5.147763605e-01 4.44 -4.948547083e-01 -4.948547083e-01 4.46 -4.754956202e-01 -4.754956202e-01 4.48 -4.566877693e-01 -4.566877693e-01 4.50 -4.384198828e-01 -4.384198828e-01 4.52 -4.206807484e-01 -4.206807484e-01 4.54 -4.034592208e-01 -4.034592208e-01 4.56 -3.867442272e-01 -3.867442272e-01 4.58 -3.705247730e-01 -3.705247730e-01 4.60 -3.547899473e-01 -3.547899473e-01 4.62 -3.395289280e-01 -3.395289280e-01 4.64 -3.247309863e-01 -3.247309863e-01 4.66 -3.103854922e-01 -3.103854922e-01 4.68 -2.964819184e-01 -2.964819184e-01 4.70 -2.830098450e-01 -2.830098450e-01 4.72 -2.699589638e-01 -2.699589638e-01 4.74 -2.573190824e-01 -2.573190824e-01 4.76 -2.450801279e-01 -2.450801279e-01 4.78 -2.332321514e-01 -2.332321514e-01 4.80 -2.217653314e-01 -2.217653314e-01 4.82 -2.106699776e-01 -2.106699776e-01 4.84 -1.999365343e-01 -1.999365343e-01 4.86 -1.895555840e-01 -1.895555840e-01 4.88 -1.795178509e-01 -1.795178509e-01 4.90 -1.698142038e-01 -1.698142038e-01 4.92 -1.606044522e-01 -1.606044522e-01 4.94 -1.540266606e-01 -1.540266606e-01 4.96 -1.511667742e-01 -1.511667742e-01 4.98 -1.205693585e-01 -1.205693585e-01 5.00 -4.391984406e-22 -4.394130885e-22 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 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0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00