# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2015--Purja-Pun-G-P-Yamakov-V-Mishin-Y--Ni-Al-Co # implementation = 2015--Purja-Pun-G-P--Ni-Al-Co--LAMMPS--ipr2 # composition = AlCo2Ni # 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 2022-05-24 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 nan nan 1.08 nan nan 1.10 3.139560345e+04 3.139560345e+04 1.12 2.785707765e+04 2.785707765e+04 1.14 2.463081891e+04 2.463081891e+04 1.16 2.169737832e+04 2.169737832e+04 1.18 1.903378960e+04 1.903378960e+04 1.20 1.661516906e+04 1.661516906e+04 1.22 1.441296276e+04 1.441296276e+04 1.24 1.239865357e+04 1.239865357e+04 1.26 1.054978467e+04 1.054978467e+04 1.28 8.849334710e+03 8.849334710e+03 1.30 7.283086554e+03 7.283086554e+03 1.32 5.840481763e+03 5.840481763e+03 1.34 4.514617083e+03 4.514617083e+03 1.36 3.297700775e+03 3.297700775e+03 1.38 2.277345588e+03 2.277345588e+03 1.40 1.681888266e+03 1.681888266e+03 1.42 1.364844166e+03 1.364844166e+03 1.44 1.193358185e+03 1.193358185e+03 1.46 1.070439492e+03 1.070439492e+03 1.48 9.611410165e+02 9.611410165e+02 1.50 8.630156463e+02 8.630156463e+02 1.52 7.744217665e+02 7.744217665e+02 1.54 6.940141779e+02 6.940141779e+02 1.56 6.207982992e+02 6.207982992e+02 1.58 5.541541780e+02 5.541541780e+02 1.60 4.936493173e+02 4.936493173e+02 1.62 4.388317932e+02 4.388317932e+02 1.64 3.892082525e+02 3.892082525e+02 1.66 3.443123451e+02 3.443123451e+02 1.68 3.037034438e+02 3.037034438e+02 1.70 2.669750635e+02 2.669750635e+02 1.72 2.337692966e+02 2.337692966e+02 1.74 2.037863972e+02 2.037863972e+02 1.76 1.767773786e+02 1.767773786e+02 1.78 1.525029196e+02 1.525029196e+02 1.80 1.307378018e+02 1.307378018e+02 1.82 1.113005099e+02 1.113005099e+02 1.84 9.403478249e+01 9.403478249e+01 1.86 7.878243979e+01 7.878243979e+01 1.88 6.538285738e+01 6.538285738e+01 1.90 5.368125093e+01 5.368125093e+01 1.92 4.353067096e+01 4.353067096e+01 1.94 3.479194746e+01 3.479194746e+01 1.96 2.733321004e+01 2.733321004e+01 1.98 2.102864136e+01 2.102864136e+01 2.00 1.575437839e+01 1.575437839e+01 2.02 1.138390721e+01 1.138390721e+01 2.04 7.793812563e+00 7.793812563e+00 2.06 4.877674602e+00 4.877674602e+00 2.08 2.546203345e+00 2.546203345e+00 2.10 7.163771414e-01 7.163771414e-01 2.12 -6.930568262e-01 -6.930568262e-01 2.14 -1.757757740e+00 -1.757757740e+00 2.16 -2.544820915e+00 -2.544820915e+00 2.18 -3.113475400e+00 -3.113475400e+00 2.20 -3.515625486e+00 -3.515625486e+00 2.22 -3.795903742e+00 -3.795903742e+00 2.24 -3.991662898e+00 -3.991662898e+00 2.26 -4.132425880e+00 -4.132425880e+00 2.28 -4.239273576e+00 -4.239273576e+00 2.30 -4.324706209e+00 -4.324706209e+00 2.32 -4.392853079e+00 -4.392853079e+00 2.34 -4.443090642e+00 -4.443090642e+00 2.36 -4.474936283e+00 -4.474936283e+00 2.38 -4.490049343e+00 -4.490049343e+00 2.40 -4.493774522e+00 -4.493774522e+00 2.42 -4.493809770e+00 -4.493809770e+00 2.44 -4.495249119e+00 -4.495249119e+00 2.46 -4.497662645e+00 -4.497662645e+00 2.48 -4.497439020e+00 -4.497439020e+00 2.50 -4.491471588e+00 -4.491471588e+00 2.52 -4.478751261e+00 -4.478751261e+00 2.54 -4.459580965e+00 -4.459580965e+00 2.56 -4.434327333e+00 -4.434327333e+00 2.58 -4.403263263e+00 -4.403263263e+00 2.60 -4.366602354e+00 -4.366602354e+00 2.62 -4.324536112e+00 -4.324536112e+00 2.64 -4.277273727e+00 -4.277273727e+00 2.66 -4.225128217e+00 -4.225128217e+00 2.68 -4.168609785e+00 -4.168609785e+00 2.70 -4.108414049e+00 -4.108414049e+00 2.72 -4.045282153e+00 -4.045282153e+00 2.74 -3.979822220e+00 -3.979822220e+00 2.76 -3.912420594e+00 -3.912420594e+00 2.78 -3.843293363e+00 -3.843293363e+00 2.80 -3.772596942e+00 -3.772596942e+00 2.82 -3.700527484e+00 -3.700527484e+00 2.84 -3.627387512e+00 -3.627387512e+00 2.86 -3.553598333e+00 -3.553598333e+00 2.88 -3.479637764e+00 -3.479637764e+00 2.90 -3.406008011e+00 -3.406008011e+00 2.92 -3.333205408e+00 -3.333205408e+00 2.94 -3.261661130e+00 -3.261661130e+00 2.96 -3.191682027e+00 -3.191682027e+00 2.98 -3.123389474e+00 -3.123389474e+00 3.00 -3.056667198e+00 -3.056667198e+00 3.02 -2.991130583e+00 -2.991130583e+00 3.04 -2.926130586e+00 -2.926130586e+00 3.06 -2.860808104e+00 -2.860808104e+00 3.08 -2.794267549e+00 -2.794267549e+00 3.10 -2.725910348e+00 -2.725910348e+00 3.12 -2.655952230e+00 -2.655952230e+00 3.14 -2.585911800e+00 -2.585911800e+00 3.16 -2.518522353e+00 -2.518522353e+00 3.18 -2.456685466e+00 -2.456685466e+00 3.20 -2.401973319e+00 -2.401973319e+00 3.22 -2.353916854e+00 -2.353916854e+00 3.24 -2.310600870e+00 -2.310600870e+00 3.26 -2.269781183e+00 -2.269781183e+00 3.28 -2.229683462e+00 -2.229683462e+00 3.30 -2.189315524e+00 -2.189315524e+00 3.32 -2.148303275e+00 -2.148303275e+00 3.34 -2.106366832e+00 -2.106366832e+00 3.36 -2.063196981e+00 -2.063196981e+00 3.38 -2.018473151e+00 -2.018473151e+00 3.40 -1.971953021e+00 -1.971953021e+00 3.42 -1.923759103e+00 -1.923759103e+00 3.44 -1.874856379e+00 -1.874856379e+00 3.46 -1.827137792e+00 -1.827137792e+00 3.48 -1.782460664e+00 -1.782460664e+00 3.50 -1.741536587e+00 -1.741536587e+00 3.52 -1.703957897e+00 -1.703957897e+00 3.54 -1.668978605e+00 -1.668978605e+00 3.56 -1.635958243e+00 -1.635958243e+00 3.58 -1.604389075e+00 -1.604389075e+00 3.60 -1.573937624e+00 -1.573937624e+00 3.62 -1.544636538e+00 -1.544636538e+00 3.64 -1.517200608e+00 -1.517200608e+00 3.66 -1.492950980e+00 -1.492950980e+00 3.68 -1.472650617e+00 -1.472650617e+00 3.70 -1.455778892e+00 -1.455778892e+00 3.72 -1.441326152e+00 -1.441326152e+00 3.74 -1.428478554e+00 -1.428478554e+00 3.76 -1.416709038e+00 -1.416709038e+00 3.78 -1.405690661e+00 -1.405690661e+00 3.80 -1.395214675e+00 -1.395214675e+00 3.82 -1.385142304e+00 -1.385142304e+00 3.84 -1.375378066e+00 -1.375378066e+00 3.86 -1.365854582e+00 -1.365854582e+00 3.88 -1.356526291e+00 -1.356526291e+00 3.90 -1.347363514e+00 -1.347363514e+00 3.92 -1.338346157e+00 -1.338346157e+00 3.94 -1.329461229e+00 -1.329461229e+00 3.96 -1.320699891e+00 -1.320699891e+00 3.98 -1.312054578e+00 -1.312054578e+00 4.00 -1.303517162e+00 -1.303517162e+00 4.02 -1.295087573e+00 -1.295087573e+00 4.04 -1.286765239e+00 -1.286765239e+00 4.06 -1.278551071e+00 -1.278551071e+00 4.08 -1.270447230e+00 -1.270447230e+00 4.10 -1.262453884e+00 -1.262453884e+00 4.12 -1.254565609e+00 -1.254565609e+00 4.14 -1.246776473e+00 -1.246776473e+00 4.16 -1.239080650e+00 -1.239080650e+00 4.18 -1.231472318e+00 -1.231472318e+00 4.20 -1.223945548e+00 -1.223945548e+00 4.22 -1.216494193e+00 -1.216494193e+00 4.24 -1.209111758e+00 -1.209111758e+00 4.26 -1.201791255e+00 -1.201791255e+00 4.28 -1.194524677e+00 -1.194524677e+00 4.30 -1.187301766e+00 -1.187301766e+00 4.32 -1.180110822e+00 -1.180110822e+00 4.34 -1.172938783e+00 -1.172938783e+00 4.36 -1.165772378e+00 -1.165772378e+00 4.38 -1.158597738e+00 -1.158597738e+00 4.40 -1.151398371e+00 -1.151398371e+00 4.42 -1.144154560e+00 -1.144154560e+00 4.44 -1.136842873e+00 -1.136842873e+00 4.46 -1.129435850e+00 -1.129435850e+00 4.48 -1.121902063e+00 -1.121902063e+00 4.50 -1.114206796e+00 -1.114206796e+00 4.52 -1.106313615e+00 -1.106313615e+00 4.54 -1.098187146e+00 -1.098187146e+00 4.56 -1.089797150e+00 -1.089797150e+00 4.58 -1.081123421e+00 -1.081123421e+00 4.60 -1.072160539e+00 -1.072160539e+00 4.62 -1.062920841e+00 -1.062920841e+00 4.64 -1.053433919e+00 -1.053433919e+00 4.66 -1.043741619e+00 -1.043741619e+00 4.68 -1.033889101e+00 -1.033889101e+00 4.70 -1.023914298e+00 -1.023914298e+00 4.72 -1.013839004e+00 -1.013839004e+00 4.74 -1.003664266e+00 -1.003664266e+00 4.76 -9.933709213e-01 -9.933709213e-01 4.78 -9.829242013e-01 -9.829242013e-01 4.80 -9.722802673e-01 -9.722802673e-01 4.82 -9.613926183e-01 -9.613926183e-01 4.84 -9.502171164e-01 -9.502171164e-01 4.86 -9.387152656e-01 -9.387152656e-01 4.88 -9.268560257e-01 -9.268560257e-01 4.90 -9.146166632e-01 -9.146166632e-01 4.92 -9.019831206e-01 -9.019831206e-01 4.94 -8.889484879e-01 -8.889484879e-01 4.96 -8.755092537e-01 -8.755092537e-01 4.98 -8.616646622e-01 -8.616646622e-01 5.00 -8.474169830e-01 -8.474169830e-01 5.02 -8.327715891e-01 -8.327715891e-01 5.04 -8.177367299e-01 -8.177367299e-01 5.06 -8.023234584e-01 -8.023234584e-01 5.08 -7.865452058e-01 -7.865452058e-01 5.10 -7.704172942e-01 -7.704172942e-01 5.12 -7.539561504e-01 -7.539561504e-01 5.14 -7.371785483e-01 -7.371785483e-01 5.16 -7.201012847e-01 -7.201012847e-01 5.18 -7.027408284e-01 -7.027408284e-01 5.20 -6.851130390e-01 -6.851130390e-01 5.22 -6.672341745e-01 -6.672341745e-01 5.24 -6.491221790e-01 -6.491221790e-01 5.26 -6.307977257e-01 -6.307977257e-01 5.28 -6.122839017e-01 -6.122839017e-01 5.30 -5.936068201e-01 -5.936068201e-01 5.32 -5.747946749e-01 -5.747946749e-01 5.34 -5.558809302e-01 -5.558809302e-01 5.36 -5.369025433e-01 -5.369025433e-01 5.38 -5.178999444e-01 -5.178999444e-01 5.40 -4.989187732e-01 -4.989187732e-01 5.42 -4.800067439e-01 -4.800067439e-01 5.44 -4.612100797e-01 -4.612100797e-01 5.46 -4.425762375e-01 -4.425762375e-01 5.48 -4.241525759e-01 -4.241525759e-01 5.50 -4.059836257e-01 -4.059836257e-01 5.52 -3.881061083e-01 -3.881061083e-01 5.54 -3.705530837e-01 -3.705530837e-01 5.56 -3.533585891e-01 -3.533585891e-01 5.58 -3.365528405e-01 -3.365528405e-01 5.60 -3.201558322e-01 -3.201558322e-01 5.62 -3.041826387e-01 -3.041826387e-01 5.64 -2.886637974e-01 -2.886637974e-01 5.66 -2.736412624e-01 -2.736412624e-01 5.68 -2.591378936e-01 -2.591378936e-01 5.70 -2.451603752e-01 -2.451603752e-01 5.72 -2.317360150e-01 -2.317360150e-01 5.74 -2.188659197e-01 -2.188659197e-01 5.76 -2.064436782e-01 -2.064436782e-01 5.78 -1.943303156e-01 -1.943303156e-01 5.80 -1.824424201e-01 -1.824424201e-01 5.82 -1.706861186e-01 -1.706861186e-01 5.84 -1.589589695e-01 -1.589589695e-01 5.86 -1.472036051e-01 -1.472036051e-01 5.88 -1.354909213e-01 -1.354909213e-01 5.90 -1.239064226e-01 -1.239064226e-01 5.92 -1.125051886e-01 -1.125051886e-01 5.94 -1.012686422e-01 -1.012686422e-01 5.96 -9.026617640e-02 -9.026617640e-02 5.98 -7.960089512e-02 -7.960089512e-02 6.00 -6.940576120e-02 -6.940576120e-02