# 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--ipr1 # composition = CoNi3 # 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 A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 9.138887593e+03 nan nan 1.02 8.058558444e+03 nan nan 1.04 7.057726644e+03 nan nan 1.06 6.125933102e+03 nan nan 1.08 5.255829436e+03 nan nan 1.10 4.442219016e+03 8.690549477e+03 nan 1.12 3.681843947e+03 7.715133041e+03 9.200252200e+03 1.14 2.972302411e+03 6.805494325e+03 8.203691456e+03 1.16 2.310399857e+03 5.955550916e+03 7.274844994e+03 1.18 1.700867502e+03 5.160189394e+03 6.407560199e+03 1.20 1.324658524e+03 4.415049609e+03 5.596378242e+03 1.22 1.148182932e+03 3.715732983e+03 4.838026263e+03 1.24 1.056263879e+03 3.060425194e+03 4.128735760e+03 1.26 9.761389504e+02 2.446288256e+03 3.467496521e+03 1.28 8.944993388e+02 1.872165378e+03 2.851640710e+03 1.30 8.136601303e+02 1.433269791e+03 2.279440999e+03 1.32 7.353551609e+02 1.204043212e+03 1.749402553e+03 1.34 6.608354929e+02 1.085886768e+03 1.379078058e+03 1.36 5.909831116e+02 1.008143424e+03 1.179710777e+03 1.38 5.263364253e+02 9.328214917e+02 1.070967089e+03 1.40 4.671055469e+02 8.574209170e+02 9.969864495e+02 1.42 4.131674415e+02 7.836357834e+02 9.257105224e+02 1.44 3.642444654e+02 7.126706696e+02 8.541435871e+02 1.46 3.200015534e+02 6.453196996e+02 7.838378243e+02 1.48 2.800450398e+02 5.819952882e+02 7.158511571e+02 1.50 2.440511681e+02 5.230251274e+02 6.509447547e+02 1.52 2.117408488e+02 4.686063818e+02 5.896844355e+02 1.54 1.828268403e+02 4.187344240e+02 5.324536828e+02 1.56 1.569961131e+02 3.731778523e+02 4.794258478e+02 1.58 1.339648603e+02 3.316727747e+02 4.305439291e+02 1.60 1.135117758e+02 2.939328952e+02 3.855729512e+02 1.62 9.545204184e+01 2.596844333e+02 3.443173195e+02 1.64 7.960557897e+01 2.286911482e+02 3.065767716e+02 1.66 6.577979566e+01 2.007370514e+02 2.721336513e+02 1.68 5.377381735e+01 1.756038548e+02 2.407379478e+02 1.70 4.340889180e+01 1.530766458e+02 2.121276959e+02 1.72 3.454026446e+01 1.329511413e+02 1.860956011e+02 1.74 2.703069150e+01 1.150260138e+02 1.624914847e+02 1.76 2.074094637e+01 9.908609819e+01 1.411694033e+02 1.78 1.553217215e+01 8.491512265e+01 1.219794583e+02 1.80 1.126301907e+01 7.232932532e+01 1.047742529e+02 1.82 7.787731119e+00 6.119508540e+01 8.941334574e+01 1.84 4.979329666e+00 5.140107477e+01 7.575107429e+01 1.86 2.742097380e+00 4.282704988e+01 6.365509955e+01 1.88 9.933068726e-01 3.535373450e+01 5.300779252e+01 1.90 -3.479192943e-01 2.886740825e+01 4.369812410e+01 1.92 -1.359519922e+00 2.326424802e+01 3.561587781e+01 1.94 -2.109367223e+00 1.844970366e+01 2.865003694e+01 1.96 -2.656968797e+00 1.433865162e+01 2.269613304e+01 1.98 -3.055474380e+00 1.085464221e+01 1.765371918e+01 2.00 -3.352544519e+00 7.925146322e+00 1.342232031e+01 2.02 -3.586024384e+00 5.476288818e+00 9.896365386e+00 2.04 -3.779326409e+00 3.435744527e+00 6.973022660e+00 2.06 -3.943659563e+00 1.745880890e+00 4.567173532e+00 2.08 -4.082668010e+00 3.644570138e-01 2.612711451e+00 2.10 -4.197800323e+00 -7.465732943e-01 1.049836438e+00 2.12 -4.290229695e+00 -1.625921976e+00 -1.800509998e-01 2.14 -4.360317088e+00 -2.312819033e+00 -1.134685715e+00 2.16 -4.407639965e+00 -2.842282880e+00 -1.864815894e+00 2.18 -4.431058082e+00 -3.245512232e+00 -2.414700504e+00 2.20 -4.429581703e+00 -3.549712601e+00 -2.821884031e+00 2.22 -4.404961924e+00 -3.777886898e+00 -3.117263046e+00 2.24 -4.365355829e+00 -3.948652805e+00 -3.326234045e+00 2.26 -4.324568084e+00 -4.075879033e+00 -3.471975431e+00 2.28 -4.293013350e+00 -4.169043873e+00 -3.579961402e+00 2.30 -4.270377949e+00 -4.233590166e+00 -3.676727470e+00 2.32 -4.249890985e+00 -4.272926124e+00 -3.778709254e+00 2.34 -4.225847700e+00 -4.292180214e+00 -3.886040211e+00 2.36 -4.196549032e+00 -4.299201215e+00 -3.990312770e+00 2.38 -4.162459212e+00 -4.300726397e+00 -4.084145120e+00 2.40 -4.124089918e+00 -4.300951977e+00 -4.165213348e+00 2.42 -4.081896234e+00 -4.303240747e+00 -4.234060312e+00 2.44 -4.036264147e+00 -4.309192525e+00 -4.291511227e+00 2.46 -3.987483283e+00 -4.317066524e+00 -4.338253226e+00 2.48 -3.935706538e+00 -4.323250176e+00 -4.374918779e+00 2.50 -3.880896439e+00 -4.324620961e+00 -4.402069599e+00 2.52 -3.822762913e+00 -4.320142535e+00 -4.420175107e+00 2.54 -3.760717544e+00 -4.310088115e+00 -4.429583444e+00 2.56 -3.693917022e+00 -4.294839742e+00 -4.430482308e+00 2.58 -3.621556031e+00 -4.274685944e+00 -4.422858240e+00 2.60 -3.543633547e+00 -4.249854131e+00 -4.406447113e+00 2.62 -3.462134739e+00 -4.220536742e+00 -4.380779507e+00 2.64 -3.381596921e+00 -4.186908031e+00 -4.345343115e+00 2.66 -3.307397479e+00 -4.149141761e+00 -4.300192713e+00 2.68 -3.242366352e+00 -4.107432724e+00 -4.246987454e+00 2.70 -3.185336246e+00 -4.062019394e+00 -4.189759415e+00 2.72 -3.132915856e+00 -4.013202981e+00 -4.133915141e+00 2.74 -3.081917773e+00 -3.961329015e+00 -4.083311535e+00 2.76 -3.030519415e+00 -3.906786810e+00 -4.038197103e+00 2.78 -2.978434897e+00 -3.849961765e+00 -3.996122212e+00 2.80 -2.925298812e+00 -3.791256185e+00 -3.954209580e+00 2.82 -2.870860777e+00 -3.731055916e+00 -3.910604342e+00 2.84 -2.814816306e+00 -3.669700137e+00 -3.864926695e+00 2.86 -2.756825181e+00 -3.607445080e+00 -3.817216088e+00 2.88 -2.696636198e+00 -3.544425002e+00 -3.767591159e+00 2.90 -2.634560566e+00 -3.480616001e+00 -3.716174666e+00 2.92 -2.571982807e+00 -3.415815637e+00 -3.663099315e+00 2.94 -2.510633867e+00 -3.349691836e+00 -3.608512495e+00 2.96 -2.451085111e+00 -3.281897309e+00 -3.552579390e+00 2.98 -2.392820494e+00 -3.212219070e+00 -3.495485158e+00 3.00 -2.335189942e+00 -3.140763956e+00 -3.437434519e+00 3.02 -2.277700322e+00 -3.068013554e+00 -3.378633297e+00 3.04 -2.220837842e+00 -2.994520715e+00 -3.319254910e+00 3.06 -2.167754831e+00 -2.920333001e+00 -3.259421958e+00 3.08 -2.120162464e+00 -2.844699727e+00 -3.199191235e+00 3.10 -2.075991367e+00 -2.766496749e+00 -3.138567029e+00 3.12 -2.033620588e+00 -2.685151463e+00 -3.077536673e+00 3.14 -1.992303833e+00 -2.601490016e+00 -3.016076902e+00 3.16 -1.951658349e+00 -2.517990599e+00 -2.954087223e+00 3.18 -1.911430778e+00 -2.438414978e+00 -2.891706185e+00 3.20 -1.871404171e+00 -2.366178575e+00 -2.828783388e+00 3.22 -1.831345470e+00 -2.302580528e+00 -2.765386139e+00 3.24 -1.790990793e+00 -2.246053292e+00 -2.701738535e+00 3.26 -1.750065455e+00 -2.193890746e+00 -2.638253905e+00 3.28 -1.708356887e+00 -2.143829007e+00 -2.575410235e+00 3.30 -1.665858122e+00 -2.094583776e+00 -2.513496027e+00 3.32 -1.622961328e+00 -2.048380448e+00 -2.452438930e+00 3.34 -1.580586661e+00 -2.008417723e+00 -2.391824906e+00 3.36 -1.540050487e+00 -1.973593083e+00 -2.331065058e+00 3.38 -1.502595057e+00 -1.941550230e+00 -2.269498952e+00 3.40 -1.468846040e+00 -1.911138233e+00 -2.206478851e+00 3.42 -1.438620877e+00 -1.881831164e+00 -2.141574442e+00 3.44 -1.411184699e+00 -1.853364004e+00 -2.075026818e+00 3.46 -1.385669283e+00 -1.825592188e+00 -2.008470101e+00 3.48 -1.361377170e+00 -1.798431560e+00 -1.945043944e+00 3.50 -1.337750074e+00 -1.771830194e+00 -1.887626396e+00 3.52 -1.315096869e+00 -1.745754172e+00 -1.837634949e+00 3.54 -1.293095605e+00 -1.720180005e+00 -1.795233720e+00 3.56 -1.271749505e+00 -1.695090384e+00 -1.759485964e+00 3.58 -1.251060298e+00 -1.670471717e+00 -1.728748044e+00 3.60 -1.231028101e+00 -1.646312639e+00 -1.701272816e+00 3.62 -1.211651318e+00 -1.622603113e+00 -1.675663284e+00 3.64 -1.192922579e+00 -1.599333874e+00 -1.650765663e+00 3.66 -1.174845873e+00 -1.576496081e+00 -1.627050470e+00 3.68 -1.157406515e+00 -1.554081102e+00 -1.603877995e+00 3.70 -1.140594439e+00 -1.532080377e+00 -1.581208537e+00 3.72 -1.124397175e+00 -1.510485334e+00 -1.559009411e+00 3.74 -1.108799814e+00 -1.489287332e+00 -1.537252982e+00 3.76 -1.093785026e+00 -1.468477635e+00 -1.515915438e+00 3.78 -1.079333076e+00 -1.448047383e+00 -1.494975904e+00 3.80 -1.065421850e+00 -1.427987578e+00 -1.474415604e+00 3.82 -1.052026895e+00 -1.408289076e+00 -1.454217377e+00 3.84 -1.039121498e+00 -1.388942572e+00 -1.434365454e+00 3.86 -1.026676774e+00 -1.369935392e+00 -1.414845315e+00 3.88 -1.014661803e+00 -1.351265847e+00 -1.395643601e+00 3.90 -1.003043783e+00 -1.332918720e+00 -1.376748051e+00 3.92 -9.917882023e-01 -1.314884170e+00 -1.358147478e+00 3.94 -9.808590931e-01 -1.297152137e+00 -1.339831732e+00 3.96 -9.702193317e-01 -1.279712338e+00 -1.321791687e+00 3.98 -9.598306538e-01 -1.262554245e+00 -1.304019226e+00 4.00 -9.496541547e-01 -1.245667084e+00 -1.286507213e+00 4.02 -9.396504166e-01 -1.229039834e+00 -1.269249474e+00 4.04 -9.297826587e-01 -1.212661237e+00 -1.252240765e+00 4.06 -9.200145904e-01 -1.196519813e+00 -1.235476735e+00 4.08 -9.103005501e-01 -1.180603863e+00 -1.218953877e+00 4.10 -9.005989757e-01 -1.164901490e+00 -1.202669481e+00 4.12 -8.908786572e-01 -1.149400622e+00 -1.186621566e+00 4.14 -8.811206390e-01 -1.134089050e+00 -1.170808819e+00 4.16 -8.713042116e-01 -1.118954459e+00 -1.155230532e+00 4.18 -8.614077309e-01 -1.103984479e+00 -1.139886559e+00 4.20 -8.514077585e-01 -1.089166735e+00 -1.124777222e+00 4.22 -8.412851510e-01 -1.074488902e+00 -1.109903212e+00 4.24 -8.310285273e-01 -1.059938754e+00 -1.095265485e+00 4.26 -8.206298620e-01 -1.045504339e+00 -1.080865159e+00 4.28 -8.100819605e-01 -1.031174240e+00 -1.066703406e+00 4.30 -7.993782621e-01 -1.016937671e+00 -1.052781348e+00 4.32 -7.885128810e-01 -1.002784667e+00 -1.039099955e+00 4.34 -7.774806604e-01 -9.887062830e-01 -1.025659940e+00 4.36 -7.662772217e-01 -9.746946432e-01 -1.012461663e+00 4.38 -7.548990227e-01 -9.607430744e-01 -9.995050424e-01 4.40 -7.433434197e-01 -9.468462959e-01 -9.867894583e-01 4.42 -7.316087231e-01 -9.330008164e-01 -9.743136409e-01 4.44 -7.196942616e-01 -9.192062271e-01 -9.620757739e-01 4.46 -7.076004425e-01 -9.054650402e-01 -9.500608883e-01 4.48 -6.953288053e-01 -8.917766487e-01 -9.382945276e-01 4.50 -6.828820751e-01 -8.781413913e-01 -9.267535014e-01 4.52 -6.702642102e-01 -8.645628925e-01 -9.154349478e-01 4.54 -6.574804312e-01 -8.510488017e-01 -9.043338101e-01 4.56 -6.445372537e-01 -8.376120369e-01 -8.934366638e-01 4.58 -6.314424939e-01 -8.242630725e-01 -8.827317364e-01 4.60 -6.182052683e-01 -8.110097605e-01 -8.722107040e-01 4.62 -6.048359718e-01 -7.978578378e-01 -8.618728455e-01 4.64 -5.913462320e-01 -7.848091456e-01 -8.517142506e-01 4.66 -5.777488143e-01 -7.718648485e-01 -8.417265552e-01 4.68 -5.640574695e-01 -7.590266052e-01 -8.318977016e-01 4.70 -5.502868262e-01 -7.462950583e-01 -8.222101947e-01 4.72 -5.364522697e-01 -7.336697030e-01 -8.126476235e-01 4.74 -5.225697899e-01 -7.211487491e-01 -8.031935639e-01 4.76 -5.086558386e-01 -7.087290004e-01 -7.938309169e-01 4.78 -4.947271218e-01 -6.964057202e-01 -7.845419992e-01 4.80 -4.808004141e-01 -6.841725154e-01 -7.753086480e-01 4.82 -4.668923570e-01 -6.720211967e-01 -7.661123410e-01 4.84 -4.530192063e-01 -6.599416425e-01 -7.569343248e-01 4.86 -4.391966439e-01 -6.479216295e-01 -7.477557580e-01 4.88 -4.254394735e-01 -6.359466699e-01 -7.385578638e-01 4.90 -4.117613797e-01 -6.239997609e-01 -7.293220958e-01 4.92 -3.981747032e-01 -6.120611718e-01 -7.200303141e-01 4.94 -3.846900397e-01 -6.001080894e-01 -7.106649696e-01 4.96 -3.713160005e-01 -5.881144350e-01 -7.012093010e-01 4.98 -3.580589389e-01 -5.760505278e-01 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