# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Choi-W-M-Kim-Y-Seol-D-Lee-B-J--Co-Cr # implementation = 2017--Choi-W-M--Co-Cr--LAMMPS--ipr1 # composition = Co3Cr # 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 4.645945124e+02 nan nan 0.80 4.322772355e+02 nan nan 0.82 4.020572019e+02 nan nan 0.84 3.738046169e+02 3.740927507e+02 nan 0.86 3.473973733e+02 3.506353558e+02 5.068870477e+02 0.88 3.227206560e+02 3.285402424e+02 4.755239244e+02 0.90 2.996665236e+02 3.077322203e+02 4.459701919e+02 0.92 2.781335086e+02 2.881400780e+02 4.181262657e+02 0.94 2.580262407e+02 2.696963688e+02 3.918978145e+02 0.96 2.392551008e+02 2.523372236e+02 3.671955000e+02 0.98 2.217359142e+02 2.360021857e+02 3.439347473e+02 1.00 2.053895886e+02 2.206340347e+02 3.220354992e+02 1.02 1.901418071e+02 2.061786183e+02 3.014219803e+02 1.04 1.759227533e+02 1.925846927e+02 2.820224750e+02 1.06 1.626668524e+02 1.798037721e+02 2.637691160e+02 1.08 1.503125246e+02 1.677899966e+02 2.465977022e+02 1.10 1.388019498e+02 1.564999950e+02 2.304475062e+02 1.12 1.280808147e+02 1.458927355e+02 2.152610641e+02 1.14 1.180981340e+02 1.359294044e+02 2.009840063e+02 1.16 1.088060820e+02 1.265732917e+02 1.875648984e+02 1.18 1.001598026e+02 1.177896830e+02 1.749550901e+02 1.20 9.211723022e+01 1.095457555e+02 1.631085705e+02 1.22 8.463892135e+01 1.018104795e+02 1.519818315e+02 1.24 7.768789616e+01 9.455451532e+01 1.415337220e+02 1.26 7.122948972e+01 8.775011839e+01 1.317253161e+02 1.28 6.523123396e+01 8.137107773e+01 1.225198293e+02 1.30 5.966273726e+01 7.539263624e+01 1.138825077e+02 1.32 5.449551145e+01 6.979141248e+01 1.057805186e+02 1.34 4.970285358e+01 6.454532655e+01 9.818284754e+01 1.36 4.525974013e+01 5.963352992e+01 9.106019993e+01 1.38 4.114272709e+01 5.503633904e+01 8.438490877e+01 1.40 3.732985559e+01 5.073517243e+01 7.813084672e+01 1.42 3.380056270e+01 4.671249461e+01 7.227334831e+01 1.44 3.053559741e+01 4.295177663e+01 6.678915675e+01 1.46 2.751693920e+01 3.943742307e+01 6.165632009e+01 1.48 2.472768887e+01 3.615471220e+01 5.685410678e+01 1.50 2.215201382e+01 3.308974971e+01 5.236294138e+01 1.52 1.977511955e+01 3.022942477e+01 4.816434353e+01 1.54 1.758318487e+01 2.756136828e+01 4.424086983e+01 1.56 1.556329978e+01 2.507391318e+01 4.057605856e+01 1.58 1.370340726e+01 2.275605674e+01 3.715437733e+01 1.60 1.199224865e+01 2.059742475e+01 3.396117326e+01 1.62 1.041931261e+01 1.858823754e+01 3.098262563e+01 1.64 8.974787156e+00 1.671927199e+01 2.820569238e+01 1.66 7.649514808e+00 1.498181489e+01 2.561804353e+01 1.68 6.434950946e+00 1.336765721e+01 2.320805557e+01 1.70 5.323152157e+00 1.186907275e+01 2.096478245e+01 1.72 4.306746795e+00 1.047879070e+01 1.887791711e+01 1.74 3.378851072e+00 9.189969673e+00 1.693775528e+01 1.76 2.533034806e+00 7.996173243e+00 1.513516118e+01 1.78 1.763293659e+00 6.891346857e+00 1.346153526e+01 1.80 1.064022945e+00 5.869796021e+00 1.190878375e+01 1.82 4.299929275e-01 4.926165704e+00 1.046928980e+01 1.84 -1.436744670e-01 4.055420918e+00 9.135886264e+00 1.86 -6.615275999e-01 3.252828365e+00 7.901830102e+00 1.88 -1.127805795e+00 2.513939686e+00 6.760778952e+00 1.90 -1.546458812e+00 1.834591038e+00 5.706792175e+00 1.92 -1.921165184e+00 1.210885646e+00 4.734306248e+00 1.94 -2.255350198e+00 6.391581252e-01 3.838082716e+00 1.96 -2.552233597e+00 1.159606256e-01 3.013188798e+00 1.98 -2.814848300e+00 -3.619491066e-01 2.254980788e+00 2.00 -3.046006151e+00 -7.976190755e-01 1.559088267e+00 2.02 -3.248309940e+00 -1.193913790e+00 9.213991290e-01 2.04 -3.424168200e+00 -1.553524476e+00 3.380453558e-01 2.06 -3.575808993e+00 -1.878978756e+00 -1.946104723e-01 2.08 -3.705292747e+00 -2.172649828e+00 -6.799879838e-01 2.10 -3.814524217e+00 -2.436765167e+00 -1.121301155e+00 2.12 -3.905263617e+00 -2.673414772e+00 -1.521569826e+00 2.14 -3.979136989e+00 -2.884558979e+00 -1.883630615e+00 2.16 -4.037645850e+00 -3.072035858e+00 -2.210147263e+00 2.18 -4.082176173e+00 -3.237574243e+00 -2.503629461e+00 2.20 -4.113996969e+00 -3.382818652e+00 -2.766469565e+00 2.22 -4.134226161e+00 -3.509311823e+00 -3.000915782e+00 2.24 -4.143883265e+00 -3.618493321e+00 -3.209069475e+00 2.26 -4.143916347e+00 -3.711706030e+00 -3.392894359e+00 2.28 -4.135206576e+00 -3.790202260e+00 -3.554225139e+00 2.30 -4.118572481e+00 -3.855149473e+00 -3.694775614e+00 2.32 -4.094773950e+00 -3.907635675e+00 -3.816146296e+00 2.34 -4.064515994e+00 -3.948674461e+00 -3.919831562e+00 2.36 -4.028452278e+00 -3.979209768e+00 -4.007226367e+00 2.38 -3.987188438e+00 -4.000120325e+00 -4.079632547e+00 2.40 -3.941285200e+00 -4.012223839e+00 -4.138264738e+00 2.42 -3.891261309e+00 -4.016280921e+00 -4.184255920e+00 2.44 -3.837596273e+00 -4.012998782e+00 -4.218662644e+00 2.46 -3.780732948e+00 -4.003027740e+00 -4.242459582e+00 2.48 -3.721079959e+00 -3.986946422e+00 -4.256516913e+00 2.50 -3.659013970e+00 -3.965289060e+00 -4.261641063e+00 2.52 -3.594881817e+00 -3.938555118e+00 -4.258588913e+00 2.54 -3.529002512e+00 -3.907211298e+00 -4.248070565e+00 2.56 -3.461669113e+00 -3.871693437e+00 -4.230751965e+00 2.58 -3.393150489e+00 -3.832408300e+00 -4.207257379e+00 2.60 -3.323692961e+00 -3.789735279e+00 -4.178171739e+00 2.62 -3.253521856e+00 -3.744027990e+00 -4.144042863e+00 2.64 -3.182842948e+00 -3.695615795e+00 -4.105383540e+00 2.66 -3.111843819e+00 -3.644805233e+00 -4.062673514e+00 2.68 -3.040695126e+00 -3.591881370e+00 -4.016361343e+00 2.70 -2.969551794e+00 -3.537109087e+00 -3.966866159e+00 2.72 -2.898554125e+00 -3.480734280e+00 -3.914579329e+00 2.74 -2.827828845e+00 -3.422985007e+00 -3.859866013e+00 2.76 -2.757490077e+00 -3.364072566e+00 -3.803066709e+00 2.78 -2.687640250e+00 -3.304192511e+00 -3.745158837e+00 2.80 -2.618370959e+00 -3.243525617e+00 -3.692407178e+00 2.82 -2.549763754e+00 -3.182238783e+00 -3.650110793e+00 2.84 -2.481890891e+00 -3.120485893e+00 -3.592546344e+00 2.86 -2.414816025e+00 -3.058408620e+00 -3.529457989e+00 2.88 -2.348594863e+00 -2.996137192e+00 -3.465820252e+00 2.90 -2.283275768e+00 -2.933791109e+00 -3.401835750e+00 2.92 -2.218900327e+00 -2.871479820e+00 -3.337691645e+00 2.94 -2.155503881e+00 -2.809303367e+00 -3.273560471e+00 2.96 -2.093116018e+00 -2.747352979e+00 -3.209600888e+00 2.98 -2.031761033e+00 -2.685711648e+00 -3.145958390e+00 3.00 -1.971458356e+00 -2.624454661e+00 -3.082765962e+00 3.02 -1.912222954e+00 -2.563650102e+00 -3.020144682e+00 3.04 -1.854065705e+00 -2.503359326e+00 -2.958204283e+00 3.06 -1.796993742e+00 -2.443637410e+00 -2.897043664e+00 3.08 -1.741010783e+00 -2.384533569e+00 -2.836751377e+00 3.10 -1.686117426e+00 -2.326091553e+00 -2.777406058e+00 3.12 -1.632311438e+00 -2.268350017e+00 -2.719076848e+00 3.14 -1.579588014e+00 -2.211342875e+00 -2.661823772e+00 3.16 -1.527940022e+00 -2.155099624e+00 -2.605698101e+00 3.18 -1.477358237e+00 -2.099645655e+00 -2.550742696e+00 3.20 -1.427227736e+00 -2.045002544e+00 -2.496992324e+00 3.22 -1.366598177e+00 -1.991188324e+00 -2.444473968e+00 3.24 -1.384755178e+00 -1.938217742e+00 -2.393207111e+00 3.26 -1.441227153e+00 -1.886102498e+00 -2.343203994e+00 3.28 -1.383261633e+00 -1.834851472e+00 -2.294469846e+00 3.30 -1.348248100e+00 -1.784470935e+00 -2.247003073e+00 3.32 -1.313925801e+00 -1.734964752e+00 -2.200795393e+00 3.34 -1.280296373e+00 -1.686334563e+00 -2.155831908e+00 3.36 -1.247359957e+00 -1.638579965e+00 -2.112091111e+00 3.38 -1.215115344e+00 -1.591698585e+00 -2.069544833e+00 3.40 -1.183560105e+00 -1.545127385e+00 -2.028158142e+00 3.42 -1.152690707e+00 -1.493392618e+00 -1.987889246e+00 3.44 -1.122502628e+00 -1.421668040e+00 -1.948689455e+00 3.46 -1.092990451e+00 -1.322895816e+00 -1.910503287e+00 3.48 -1.064147961e+00 -1.276500463e+00 -1.873268835e+00 3.50 -1.035793171e+00 -1.235136514e+00 -1.836918466e+00 3.52 -9.994116680e-01 -1.194444377e+00 -1.801379975e+00 3.54 -9.209961619e-01 -1.154415575e+00 -1.766578195e+00 3.56 -7.550359515e-01 -1.115042141e+00 -1.732437080e+00 3.58 -5.894496101e-01 -1.076316874e+00 -1.698882130e+00 3.60 -5.758936047e-01 -1.038233610e+00 -1.665843003e+00 3.62 -5.626082159e-01 -1.000787506e+00 -1.633256086e+00 3.64 -5.495904211e-01 -9.639753258e-01 -1.601066752e+00 3.66 -5.368370768e-01 -9.277957385e-01 -1.569231083e+00 3.68 -5.243449313e-01 -8.922496122e-01 -1.537716875e+00 3.70 -5.121106366e-01 -8.573402984e-01 -1.506503819e+00 3.72 -5.001307604e-01 -8.230738971e-01 -1.475582897e+00 3.74 -4.884017964e-01 -7.894594890e-01 -1.444955071e+00 3.76 -4.769201745e-01 -7.565093196e-01 -1.414629472e+00 3.78 -4.656822700e-01 -7.242389182e-01 -1.384621295e+00 3.80 -4.546844125e-01 -6.926671318e-01 -1.354949635e+00 3.82 -4.439228939e-01 -6.618160561e-01 -1.325635467e+00 3.84 -4.333939762e-01 -6.317108428e-01 -1.296699910e+00 3.86 -4.230938982e-01 -6.023793673e-01 -1.268162882e+00 3.88 -4.130188827e-01 -5.738517457e-01 -1.240042162e+00 3.90 -4.031651418e-01 -5.461596924e-01 -1.212352853e+00 3.92 -3.926959284e-01 -5.182416110e-01 -1.183455392e+00 3.94 -3.710718288e-01 -4.768395104e-01 -1.131778837e+00 3.96 -3.105129603e-01 -3.890995686e-01 -9.903043056e-01 3.98 -1.725403561e-01 -2.121940537e-01 -6.106264107e-01 4.00 -9.815708761e-23 -2.107320950e-22 -2.299471787e-22 4.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 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