# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1990--Ackland-G-J-Vitek-V--Cu-Ag-Au # implementation = 1990--Ackland-G-J--Cu-Ag-Au--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 2023-05-12 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 1.597246754e+02 nan 0.68 nan nan nan nan nan nan nan nan 1.444526728e+02 nan 0.70 nan nan nan nan nan nan nan nan 1.308306408e+02 nan 0.72 nan nan nan nan nan 1.007556133e+02 nan nan 1.186410134e+02 nan 0.74 nan nan nan nan nan 9.122395326e+01 nan nan 1.076772795e+02 nan 0.76 nan nan nan nan nan 8.276524058e+01 nan nan 9.786851459e+01 nan 0.78 nan nan nan nan nan 7.516503227e+01 nan nan 8.912607014e+01 nan 0.80 nan nan nan 1.706043347e+02 1.705941435e+02 6.828257528e+01 nan nan 8.126288815e+01 1.150138694e+02 0.82 nan 1.053673089e+02 nan 1.570192050e+02 1.570292093e+02 6.204630142e+01 1.072382434e+02 nan 7.416811795e+01 1.053934834e+02 0.84 nan 9.668677890e+01 nan 1.447006318e+02 1.447268421e+02 5.641128649e+01 9.840197806e+01 nan 6.773540787e+01 9.662071324e+01 0.86 nan 8.877696735e+01 nan 1.335435102e+02 1.335700141e+02 5.131013263e+01 9.030793669e+01 nan 6.187557733e+01 8.872067994e+01 0.88 nan 8.159074837e+01 nan 1.233388240e+02 1.233419909e+02 4.672552186e+01 8.292271245e+01 nan 5.653020207e+01 8.163360589e+01 0.90 nan 7.506373497e+01 nan 1.140015091e+02 1.139792797e+02 4.265170466e+01 7.628393737e+01 nan 5.164797953e+01 7.517488606e+01 0.92 1.056136316e+02 6.908014796e+01 9.546619881e+01 1.055139422e+02 1.054714483e+02 3.896432908e+01 7.027974592e+01 9.846148470e+01 4.719565670e+01 6.920809527e+01 0.94 9.781614483e+01 6.355382946e+01 8.838087120e+01 9.775707951e+01 9.771713726e+01 3.557538908e+01 6.476507722e+01 9.110793310e+01 4.311506022e+01 6.371212534e+01 0.96 9.062696231e+01 5.848936144e+01 8.174666844e+01 9.062951918e+01 9.062286452e+01 3.241455332e+01 5.969227679e+01 8.431567953e+01 3.938169918e+01 5.868687360e+01 0.98 8.397423228e+01 5.384766335e+01 7.557845216e+01 8.404188388e+01 8.406654484e+01 2.947614064e+01 5.503360038e+01 7.804836617e+01 3.598967318e+01 5.406032716e+01 1.00 7.785575963e+01 4.963173074e+01 6.995428343e+01 7.794228152e+01 7.798232303e+01 2.682351845e+01 5.075869505e+01 7.229971709e+01 3.292252333e+01 4.977309987e+01 1.02 7.226018938e+01 4.575010773e+01 6.479235602e+01 7.231720369e+01 7.236290946e+01 2.445330365e+01 4.680191890e+01 6.703283870e+01 3.012814478e+01 4.581567747e+01 1.04 6.709869596e+01 4.215936549e+01 6.003013620e+01 6.713822035e+01 6.718222333e+01 2.229876573e+01 4.311981748e+01 6.219036267e+01 2.755598069e+01 4.219618988e+01 1.06 6.235051575e+01 3.888056391e+01 5.568566409e+01 6.236591521e+01 6.238864574e+01 2.033349234e+01 3.971418632e+01 5.774335964e+01 2.518576449e+01 3.890950295e+01 1.08 5.797603679e+01 3.585515440e+01 5.171558388e+01 5.794574300e+01 5.793200845e+01 1.854728769e+01 3.659599158e+01 5.363423078e+01 2.300545699e+01 3.591887018e+01 1.10 5.389893477e+01 3.306048761e+01 4.802833720e+01 5.383815674e+01 5.379679662e+01 1.689741302e+01 3.375967921e+01 4.981665471e+01 2.102185399e+01 3.314069395e+01 1.12 5.013073670e+01 3.050892623e+01 4.459114915e+01 5.005081023e+01 4.999900478e+01 1.535405428e+01 3.115200906e+01 4.627534496e+01 1.921247645e+01 3.053079681e+01 1.14 4.666947694e+01 2.814478080e+01 4.141297222e+01 4.657424167e+01 4.651985892e+01 1.390511515e+01 2.872118168e+01 4.298976403e+01 1.754294457e+01 2.807517951e+01 1.16 4.342206134e+01 2.591205872e+01 3.849155696e+01 4.335480197e+01 4.331149201e+01 1.255196196e+01 2.645391577e+01 3.991197365e+01 1.600483254e+01 2.581029483e+01 1.18 4.033855885e+01 2.382460391e+01 3.577500186e+01 4.034189600e+01 4.031951340e+01 1.129881534e+01 2.435108294e+01 3.703410680e+01 1.458514796e+01 2.376360845e+01 1.20 3.745529175e+01 2.191277771e+01 3.322908260e+01 3.752616497e+01 3.752802404e+01 1.015024681e+01 2.239974896e+01 3.436644359e+01 1.326306477e+01 2.189785914e+01 1.22 3.481902031e+01 2.015223459e+01 3.081365445e+01 3.490274683e+01 3.492480093e+01 9.088908390e+00 2.058726495e+01 3.190899671e+01 1.203257067e+01 2.019693645e+01 1.24 3.238648179e+01 1.850190898e+01 2.850607584e+01 3.245053697e+01 3.248683578e+01 8.084909015e+00 1.891433542e+01 2.962451787e+01 1.089111864e+01 1.863180623e+01 1.26 3.011849138e+01 1.695656496e+01 2.635498268e+01 3.016103243e+01 3.020609917e+01 7.146043976e+00 1.738785654e+01 2.749358922e+01 9.828678056e+00 1.717430465e+01 1.28 2.800665358e+01 1.552925637e+01 2.440269021e+01 2.803102510e+01 2.808107047e+01 6.289075529e+00 1.600730501e+01 2.550876669e+01 8.844537250e+00 1.581017893e+01 1.30 2.603087991e+01 1.422935429e+01 2.261730771e+01 2.604694852e+01 2.609954907e+01 5.511420166e+00 1.473468409e+01 2.366730470e+01 7.929982956e+00 1.453177330e+01 1.32 2.418978729e+01 1.304473619e+01 2.095317800e+01 2.419117622e+01 2.423595997e+01 4.796775599e+00 1.354400127e+01 2.194873507e+01 7.068095976e+00 1.334209541e+01 1.34 2.246771137e+01 1.194250410e+01 1.940462546e+01 2.245242471e+01 2.247768157e+01 4.146714556e+00 1.242806546e+01 2.033265266e+01 6.261731913e+00 1.222775679e+01 1.36 2.084875083e+01 1.090243851e+01 1.796052690e+01 2.082409220e+01 2.082169363e+01 3.554547768e+00 1.138238247e+01 1.881607543e+01 5.518059910e+00 1.117498570e+01 1.38 1.933512516e+01 9.917484902e+00 1.660033114e+01 1.930749591e+01 1.927825277e+01 3.004112998e+00 1.040285469e+01 1.740525025e+01 4.831938161e+00 1.018767805e+01 1.40 1.791675547e+01 8.993444690e+00 1.531175017e+01 1.789281413e+01 1.784851564e+01 2.487233281e+00 9.482896490e+00 1.609242921e+01 4.193588079e+00 9.257419564e+00 1.42 1.657650229e+01 8.141856886e+00 1.409518390e+01 1.656971548e+01 1.652608917e+01 2.002760615e+00 8.621009697e+00 1.486815713e+01 3.595001493e+00 8.366598438e+00 1.44 1.532809055e+01 7.362280715e+00 1.296342856e+01 1.533305193e+01 1.529449071e+01 1.555806758e+00 7.807285670e+00 1.373347567e+01 3.034447296e+00 7.526131707e+00 1.46 1.418742247e+01 6.639008756e+00 1.192827440e+01 1.418391008e+01 1.414841296e+01 1.150969793e+00 7.034284200e+00 1.268704396e+01 2.512930532e+00 6.751187253e+00 1.48 1.313883769e+01 5.957841772e+00 1.097652099e+01 1.311552556e+01 1.308307566e+01 7.804135245e-01 6.305255035e+00 1.171076729e+01 2.031067142e+00 6.033570657e+00 1.50 1.215309207e+01 5.308884872e+00 1.008587016e+01 1.211667600e+01 1.209076796e+01 4.348978017e-01 5.622147318e+00 1.078498650e+01 1.585137775e+00 5.355404073e+00 1.52 1.122178570e+01 4.691372360e+00 9.258637220e+00 1.118519488e+01 1.116823474e+01 1.229107982e-01 4.986299495e+00 9.901656151e+00 1.172478786e+00 4.718900723e+00 1.54 1.033946334e+01 4.106361552e+00 8.499192412e+00 1.031044413e+01 1.030312832e+01 -1.454610256e-01 4.394592552e+00 9.056299059e+00 7.863346762e-01 4.129028716e+00 1.56 9.498658705e+00 3.555681052e+00 7.802714830e+00 9.479039646e+00 9.481358520e+00 -3.687951253e-01 3.838443830e+00 8.249917100e+00 4.216189035e-01 3.586654285e+00 1.58 8.687245604e+00 3.039223603e+00 7.146538910e+00 8.682757233e+00 8.696196315e+00 -5.636069996e-01 3.311893430e+00 7.486393967e+00 7.788613832e-02 3.082652429e+00 1.60 7.902455057e+00 2.565100203e+00 6.516156065e+00 7.920238396e+00 7.945728528e+00 -7.391193755e-01 2.814328133e+00 6.776647879e+00 -2.408926879e-01 2.611112667e+00 1.62 7.160107911e+00 2.136864201e+00 5.903190217e+00 7.200984541e+00 7.235804625e+00 -8.989147827e-01 2.344060379e+00 6.124921210e+00 -5.298973300e-01 2.169219282e+00 1.64 6.478493731e+00 1.748029459e+00 5.302877346e+00 6.532543698e+00 6.570584184e+00 -1.046491888e+00 1.897447457e+00 5.530866332e+00 -7.875805993e-01 1.754063737e+00 1.66 5.870309875e+00 1.386143580e+00 4.718999900e+00 5.920236940e+00 5.954812707e+00 -1.184840851e+00 1.474003210e+00 4.984397885e+00 -1.018056439e+00 1.362716656e+00 1.68 5.316498983e+00 1.044902166e+00 4.160640202e+00 5.353207405e+00 5.381785904e+00 -1.314939470e+00 1.076146742e+00 4.471211296e+00 -1.227247142e+00 9.922710436e-01 1.70 4.796526652e+00 7.212820967e-01 3.641902701e+00 4.821240134e+00 4.845099551e+00 -1.434138306e+00 7.074187432e-01 3.986042354e+00 -1.417300281e+00 6.398434901e-01 1.72 4.305867558e+00 4.130068760e-01 3.163548033e+00 4.320783962e+00 4.339448352e+00 -1.539129091e+00 3.693977537e-01 3.528115326e+00 -1.592913143e+00 3.031907934e-01 1.74 3.842559820e+00 1.176120226e-01 2.723674450e+00 3.849359311e+00 3.860288813e+00 -1.627103622e+00 6.048584871e-02 3.096168217e+00 -1.756825668e+00 -1.446422527e-02 1.76 3.405331896e+00 -1.672088062e-01 2.316142672e+00 3.403968146e+00 3.404587414e+00 -1.701274245e+00 -2.244445400e-01 2.687624821e+00 -1.908427622e+00 -3.074700888e-01 1.78 2.992907412e+00 -4.432916425e-01 1.930078666e+00 2.981362106e+00 2.970226080e+00 -1.767677694e+00 -4.893374392e-01 2.296112299e+00 -2.045470879e+00 -5.702277392e-01 1.80 2.601768198e+00 -7.119401214e-01 1.562369402e+00 2.579847479e+00 2.557935990e+00 -1.828498144e+00 -7.364716147e-01 1.917812104e+00 -2.166522778e+00 -8.038989751e-01 1.82 2.224812195e+00 -9.729634730e-01 1.211873361e+00 2.195624065e+00 2.166435935e+00 -1.884865492e+00 -9.681031848e-01 1.553131515e+00 -2.272221296e+00 -1.020611531e+00 1.84 1.857894823e+00 -1.225117282e+00 8.786839685e-01 1.826997997e+00 1.796101172e+00 -1.936648827e+00 -1.185954416e+00 1.203403004e+00 -2.364736561e+00 -1.227250285e+00 1.86 1.499359775e+00 -1.464302216e+00 5.636875341e-01 1.471583389e+00 1.443807002e+00 -1.982923622e+00 -1.390392839e+00 8.692940803e-01 -2.445634079e+00 -1.425907881e+00 1.88 1.148105789e+00 -1.687149793e+00 2.677986815e-01 1.126363135e+00 1.104620482e+00 -2.022736126e+00 -1.581598039e+00 5.484917727e-01 -2.515333611e+00 -1.618065167e+00 1.90 8.076989750e-01 -1.891414240e+00 -8.666832256e-03 7.934537185e-01 7.792084621e-01 -2.055712605e+00 -1.759833293e+00 2.411377677e-01 -2.576481162e+00 -1.800537965e+00 1.92 4.841982397e-01 -2.075303696e+00 -2.682338745e-01 4.772598219e-01 4.703214042e-01 -2.084208125e+00 -1.927021990e+00 -4.951744839e-02 -2.630448968e+00 -1.967581065e+00 1.94 1.833007188e-01 -2.241252877e+00 -5.137469131e-01 1.819377213e-01 1.805747238e-01 -2.110626359e+00 -2.085540213e+00 -3.200324751e-01 -2.676489772e+00 -2.113607251e+00 1.96 -9.079353415e-02 -2.391102473e+00 -7.459360568e-01 -8.942090777e-02 -8.804828140e-02 -2.135223626e+00 -2.234261747e+00 -5.696564495e-01 -2.713755478e+00 -2.234491314e+00 1.98 -3.433353813e-01 -2.526586729e+00 -9.651592600e-01 -3.408012405e-01 -3.382670996e-01 -2.157887577e+00 -2.370477675e+00 -8.032615616e-01 -2.741638476e+00 -2.335561175e+00 2.00 -5.820804046e-01 -2.649875823e+00 -1.171893542e+00 -5.780965325e-01 -5.741126605e-01 -2.178561288e+00 -2.492761991e+00 -1.025196095e+00 -2.761543283e+00 -2.424658424e+00 2.02 -8.092795268e-01 -2.761794629e+00 -1.367328260e+00 -8.032494071e-01 -7.972192874e-01 -2.197539444e+00 -2.601730078e+00 -1.236818640e+00 -2.775797140e+00 -2.504152932e+00 2.04 -1.025703655e+00 -2.862827110e+00 -1.552894884e+00 -1.017152788e+00 -1.008601920e+00 -2.215232764e+00 -2.698478710e+00 -1.438783483e+00 -2.785489599e+00 -2.574948976e+00 2.06 -1.232108567e+00 -2.953714702e+00 -1.730013872e+00 -1.220685282e+00 -1.209261997e+00 -2.232040970e+00 -2.782858389e+00 -1.630444055e+00 -2.791239649e+00 -2.637942984e+00 2.08 -1.429241915e+00 -3.035421631e+00 -1.900093649e+00 -1.414717165e+00 -1.400192414e+00 -2.248351810e+00 -2.853525013e+00 -1.810656538e+00 -2.793660251e+00 -2.694026250e+00 2.10 -1.617757724e+00 -3.108839725e+00 -2.064420566e+00 -1.600055986e+00 -1.582354247e+00 -2.264540208e+00 -2.911131774e+00 -1.978237897e+00 -2.793357103e+00 -2.744036007e+00 2.12 -1.796703413e+00 -3.174049153e+00 -2.223167432e+00 -1.776308387e+00 -1.755913362e+00 -2.280967408e+00 -2.959673524e+00 -2.131538594e+00 -2.790810433e+00 -2.788001102e+00 2.14 -1.964165663e+00 -3.230784207e+00 -2.375856321e+00 -1.942358214e+00 -1.920550764e+00 -2.297980127e+00 -3.002246326e+00 -2.270817476e+00 -2.786295550e+00 -2.825468606e+00 2.16 -2.118212071e+00 -3.278841987e+00 -2.521986310e+00 -2.097072505e+00 -2.075932938e+00 -2.315909701e+00 -3.039830358e+00 -2.397910371e+00 -2.780107026e+00 -2.855974501e+00 2.18 -2.256946528e+00 -3.318034177e+00 -2.661069596e+00 -2.239342808e+00 -2.221739088e+00 -2.335071090e+00 -3.072755457e+00 -2.513562167e+00 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