# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2001--Mishin-Y-Mehl-M-J-Papaconstantopoulos-D-A-et-al--Cu-1 # implementation = 2001--Mishin-Y--Cu-1--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 1.641517711e+03 nan 0.72 nan nan nan nan nan nan nan nan 1.441418874e+03 nan 0.74 nan nan nan nan nan nan nan nan 1.268123340e+03 nan 0.76 nan nan nan nan nan 1.003388207e+03 nan nan 1.117718563e+03 nan 0.78 nan nan nan nan nan 8.899058338e+02 nan nan 9.869006106e+02 nan 0.80 nan nan nan nan nan 7.907183764e+02 nan nan 8.728658849e+02 nan 0.82 nan nan nan nan nan 7.037382554e+02 nan nan 7.732075215e+02 nan 0.84 nan nan nan nan nan 6.272207283e+02 nan nan 6.858850527e+02 nan 0.86 nan nan nan 1.567312678e+03 1.567371280e+03 5.597032742e+02 nan nan 6.091869529e+02 9.442166078e+02 0.88 nan 7.987352815e+02 nan 1.405873355e+03 1.405905535e+03 4.999685056e+02 nan nan 5.416707262e+02 8.430865780e+02 0.90 nan 7.102769791e+02 nan 1.262197369e+03 1.262209669e+03 4.470112036e+02 7.514040882e+02 nan 4.821237619e+02 7.536715575e+02 0.92 nan 6.319877198e+02 nan 1.134071418e+03 1.134071519e+03 3.999709730e+02 6.712184942e+02 nan 4.295230514e+02 6.744356750e+02 0.94 nan 5.626912966e+02 nan 1.019616669e+03 1.019616294e+03 3.581008009e+02 6.000919177e+02 nan 3.829900609e+02 6.040562241e+02 0.96 nan 5.013551186e+02 nan 9.172218906e+02 9.172328216e+02 3.207614561e+02 5.369115107e+02 nan 3.417624214e+02 5.414159913e+02 0.98 8.254800996e+02 4.470592865e+02 7.114710837e+02 8.254949009e+02 8.255211015e+02 2.874101053e+02 4.807053218e+02 7.456179419e+02 3.051810048e+02 4.855755381e+02 1.00 7.431996564e+02 3.989782722e+02 6.390120884e+02 7.432391132e+02 7.432771875e+02 2.575868843e+02 4.306352491e+02 6.701689614e+02 2.726734780e+02 4.357239466e+02 1.02 6.693686430e+02 3.563769303e+02 5.742278223e+02 6.694241845e+02 6.694679289e+02 2.308984008e+02 3.859812111e+02 6.025838388e+02 2.437446942e+02 3.911643060e+02 1.04 6.030912665e+02 3.186104834e+02 5.162850098e+02 6.031477053e+02 6.031899021e+02 2.070053365e+02 3.461226341e+02 5.420237684e+02 2.179703775e+02 3.513027586e+02 1.06 5.435722660e+02 2.851136179e+02 4.644460915e+02 5.436136288e+02 5.436481534e+02 1.856163257e+02 3.105283624e+02 4.877460262e+02 1.949871157e+02 3.156184558e+02 1.08 4.901085822e+02 2.553816074e+02 4.180581460e+02 4.901278517e+02 4.901518107e+02 1.664755774e+02 2.787378452e+02 4.390964149e+02 1.744809837e+02 2.836489843e+02 1.10 4.420837405e+02 2.289575889e+02 3.765426844e+02 4.420859812e+02 4.420994042e+02 1.493507498e+02 2.503392164e+02 3.955016392e+02 1.561786131e+02 2.549915357e+02 1.12 3.989548962e+02 2.054391797e+02 3.393824103e+02 3.989501343e+02 3.989556726e+02 1.340294327e+02 2.249603774e+02 3.564535883e+02 1.398384833e+02 2.293000024e+02 1.14 3.602385588e+02 1.844800364e+02 3.061095843e+02 3.602351195e+02 3.602374566e+02 1.203205061e+02 2.022703365e+02 3.214918600e+02 1.252471515e+02 2.062746243e+02 1.16 3.254979979e+02 1.657800130e+02 2.763067878e+02 3.255013845e+02 3.255049156e+02 1.080549704e+02 1.819767430e+02 2.901945209e+02 1.122170846e+02 1.856476782e+02 1.18 2.943357778e+02 1.490760621e+02 2.496065815e+02 2.943477627e+02 2.943544732e+02 9.708410024e+01 1.638203465e+02 2.621731456e+02 1.005815083e+02 1.671732477e+02 1.20 2.663865080e+02 1.341354052e+02 2.256778260e+02 2.664044333e+02 2.664142634e+02 8.727453985e+01 1.475668203e+02 2.370712169e+02 9.018843381e+01 1.506250264e+02 1.22 2.413075516e+02 1.207501046e+02 2.042120647e+02 2.413268858e+02 2.413392932e+02 7.850106776e+01 1.330016021e+02 2.145647369e+02 8.089608913e+01 1.357957147e+02 1.24 2.187818405e+02 1.087365280e+02 1.849279784e+02 2.187998233e+02 2.188141287e+02 7.064577521e+01 1.199308440e+02 1.943618121e+02 7.257507609e+01 1.224984793e+02 1.26 1.985262777e+02 9.793729569e+01 1.675805131e+02 1.985418348e+02 1.985565584e+02 6.360324443e+01 1.081851938e+02 1.762032309e+02 6.511245997e+01 1.105679070e+02 1.28 1.802895072e+02 8.821609200e+01 1.519559513e+02 1.803012810e+02 1.803141420e+02 5.728187209e+01 9.761870659e+01 1.598588447e+02 5.841102873e+01 9.985459299e+01 1.30 1.638467594e+02 7.945278309e+01 1.378630399e+02 1.638533601e+02 1.638625276e+02 5.160132269e+01 8.810443590e+01 1.451235522e+02 5.238708622e+01 9.022085878e+01 1.32 1.489979953e+02 7.154289289e+01 1.251308598e+02 1.489993531e+02 1.490045868e+02 4.648975593e+01 7.952942098e+01 1.318162968e+02 4.696776135e+01 8.154185752e+01 1.34 1.355684852e+02 6.439612198e+01 1.136094992e+02 1.355655551e+02 1.355678791e+02 4.188299221e+01 7.179160940e+01 1.197795012e+02 4.208817938e+01 7.370760275e+01 1.36 1.234055891e+02 5.793216278e+01 1.031704359e+02 1.233997500e+02 1.234005126e+02 3.772484526e+01 6.479932746e+01 1.088750422e+02 3.769021001e+01 6.662368062e+01 1.38 1.123721116e+02 5.207861132e+01 9.370196173e+01 1.123660188e+02 1.123665091e+02 3.396645352e+01 5.847214705e+01 9.898122222e+01 3.372244284e+01 6.021033864e+01 1.40 1.023451790e+02 4.677253576e+01 8.510415217e+01 1.023430134e+02 1.023444072e+02 3.056519459e+01 5.274044929e+01 8.999113076e+01 3.013988501e+01 5.439957257e+01 1.42 9.321838851e+01 4.196104837e+01 7.728696786e+01 9.322389192e+01 9.322712051e+01 2.748392121e+01 4.754335180e+01 8.181180001e+01 2.690270551e+01 4.913108274e+01 1.44 8.490208253e+01 3.759831315e+01 7.016986559e+01 8.491568503e+01 8.492110553e+01 2.468973663e+01 4.282662887e+01 7.436245441e+01 2.397528184e+01 4.434992389e+01 1.46 7.731890860e+01 3.364164819e+01 6.368156683e+01 7.733718478e+01 7.734452071e+01 2.215272804e+01 3.854184949e+01 6.757146749e+01 2.132603220e+01 4.000627644e+01 1.48 7.039832362e+01 3.005066440e+01 5.776026003e+01 7.041654584e+01 7.042515386e+01 1.984591491e+01 3.464637388e+01 6.137419718e+01 1.892693672e+01 3.605547938e+01 1.50 6.407534453e+01 2.678871495e+01 5.235359730e+01 6.409006881e+01 6.409923372e+01 1.774598187e+01 3.110321615e+01 5.571269204e+01 1.675304598e+01 3.245804929e+01 1.52 5.829144649e+01 2.382448843e+01 4.741706074e+01 5.830153883e+01 5.831073625e+01 1.583355584e+01 2.787966513e+01 5.053582708e+01 1.478223536e+01 2.917908169e+01 1.54 5.299513384e+01 2.113157736e+01 4.291040460e+01 5.300116115e+01 5.301011769e+01 1.409224895e+01 2.494556579e+01 4.579891695e+01 1.299481751e+01 2.618803085e+01 1.56 4.814163405e+01 1.868656032e+01 3.879484473e+01 4.814450773e+01 4.815296029e+01 1.250716350e+01 2.227274443e+01 4.146253713e+01 1.137319391e+01 2.345845803e+01 1.58 4.369130801e+01 1.646733646e+01 3.503329460e+01 4.369161125e+01 4.369905602e+01 1.106452454e+01 1.983559844e+01 3.749108623e+01 9.901731008e+00 2.096697001e+01 1.60 3.960860913e+01 1.445257001e+01 3.159204339e+01 3.960669185e+01 3.961234506e+01 9.751834325e+00 1.761173254e+01 3.385242507e+01 8.566885329e+00 1.869224588e+01 1.62 3.586171549e+01 1.262210085e+01 2.844148915e+01 3.585801187e+01 3.586102662e+01 8.557751874e+00 1.558202109e+01 3.051793141e+01 7.357075744e+00 1.661486858e+01 1.64 3.242227326e+01 1.095770227e+01 2.555550912e+01 3.241755067e+01 3.241744016e+01 7.471843995e+00 1.372989536e+01 2.746244606e+01 6.262121102e+00 1.471757067e+01 1.66 2.926493502e+01 9.443881942e+00 2.291064739e+01 2.926026431e+01 2.925724685e+01 6.484338609e+00 1.204059705e+01 2.466359381e+01 5.272566066e+00 1.298502583e+01 1.68 2.636684604e+01 8.067767481e+00 2.048600117e+01 2.636342199e+01 2.635844790e+01 5.586232310e+00 1.050081672e+01 2.210096751e+01 4.379389935e+00 1.140344883e+01 1.70 2.370743471e+01 6.818346200e+00 1.826339797e+01 2.370620366e+01 2.370057989e+01 4.769527364e+00 9.098366695e+00 1.975574843e+01 3.574135320e+00 9.960465050e+00 1.72 2.126840123e+01 5.685614315e+00 1.622721406e+01 2.126956256e+01 2.126441076e+01 4.027248274e+00 7.821943739e+00 1.761056632e+01 2.849097796e+00 8.645208511e+00 1.74 1.903334192e+01 4.660005782e+00 1.436355603e+01 1.903613118e+01 1.903205848e+01 3.353109562e+00 6.661206080e+00 1.564920213e+01 2.197307289e+00 7.448157718e+00 1.76 1.698683486e+01 3.732265642e+00 1.265927432e+01 1.698985460e+01 1.698699792e+01 2.741147471e+00 5.606841813e+00 1.385607973e+01 1.612330662e+00 6.360498810e+00 1.78 1.511366937e+01 2.893653480e+00 1.110148327e+01 1.511564854e+01 1.511394071e+01 2.185602626e+00 4.650469329e+00 1.221609848e+01 1.088082586e+00 5.373561398e+00 1.80 1.339875212e+01 2.136252896e+00 9.677813293e+00 1.339919824e+01 1.339860382e+01 1.681156798e+00 3.784480273e+00 1.071506895e+01 6.186859944e-01 4.478793649e+00 1.82 1.182753085e+01 1.453109814e+00 8.376866795e+00 1.182676130e+01 1.182730406e+01 1.223224745e+00 3.001723888e+00 9.340034094e+00 1.984251982e-01 3.668139700e+00 1.84 1.038663562e+01 8.381007022e-01 7.188517647e+00 1.038538408e+01 1.038708212e+01 8.080353868e-01 2.295315570e+00 8.079537431e+00 -1.781307925e-01 2.934376356e+00 1.86 9.064246825e+00 2.857702751e-01 6.103751179e+00 9.063253817e+00 9.066075838e+00 4.323482976e-01 1.658673777e+00 6.923775636e+00 -5.159011928e-01 2.271125175e+00 1.88 7.849812876e+00 -2.087901187e-01 5.114045744e+00 7.849706641e+00 7.853590715e+00 9.296142450e-02 1.085567019e+00 5.864397198e+00 -8.191440558e-01 1.672428472e+00 1.90 6.733982003e+00 -6.500144849e-01 4.211159145e+00 6.735325086e+00 6.740196622e+00 -2.134272564e-01 5.701916086e-01 4.894288249e+00 -1.091386389e+00 1.132540326e+00 1.92 5.708828120e+00 -1.041983441e+00 3.387332161e+00 5.712082292e+00 5.717813694e+00 -4.900352406e-01 1.072161168e-01 4.007307583e+00 -1.335425336e+00 6.459905861e-01 1.94 4.767963576e+00 -1.388649537e+00 2.635538577e+00 4.773297373e+00 4.779636167e+00 -7.397893700e-01 -3.082634461e-01 3.197940744e+00 -1.553496291e+00 2.076719653e-01 1.96 3.906253882e+00 -1.694016482e+00 1.949684107e+00 3.913302211e+00 3.919837844e+00 -9.652035186e-01 -6.807510987e-01 2.460951358e+00 -1.747539921e+00 -1.871068902e-01 1.98 3.119116484e+00 -1.962152770e+00 1.324696207e+00 3.126986919e+00 3.133218307e+00 -1.168387594e+00 -1.014367310e+00 1.791144747e+00 -1.919404049e+00 -5.426294408e-01 2.00 2.401818273e+00 -2.197075242e+00 7.563906939e-01 2.409401395e+00 2.414886951e+00 -1.351171578e+00 -1.312799815e+00 1.183349954e+00 -2.070922773e+00 -8.628348989e-01 2.02 1.749266956e+00 -2.402536432e+00 2.412519839e-01 1.755624381e+00 1.760097277e+00 -1.515112472e+00 -1.579265690e+00 6.326191468e-01 -2.203901501e+00 -1.151312803e+00 2.04 1.156264678e+00 -2.581860038e+00 -2.238739231e-01 1.160869467e+00 1.164241055e+00 -1.661459359e+00 -1.816553707e+00 1.344107027e-01 -2.320066963e+00 -1.411256865e+00 2.06 6.178887680e-01 -2.737907139e+00 -6.420827437e-01 6.206480501e-01 6.229219228e-01 -1.791102672e+00 -2.027149959e+00 -3.153543103e-01 -2.421004152e+00 -1.645395882e+00 2.08 1.297585105e-01 -2.873140621e+00 -1.016622116e+00 1.308499364e-01 1.320209000e-01 -1.904888783e+00 -2.213371005e+00 -7.203380087e-01 -2.508100278e+00 -1.855930118e+00 2.10 -3.118699669e-01 -2.989743026e+00 -1.350963288e+00 -3.122329250e-01 -3.122394947e-01 -2.003805945e+00 -2.377427865e+00 -1.083957782e+00 -2.582505257e+00 -2.044541321e+00 2.12 -7.103018912e-01 -3.089661800e+00 -1.648712088e+00 -7.120078693e-01 -7.133213245e-01 -2.089001016e+00 -2.521422255e+00 -1.409541775e+00 -2.645032783e+00 -2.212541148e+00 2.14 -1.068710006e+00 -3.174626755e+00 -1.913403358e+00 -1.071723882e+00 -1.074443944e+00 -2.161715154e+00 -2.647306502e+00 -1.700352360e+00 -2.696316551e+00 -2.361129099e+00 2.16 -1.390240468e+00 -3.246153225e+00 -2.148301737e+00 -1.394502268e+00 -1.398601104e+00 -2.223185873e+00 -2.756837869e+00 -1.959520325e+00 -2.737026264e+00 -2.491620393e+00 2.18 -1.678030372e+00 -3.305534829e+00 -2.356347232e+00 -1.683367806e+00 -1.688640349e+00 -2.274558998e+00 -2.851565906e+00 -2.189981023e+00 -2.767914625e+00 -2.605519317e+00 2.20 -1.935163777e+00 -3.353838747e+00 -2.540111236e+00 -1.941256494e+00 -1.947332194e+00 -2.316825904e+00 -2.932838295e+00 -2.394444577e+00 -2.789809705e+00 -2.704441439e+00 2.22 -2.164595485e+00 -3.391918789e+00 -2.701796615e+00 -2.171000090e+00 -2.177402628e+00 -2.350808403e+00 -3.001830131e+00 -2.575373308e+00 -2.803579758e+00 -2.789972436e+00 2.24 -2.369064701e+00 -3.420453682e+00 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