# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2021--Deluigi-O-R-Pasianot-R-C-Valencia-F-J-et-al--Fe-Ni-Cr-Co-Cu # implementation = 2021--Deluigi-O-R--Fe-Ni-Cr-Co-Cu--LAMMPS--ipr1 # composition = Ni # 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 2024-11-27 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 -4.853068267e+01 nan 0.76 nan nan nan nan nan nan nan nan -6.990478649e+01 nan 0.78 nan nan nan nan nan nan nan nan -8.556274076e+01 nan 0.80 nan nan nan nan nan -7.454738689e+01 nan nan -9.666765277e+01 nan 0.82 nan nan nan nan nan -8.530419883e+01 nan nan -1.042737100e+02 nan 0.84 nan nan nan nan nan -9.175037585e+01 nan nan -1.090123566e+02 nan 0.86 nan nan nan nan nan -9.466608435e+01 nan nan -1.114132742e+02 nan 0.88 nan nan nan nan nan -9.466753085e+01 nan nan -1.119644168e+02 nan 0.90 nan -1.297469212e+02 nan -1.396319461e+02 -1.400252143e+02 -9.220753553e+01 nan nan -1.111362676e+02 -1.244078877e+02 0.92 nan -1.270550482e+02 nan -1.420635184e+02 -1.423857861e+02 -8.793163192e+01 -1.262769179e+02 nan -1.093587765e+02 -1.250856923e+02 0.94 nan -1.242853791e+02 nan -1.417389472e+02 -1.419113215e+02 -8.254767227e+01 -1.251892580e+02 nan -1.069138452e+02 -1.241489509e+02 0.96 nan -1.216153901e+02 nan -1.396244317e+02 -1.396139313e+02 -7.643243412e+01 -1.234113438e+02 nan -1.039830425e+02 -1.221004982e+02 0.98 nan -1.190380903e+02 nan -1.365461847e+02 -1.363332816e+02 -6.990092363e+01 -1.210804990e+02 nan -1.006809917e+02 -1.194412697e+02 1.00 nan -1.164852749e+02 nan -1.331831657e+02 -1.328074216e+02 -6.326159686e+01 -1.184306224e+02 nan -9.716542552e+01 -1.165238222e+02 1.02 -1.303613351e+02 -1.140127422e+02 -1.256886093e+02 -1.300771234e+02 -1.296198378e+02 -5.676037155e+01 -1.156781790e+02 -1.275826518e+02 -9.349440495e+01 -1.136715943e+02 1.04 -1.275530394e+02 -1.116744320e+02 -1.229356461e+02 -1.273201250e+02 -1.268962207e+02 -5.057621576e+01 -1.129307339e+02 -1.249604786e+02 -8.959762859e+01 -1.108329960e+02 1.06 -1.250152003e+02 -1.094252056e+02 -1.204861631e+02 -1.248122518e+02 -1.245125015e+02 -4.489209239e+01 -1.102160750e+02 -1.224175013e+02 -8.543529265e+01 -1.080118501e+02 1.08 -1.225702999e+02 -1.072027362e+02 -1.183724131e+02 -1.224258739e+02 -1.222971484e+02 -3.984723264e+01 -1.075570780e+02 -1.198603025e+02 -8.103645784e+01 -1.052585453e+02 1.10 -1.200702007e+02 -1.050062595e+02 -1.164472210e+02 -1.200428410e+02 -1.201016113e+02 -3.549225813e+01 -1.049668201e+02 -1.172554509e+02 -7.643169272e+01 -1.024703994e+02 1.12 -1.174817573e+02 -1.028320220e+02 -1.145343675e+02 -1.176218102e+02 -1.178588951e+02 -3.181351332e+01 -1.024177013e+02 -1.146435782e+02 -7.164884743e+01 -9.952766812e+01 1.14 -1.148727004e+02 -1.006804753e+02 -1.125334280e+02 -1.151763886e+02 -1.155438147e+02 -2.875268166e+01 -9.982252529e+01 -1.121342148e+02 -6.670939181e+01 -9.636082730e+01 1.16 -1.123688012e+02 -9.851381050e+01 -1.104037686e+02 -1.127809793e+02 -1.132010885e+02 -2.617951979e+01 -9.709857823e+01 -1.098603784e+02 -6.168278687e+01 -9.292544231e+01 1.18 -1.100790570e+02 -9.633394606e+01 -1.081643637e+02 -1.105202781e+02 -1.109123635e+02 -2.399512047e+01 -9.421168517e+01 -1.078855079e+02 -5.668476887e+01 -8.919895573e+01 1.20 -1.080910818e+02 -9.409755427e+01 -1.058820540e+02 -1.084510995e+02 -1.087406318e+02 -2.213744246e+01 -9.113903834e+01 -1.061750582e+02 -5.181647497e+01 -8.518925138e+01 1.22 -1.064256678e+02 -9.170284427e+01 -1.036721610e+02 -1.065909861e+02 -1.067183265e+02 -2.058005173e+01 -8.786565267e+01 -1.046025081e+02 -4.712709272e+01 -8.090477461e+01 1.24 -1.049340368e+02 -8.904983003e+01 -1.016689056e+02 -1.048651972e+02 -1.048080687e+02 -1.931314675e+01 -8.437351711e+01 -1.030363353e+02 -4.265867202e+01 -7.637665992e+01 1.26 -1.034764898e+02 -8.606026828e+01 -9.988305960e+01 -1.031889480e+02 -1.029562646e+02 -1.830489675e+01 -8.063901537e+01 -1.013907262e+02 -3.843635677e+01 -7.167885677e+01 1.28 -1.019160586e+02 -8.270681471e+01 -9.822776061e+01 -1.014817931e+02 -1.011119385e+02 -1.748903984e+01 -7.664001269e+01 -9.960710924e+01 -3.447094034e+01 -6.687712307e+01 1.30 -1.001796351e+02 -7.901891627e+01 -9.654711418e+01 -9.968940144e+01 -9.923604447e+01 -1.675319250e+01 -7.236128593e+01 -9.765926981e+01 -3.078029705e+01 -6.207116175e+01 1.32 -9.827256052e+01 -7.505400491e+01 -9.474844157e+01 -9.779322753e+01 -9.730947359e+01 -1.601950341e+01 -6.782525001e+01 -9.554451995e+01 -2.739019082e+01 -5.736244214e+01 1.34 -9.619979400e+01 -7.086107248e+01 -9.277074626e+01 -9.577567804e+01 -9.531877539e+01 -1.523355822e+01 -6.308356571e+01 -9.326525216e+01 -2.430941072e+01 -5.279039781e+01 1.36 -9.395513308e+01 -6.648628482e+01 -9.054291722e+01 -9.362009052e+01 -9.324491682e+01 -1.433978004e+01 -5.820835000e+01 -9.081568288e+01 -2.152789132e+01 -4.838197704e+01 1.38 -9.154289463e+01 -6.197849760e+01 -8.801822868e+01 -9.132081207e+01 -9.106724832e+01 -1.330026619e+01 -5.330029571e+01 -8.817004713e+01 -1.902180561e+01 -4.417439451e+01 1.40 -8.897514416e+01 -5.738739712e+01 -8.519028565e+01 -8.887781358e+01 -8.876714932e+01 -1.210602734e+01 -4.845479419e+01 -8.530840924e+01 -1.675013366e+01 -4.021828078e+01 1.42 -8.626656713e+01 -5.273268657e+01 -8.205740230e+01 -8.628911754e+01 -8.632122282e+01 -1.074629835e+01 -4.373265615e+01 -8.222669976e+01 -1.467100108e+01 -3.657769813e+01 1.44 -8.340160565e+01 -4.803136936e+01 -7.861552525e+01 -8.353202475e+01 -8.369084931e+01 -9.211323350e+00 -3.919020978e+01 -7.891600876e+01 -1.274369108e+01 -3.329540274e+01 1.46 -8.030275453e+01 -4.330612894e+01 -7.485259668e+01 -8.054176044e+01 -8.081015821e+01 -7.493333476e+00 -3.488387121e+01 -7.536253659e+01 -1.092355935e+01 -3.033733385e+01 1.48 -7.694312688e+01 -3.859005440e+01 -7.075765071e+01 -7.728914408e+01 -7.764591882e+01 -5.598894108e+00 -3.084440974e+01 -7.158541870e+01 -9.167347419e+00 -2.765833092e+01 1.50 -7.335658036e+01 -3.391405519e+01 -6.633793155e+01 -7.378522615e+01 -7.420108358e+01 -3.928324391e+00 -2.707580669e+01 -6.761959350e+01 -7.438825099e+00 -2.520961839e+01 1.52 -6.958357564e+01 -2.930272586e+01 -6.162930442e+01 -7.005119176e+01 -7.049324580e+01 -2.631356839e+00 -2.357898180e+01 -6.349865776e+01 -5.945115967e+00 -2.294657295e+01 1.54 -6.564870851e+01 -2.478433791e+01 -5.668828528e+01 -6.610981797e+01 -6.654682185e+01 -1.660110755e+00 -2.035070575e+01 -5.924968576e+01 -4.818370081e+00 -2.082317852e+01 1.56 -6.156904781e+01 -2.039262395e+01 -5.159408225e+01 -6.198696188e+01 -6.239016080e+01 -9.777080550e-01 -1.738107521e+01 -5.489730507e+01 -3.968641585e+00 -1.879516398e+01 1.58 -5.736840751e+01 -1.616912662e+01 -4.644530814e+01 -5.771709082e+01 -5.806028135e+01 -5.445549595e-01 -1.465977503e+01 -5.046590633e+01 -3.331808102e+00 -1.682483910e+01 1.60 -5.308283344e+01 -1.215282748e+01 -4.133616308e+01 -5.334315036e+01 -5.360347922e+01 -3.141642159e-01 -1.217234983e+01 -4.598764398e+01 -2.862741908e+00 -1.489763203e+01 1.62 -4.873920026e+01 -8.388078260e+00 -3.633232832e+01 -4.889726460e+01 -4.905925273e+01 -2.291121166e-01 -9.898548979e+00 -4.148811124e+01 -2.528816056e+00 -1.300455620e+01 1.64 -4.435971457e+01 -5.387334614e+00 -3.148427639e+01 -4.440896234e+01 -4.446673610e+01 -2.245142659e-01 -7.871633494e+00 -3.699332458e+01 -2.304594286e+00 -1.113336027e+01 1.66 -3.996831821e+01 -3.322222632e+00 -2.684520986e+01 -3.991713950e+01 -3.987835621e+01 -2.387710859e-01 -6.347872090e+00 -3.253308170e+01 -2.166616480e+00 -9.299709507e+00 1.68 -3.558857443e+01 -2.016438649e+00 -2.245058441e+01 -3.545600204e+01 -3.533737348e+01 -2.182117552e-01 -5.231946965e+00 -2.814321108e+01 -2.094222905e+00 -7.743411495e+00 1.70 -3.124657467e+01 -1.262082814e+00 -1.830689354e+01 -3.105331587e+01 -3.087265815e+01 -1.607688240e-01 -4.411380593e+00 -2.386344364e+01 -2.069199934e+00 -6.463806797e+00 1.72 -2.696867049e+01 -8.967652206e-01 -1.441769346e+01 -2.673707400e+01 -2.651417241e+01 -1.665403997e-01 -3.808748450e+00 -1.973170124e+01 -2.073007364e+00 -5.407148005e+00 1.74 -2.278533995e+01 -7.969918654e-01 -1.078667218e+01 -2.253763795e+01 -2.229352270e+01 -2.607839785e-01 -3.369464011e+00 -1.577827012e+01 -2.086368803e+00 -4.539928133e+00 1.76 -1.874224258e+01 -8.742195532e-01 -7.452445593e+00 -1.849694215e+01 -1.824957312e+01 -4.010132981e-01 -3.054960800e+00 -1.203831705e+01 -2.091006332e+00 -3.846311638e+00 1.78 -1.488072516e+01 -1.062909571e+00 -4.935601004e+00 -1.464946593e+01 -1.441125608e+01 -5.489408250e-01 -2.835462675e+00 -8.539330993e+00 -2.069154950e+00 -3.310763448e+00 1.80 -1.123211925e+01 -1.312804157e+00 -3.222781368e+00 -1.101923782e+01 -1.079680718e+01 -6.784835408e-01 -2.687933575e+00 -5.712831226e+00 -2.027193503e+00 -2.912557241e+00 1.82 -7.852201649e+00 -1.586552484e+00 -2.107334975e+00 -7.670891693e+00 -7.480581118e+00 -7.892257637e-01 -2.596215810e+00 -3.761498636e+00 -2.008764867e+00 -2.630388438e+00 1.84 -5.271602839e+00 -1.859324724e+00 -1.428398667e+00 -5.137229073e+00 -4.997540779e+00 -8.846293806e-01 -2.548065131e+00 -2.460852982e+00 -2.043044477e+00 -2.441448534e+00 1.86 -3.496675388e+00 -2.116010261e+00 -1.061265459e+00 -3.390472243e+00 -3.284654151e+00 -9.673470091e-01 -2.534158338e+00 -1.629548324e+00 -2.117742200e+00 -2.320326922e+00 1.88 -2.309785428e+00 -2.352264449e+00 -9.122720865e-01 -2.222094058e+00 -2.139825013e+00 -1.041292452e+00 -2.547269462e+00 -1.132713552e+00 -2.214932609e+00 -2.243466319e+00 1.90 -1.547383773e+00 -2.570435924e+00 -9.122094576e-01 -1.474715581e+00 -1.409810754e+00 -1.110945845e+00 -2.579282639e+00 -8.733188586e-01 -2.318298113e+00 -2.192427022e+00 1.92 -1.089814061e+00 -2.774055035e+00 -1.010789259e+00 -1.030757283e+00 -9.791497670e-01 -1.180493000e+00 -2.619533466e+00 -7.823819288e-01 -2.413345185e+00 -2.154016425e+00 1.94 -8.508371287e-01 -2.963775092e+00 -1.174269024e+00 -8.037983300e-01 -7.626010089e-01 -1.253219708e+00 -2.657109432e+00 -8.116885081e-01 -2.493250483e+00 -2.117969396e+00 1.96 -7.684976469e-01 -3.137749467e+00 -1.378487370e+00 -7.316909830e-01 -6.988305633e-01 -1.329882617e+00 -2.682357756e+00 -9.271516250e-01 -2.560259587e+00 -2.075006222e+00 1.98 -7.969759526e-01 -3.294735882e+00 -1.604399335e+00 -7.694173504e-01 -7.437382320e-01 -1.409813120e+00 -2.690478543e+00 -1.102077372e+00 -2.618042466e+00 -2.035982145e+00 2.00 -9.048403528e-01 -3.436646304e+00 -1.839562173e+00 -8.865624521e-01 -8.676674208e-01 -1.492782803e+00 -2.698143598e+00 -1.317312491e+00 -2.670885854e+00 -2.032411502e+00 2.02 -1.071091116e+00 -3.566645715e+00 -2.075781065e+00 -1.062557014e+00 -1.050380580e+00 -1.578668644e+00 -2.728113972e+00 -1.558525131e+00 -2.722797361e+00 -2.086051841e+00 2.04 -1.278684533e+00 -3.686172058e+00 -2.306249125e+00 -1.279313717e+00 -1.273617362e+00 -1.666692803e+00 -2.794119151e+00 -1.813346362e+00 -2.775730175e+00 -2.187020327e+00 2.06 -1.514745376e+00 -3.795265807e+00 -2.527129910e+00 -1.522202056e+00 -1.522446995e+00 -1.756535981e+00 -2.889282880e+00 -2.070675381e+00 -2.829628764e+00 -2.319603874e+00 2.08 -1.767479256e+00 -3.893218950e+00 -2.736541478e+00 -1.778947047e+00 -1.784620524e+00 -1.847538060e+00 -3.002944434e+00 -2.320740315e+00 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