# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2015--Purja-Pun-G-P-Darling-K-A-Kecskes-L-J-Mishin-Y--Cu-Ta # implementation = 2015--Purja-Pun-G-P--Cu-Ta--LAMMPS--ipr1 # composition = Cu # 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 A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan 1.084787427e+03 nan 0.78 nan nan nan nan nan nan nan nan 9.577879691e+02 nan 0.80 nan nan nan nan nan nan nan nan 8.471984189e+02 nan 0.82 nan nan nan nan nan nan nan nan 7.506581124e+02 nan 0.84 nan nan nan nan nan 6.124304948e+02 nan nan 6.661637759e+02 nan 0.86 nan nan nan nan nan 5.471438126e+02 nan nan 5.920362877e+02 nan 0.88 nan nan nan nan nan 4.894398871e+02 nan nan 5.268613359e+02 nan 0.90 nan nan nan nan nan 4.383331680e+02 nan nan 4.694501810e+02 nan 0.92 nan nan nan nan nan 3.929838063e+02 nan nan 4.188012345e+02 nan 0.94 nan 5.447353417e+02 nan 9.867550611e+02 9.867554930e+02 3.526631183e+02 nan nan 3.740559999e+02 5.860863136e+02 0.96 nan 4.855994956e+02 nan 8.874766200e+02 8.874875307e+02 3.167465739e+02 5.206699789e+02 nan 3.344697121e+02 5.256483600e+02 0.98 nan 4.333274397e+02 nan 7.986165785e+02 7.986420674e+02 2.847035764e+02 4.665168806e+02 nan 2.993981070e+02 4.718325863e+02 1.00 nan 3.871110089e+02 nan 7.190024647e+02 7.190395741e+02 2.560850111e+02 4.183390947e+02 nan 2.682818154e+02 4.238455493e+02 1.02 nan 3.462303729e+02 nan 6.476253061e+02 6.476682966e+02 2.305073816e+02 3.754316499e+02 nan 2.406369870e+02 3.810049213e+02 1.04 nan 3.100539054e+02 nan 5.836024304e+02 5.836444781e+02 2.070053364e+02 3.371867401e+02 nan 2.160491464e+02 3.427304271e+02 1.06 nan 2.780281104e+02 4.498742463e+02 5.261548680e+02 5.261899335e+02 1.856163257e+02 3.030842742e+02 4.723122181e+02 1.941636087e+02 3.085149739e+02 1.08 4.745802242e+02 2.496594839e+02 4.052600200e+02 4.746029027e+02 4.746278498e+02 1.664755774e+02 2.726747944e+02 4.254852219e+02 1.744809837e+02 2.779084239e+02 1.10 4.283505301e+02 2.245014007e+02 3.653912424e+02 4.283553866e+02 4.283698247e+02 1.493507498e+02 2.455576603e+02 3.835829641e+02 1.561786130e+02 2.505175771e+02 1.12 3.868911934e+02 2.021599152e+02 3.297626830e+02 3.868871541e+02 3.868932354e+02 1.340294327e+02 2.213706798e+02 3.461083671e+02 1.398384832e+02 2.260037523e+02 1.14 3.497292074e+02 1.822957855e+02 2.979171137e+02 3.497245642e+02 3.497266781e+02 1.203205061e+02 1.997907252e+02 3.126112441e+02 1.252471515e+02 2.040738982e+02 1.16 3.164372337e+02 1.646154691e+02 2.694451314e+02 3.164381397e+02 3.164408122e+02 1.080549703e+02 1.805319144e+02 2.826786100e+02 1.122170846e+02 1.844671542e+02 1.18 2.866260639e+02 1.488621805e+02 2.439858163e+02 2.866353456e+02 2.866409559e+02 9.708410023e+01 1.633409020e+02 2.559298307e+02 1.005815083e+02 1.669442032e+02 1.20 2.599377795e+02 1.341354051e+02 2.212148041e+02 2.599537952e+02 2.599626234e+02 8.727453985e+01 1.475668203e+02 2.320156475e+02 9.018843379e+01 1.506250264e+02 1.22 2.360370845e+02 1.207501046e+02 2.008306850e+02 2.360557195e+02 2.360674021e+02 7.850106775e+01 1.330016021e+02 2.106190951e+02 8.089608912e+01 1.357957146e+02 1.24 2.146138793e+02 1.087365280e+02 1.825584381e+02 2.146322229e+02 2.146462118e+02 7.064577521e+01 1.199308440e+02 1.914547988e+02 7.257507608e+01 1.224984793e+02 1.26 1.953912842e+02 9.793729568e+01 1.661584206e+02 1.954080170e+02 1.954229726e+02 6.360324442e+01 1.081851938e+02 1.742694443e+02 6.511245997e+01 1.105679070e+02 1.28 1.781235882e+02 8.821609199e+01 1.514222278e+02 1.781371410e+02 1.781508084e+02 5.728187209e+01 9.761870658e+01 1.588382607e+02 5.841102873e+01 9.985459298e+01 1.30 1.625911506e+02 7.945278307e+01 1.378630399e+02 1.625998010e+02 1.626101431e+02 5.160132269e+01 8.810443589e+01 1.449609643e+02 5.238708621e+01 9.022085879e+01 1.32 1.485983155e+02 7.154289287e+01 1.251308598e+02 1.486015819e+02 1.486080059e+02 4.648975591e+01 7.952942095e+01 1.318162968e+02 4.696776133e+01 8.154185749e+01 1.34 1.355684851e+02 6.439612195e+01 1.136094992e+02 1.355655551e+02 1.355678790e+02 4.188299220e+01 7.179160937e+01 1.197795011e+02 4.208817936e+01 7.370760273e+01 1.36 1.234055891e+02 5.793216277e+01 1.031704359e+02 1.233997499e+02 1.234005126e+02 3.772484525e+01 6.479932744e+01 1.088750422e+02 3.769021000e+01 6.662368059e+01 1.38 1.123721116e+02 5.207861131e+01 9.370196170e+01 1.123660187e+02 1.123665091e+02 3.396645350e+01 5.847214703e+01 9.898122220e+01 3.372244283e+01 6.021033862e+01 1.40 1.023451790e+02 4.677253573e+01 8.510415215e+01 1.023430134e+02 1.023444072e+02 3.056519458e+01 5.274044928e+01 8.999113074e+01 3.013988500e+01 5.439957255e+01 1.42 9.321838848e+01 4.196104835e+01 7.728696784e+01 9.322389190e+01 9.322712048e+01 2.748392120e+01 4.754335178e+01 8.181179999e+01 2.690270550e+01 4.913108273e+01 1.44 8.490208251e+01 3.759831313e+01 7.016986557e+01 8.491568501e+01 8.492110551e+01 2.468973663e+01 4.282662885e+01 7.436245440e+01 2.397528183e+01 4.434992388e+01 1.46 7.731890858e+01 3.364164818e+01 6.368156681e+01 7.733718476e+01 7.734452069e+01 2.215272803e+01 3.854184948e+01 6.757146748e+01 2.132603219e+01 4.000627643e+01 1.48 7.039832360e+01 3.005066439e+01 5.776026002e+01 7.041654583e+01 7.042515385e+01 1.984591490e+01 3.464637387e+01 6.137419717e+01 1.892693671e+01 3.605547936e+01 1.50 6.407534451e+01 2.678871494e+01 5.235359729e+01 6.409006880e+01 6.409923370e+01 1.774598187e+01 3.110321614e+01 5.571269202e+01 1.675304597e+01 3.245804928e+01 1.52 5.829144648e+01 2.382448842e+01 4.741706072e+01 5.830153882e+01 5.831073624e+01 1.583355583e+01 2.787966512e+01 5.053582706e+01 1.478223536e+01 2.917908168e+01 1.54 5.299513383e+01 2.113157735e+01 4.291040459e+01 5.300116114e+01 5.301011768e+01 1.409224894e+01 2.494556578e+01 4.579891694e+01 1.299481750e+01 2.618803085e+01 1.56 4.814163405e+01 1.868656031e+01 3.879484472e+01 4.814450772e+01 4.815296028e+01 1.250716349e+01 2.227274443e+01 4.146253712e+01 1.137319391e+01 2.345845802e+01 1.58 4.369130801e+01 1.646733646e+01 3.503329459e+01 4.369161124e+01 4.369905601e+01 1.106452454e+01 1.983559843e+01 3.749108622e+01 9.901731004e+00 2.096697000e+01 1.60 3.960860913e+01 1.445257000e+01 3.159204338e+01 3.960669185e+01 3.961234506e+01 9.751834324e+00 1.761173254e+01 3.385242506e+01 8.566885326e+00 1.869224587e+01 1.62 3.586171548e+01 1.262210085e+01 2.844148914e+01 3.585801187e+01 3.586102662e+01 8.557751873e+00 1.558202109e+01 3.051793140e+01 7.357075742e+00 1.661486857e+01 1.64 3.242227324e+01 1.095770227e+01 2.555550911e+01 3.241755066e+01 3.241744014e+01 7.471843991e+00 1.372989535e+01 2.746244605e+01 6.262121096e+00 1.471757066e+01 1.66 2.926493500e+01 9.443881936e+00 2.291064737e+01 2.926026429e+01 2.925724683e+01 6.484338605e+00 1.204059704e+01 2.466359380e+01 5.272566061e+00 1.298502582e+01 1.68 2.636684603e+01 8.067767474e+00 2.048600116e+01 2.636342197e+01 2.635844788e+01 5.586232306e+00 1.050081671e+01 2.210096750e+01 4.379389930e+00 1.140344882e+01 1.70 2.370743470e+01 6.818346195e+00 1.826339795e+01 2.370620365e+01 2.370057988e+01 4.769527360e+00 9.098366688e+00 1.975574843e+01 3.574135316e+00 9.960465042e+00 1.72 2.126840122e+01 5.685614308e+00 1.622721405e+01 2.126956255e+01 2.126441075e+01 4.027248272e+00 7.821943732e+00 1.761056631e+01 2.849097792e+00 8.645208504e+00 1.74 1.903334191e+01 4.660005776e+00 1.436355602e+01 1.903613117e+01 1.903205847e+01 3.353109560e+00 6.661206074e+00 1.564920212e+01 2.197307286e+00 7.448157711e+00 1.76 1.698683485e+01 3.732265637e+00 1.265927431e+01 1.698985459e+01 1.698699791e+01 2.741147470e+00 5.606841807e+00 1.385607972e+01 1.612330660e+00 6.360498805e+00 1.78 1.511366936e+01 2.893653476e+00 1.110148326e+01 1.511564853e+01 1.511394070e+01 2.185602625e+00 4.650469324e+00 1.221609847e+01 1.088082583e+00 5.373561393e+00 1.80 1.339875211e+01 2.136252892e+00 9.677813286e+00 1.339919823e+01 1.339860381e+01 1.681156797e+00 3.784480269e+00 1.071506894e+01 6.186859926e-01 4.478793644e+00 1.82 1.182753084e+01 1.453109810e+00 8.376866789e+00 1.182676129e+01 1.182730405e+01 1.223224744e+00 3.001723884e+00 9.340034088e+00 1.984251967e-01 3.668139696e+00 1.84 1.038663562e+01 8.381006981e-01 7.188517641e+00 1.038538407e+01 1.038708212e+01 8.080353862e-01 2.295315566e+00 8.079537425e+00 -1.781307938e-01 2.934376353e+00 1.86 9.064246819e+00 2.857702719e-01 6.103751174e+00 9.063253811e+00 9.066075832e+00 4.323482973e-01 1.658673774e+00 6.923775631e+00 -5.159011938e-01 2.271125172e+00 1.88 7.849812871e+00 -2.087901217e-01 5.114045739e+00 7.849706636e+00 7.853590710e+00 9.296142416e-02 1.085567016e+00 5.864397194e+00 -8.191440566e-01 1.672428469e+00 1.90 6.733981998e+00 -6.500144872e-01 4.211159140e+00 6.735325081e+00 6.740196618e+00 -2.134272564e-01 5.701916064e-01 4.894288246e+00 -1.091386390e+00 1.132540324e+00 1.92 5.708828116e+00 -1.041983443e+00 3.387332157e+00 5.712082288e+00 5.717813690e+00 -4.900352406e-01 1.072161144e-01 4.007307577e+00 -1.335425337e+00 6.459905844e-01 1.94 4.767963572e+00 -1.388649539e+00 2.635538574e+00 4.773297369e+00 4.779636163e+00 -7.397893698e-01 -3.082634480e-01 3.197940739e+00 -1.553496291e+00 2.076719639e-01 1.96 3.906253876e+00 -1.694016485e+00 1.949684101e+00 3.913302204e+00 3.919837837e+00 -9.652035193e-01 -6.807511013e-01 2.460951353e+00 -1.747539922e+00 -1.871068929e-01 1.98 3.119116477e+00 -1.962152772e+00 1.324696201e+00 3.126986911e+00 3.133218299e+00 -1.168387594e+00 -1.014367313e+00 1.791144741e+00 -1.919404050e+00 -5.426294436e-01 2.00 2.401818267e+00 -2.197075244e+00 7.563906891e-01 2.409401388e+00 2.414886945e+00 -1.351171578e+00 -1.312799817e+00 1.183349950e+00 -2.070922774e+00 -8.628349012e-01 2.02 1.749266951e+00 -2.402536434e+00 2.412519798e-01 1.755624376e+00 1.760097271e+00 -1.515112472e+00 -1.579265692e+00 6.326191427e-01 -2.203901502e+00 -1.151312805e+00 2.04 1.156264674e+00 -2.581860040e+00 -2.238739270e-01 1.160869463e+00 1.164241051e+00 -1.661459359e+00 -1.816553708e+00 1.344106992e-01 -2.320066964e+00 -1.411256867e+00 2.06 6.178887636e-01 -2.737907140e+00 -6.420827471e-01 6.206480457e-01 6.229219185e-01 -1.791102672e+00 -2.027149961e+00 -3.153543133e-01 -2.421004153e+00 -1.645395883e+00 2.08 1.297585067e-01 -2.873140622e+00 -1.016622119e+00 1.308499326e-01 1.320208962e-01 -1.904888783e+00 -2.213371007e+00 -7.203380114e-01 -2.508100278e+00 -1.855930119e+00 2.10 -3.118699702e-01 -2.989743027e+00 -1.350963291e+00 -3.122329284e-01 -3.122394980e-01 -2.003805945e+00 -2.377427866e+00 -1.083957785e+00 -2.582505257e+00 -2.044541322e+00 2.12 -7.103018941e-01 -3.089661801e+00 -1.648712090e+00 -7.120078722e-01 -7.133213274e-01 -2.089001016e+00 -2.521422256e+00 -1.409541777e+00 -2.645032782e+00 -2.212541149e+00 2.14 -1.068710009e+00 -3.174626756e+00 -1.913403360e+00 -1.071723885e+00 -1.074443946e+00 -2.161715154e+00 -2.647306503e+00 -1.700352363e+00 -2.696316551e+00 -2.361129100e+00 2.16 -1.390240471e+00 -3.246153225e+00 -2.148301739e+00 -1.394502270e+00 -1.398601106e+00 -2.223185872e+00 -2.756837870e+00 -1.959520327e+00 -2.737026263e+00 -2.491620394e+00 2.18 -1.678030373e+00 -3.305534830e+00 -2.356347233e+00 -1.683367808e+00 -1.688640351e+00 -2.274558998e+00 -2.851565907e+00 -2.189981025e+00 -2.767914625e+00 -2.605519318e+00 2.20 -1.935163779e+00 -3.353838748e+00 -2.540111238e+00 -1.941256496e+00 -1.947332196e+00 -2.316825903e+00 -2.932838296e+00 -2.394444578e+00 -2.789809704e+00 -2.704441439e+00 2.22 -2.164595486e+00 -3.391918790e+00 -2.701796617e+00 -2.171000092e+00 -2.177402629e+00 -2.350808402e+00 -3.001830131e+00 -2.575373309e+00 -2.803579757e+00 -2.789972436e+00 2.24 -2.369064702e+00 -3.420453682e+00 -2.843352611e+00 -2.375294207e+00 -2.381523696e+00 -2.377210230e+00 -3.059579119e+00 -2.734998622e+00 -2.810098655e+00 -2.863532054e+00 2.26 -2.551006812e+00 -3.440006842e+00 -2.966552403e+00 -2.556618610e+00 -2.562230407e+00 -2.396664350e+00 -3.107023304e+00 -2.875332542e+00 -2.810214070e+00 -2.926261867e+00 2.28 -2.712461881e+00 -3.451091687e+00 -3.073027607e+00 -2.717128855e+00 -2.721795830e+00 -2.409765452e+00 -3.145035011e+00 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