# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Kim-Y-K-Kim-H-K-Jung-W-S-Lee-B-J--Ni-Al-Ti # implementation = 2017--Kim-Y-K--Ni-Al-Ti--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 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 nan nan 0.78 nan nan nan nan nan 2.177037095e+02 nan nan nan nan 0.80 nan nan nan nan nan 2.034952690e+02 nan nan nan nan 0.82 nan nan nan nan nan 1.901502163e+02 nan nan 2.197520541e+02 nan 0.84 nan nan nan nan nan 1.776182618e+02 nan nan 2.038595687e+02 nan 0.86 nan nan nan nan nan 1.658519523e+02 nan nan 1.890462041e+02 nan 0.88 nan nan nan nan nan 1.548065153e+02 nan nan 1.752404977e+02 nan 0.90 nan 3.275555443e+02 nan nan nan 1.444397110e+02 nan nan 1.623756887e+02 2.204335114e+02 0.92 nan 3.028069091e+02 nan nan nan 1.347116938e+02 2.419321018e+02 nan 1.503894064e+02 2.056385791e+02 0.94 nan 2.798089793e+02 nan nan nan 1.255848794e+02 2.244891024e+02 nan 1.392233785e+02 1.917602953e+02 0.96 nan 2.584421155e+02 nan nan nan 1.170238208e+02 2.082223412e+02 nan 1.288231603e+02 1.787443220e+02 0.98 nan 2.385946945e+02 3.130299414e+02 nan nan 1.089950897e+02 1.930546910e+02 nan 1.191378814e+02 1.665394431e+02 1.00 nan 2.201625756e+02 2.911520565e+02 nan 3.218106101e+02 1.014671649e+02 1.789140270e+02 3.004641561e+02 1.101200102e+02 1.550973893e+02 1.02 3.002035449e+02 2.030486036e+02 2.706991806e+02 3.002378984e+02 3.002722519e+02 9.441032655e+01 1.657329022e+02 2.798393908e+02 1.017251336e+02 1.443726725e+02 1.04 2.800035092e+02 1.871621442e+02 2.515821446e+02 2.800374615e+02 2.800714139e+02 8.779655627e+01 1.534482454e+02 2.605264225e+02 9.391175236e+01 1.343224299e+02 1.06 2.610615845e+02 1.724186509e+02 2.337171980e+02 2.610951381e+02 2.611286918e+02 8.159944237e+01 1.420010771e+02 2.424454338e+02 8.664108936e+01 1.249062762e+02 1.08 2.433029214e+02 1.587392604e+02 2.170256875e+02 2.433360787e+02 2.433692361e+02 7.579409064e+01 1.313362446e+02 2.255213092e+02 7.987691130e+01 1.160861639e+02 1.10 2.266569713e+02 1.460504156e+02 2.014337540e+02 2.266897347e+02 2.267224981e+02 7.035703958e+01 1.214021738e+02 2.096833648e+02 7.358536204e+01 1.078262517e+02 1.12 2.110572462e+02 1.342835131e+02 1.868720478e+02 2.110896180e+02 2.111219899e+02 6.526618043e+01 1.121506379e+02 1.948650935e+02 6.773480694e+01 1.000927799e+02 1.14 1.964410925e+02 1.233745746e+02 1.732754597e+02 1.964730751e+02 1.965050577e+02 6.050068160e+01 1.035365403e+02 1.810039248e+02 6.229568788e+01 9.285395276e+01 1.16 1.827494758e+02 1.132639391e+02 1.605828686e+02 1.827810715e+02 1.828126672e+02 5.604091707e+01 9.551771227e+01 1.680409979e+02 5.724038742e+01 8.607982715e+01 1.18 1.699267781e+02 1.038959772e+02 1.487369027e+02 1.699579892e+02 1.699892004e+02 5.186839873e+01 8.805472336e+01 1.559209477e+02 5.254310229e+01 7.974220773e+01 1.20 1.579206066e+02 9.521882261e+01 1.376837159e+02 1.579514355e+02 1.579822645e+02 4.796571262e+01 8.111070466e+01 1.445917026e+02 4.817972506e+01 7.381454782e+01 1.22 1.466816117e+02 8.718412218e+01 1.273727764e+02 1.467120608e+02 1.467425098e+02 4.431645826e+01 7.465118315e+01 1.340042942e+02 4.412773354e+01 6.827185550e+01 1.24 1.361633161e+02 7.974680266e+01 1.177566681e+02 1.361933875e+02 1.362234589e+02 4.090519170e+01 6.864392705e+01 1.241126778e+02 4.036608755e+01 6.309060532e+01 1.26 1.263219526e+02 7.286485238e+01 1.087909033e+02 1.263516486e+02 1.263813447e+02 3.771737149e+01 6.305880115e+01 1.148735624e+02 3.687513244e+01 5.824865468e+01 1.28 1.171163107e+02 6.649911756e+01 1.004337469e+02 1.171456337e+02 1.171749567e+02 3.473930756e+01 5.786763153e+01 1.062462507e+02 3.363650873e+01 5.372516486e+01 1.30 1.085075927e+02 6.061311202e+01 9.264605065e+01 1.085365449e+02 1.085654971e+02 3.195811315e+01 5.304407911e+01 9.819248869e+01 3.063306792e+01 4.950052662e+01 1.32 1.004592762e+02 5.517283951e+01 8.539109689e+01 1.004878599e+02 1.005164436e+02 2.936165912e+01 4.856352133e+01 9.067632318e+01 2.784879360e+01 4.555628976e+01 1.34 9.293698537e+01 5.014662752e+01 7.863445194e+01 9.296520275e+01 9.299342013e+01 2.693853093e+01 4.440294142e+01 8.366396730e+01 2.526872773e+01 4.187509671e+01 1.36 8.590836866e+01 4.550497236e+01 7.234382807e+01 8.593622197e+01 8.596407529e+01 2.467798801e+01 4.054082505e+01 7.712367420e+01 2.287890179e+01 3.844061985e+01 1.38 7.934298358e+01 4.122039415e+01 6.648895331e+01 7.937047505e+01 7.939796651e+01 2.256992528e+01 3.695706337e+01 7.102561764e+01 2.066627225e+01 3.523750227e+01 1.40 7.321218772e+01 3.726730154e+01 6.104144925e+01 7.323931954e+01 7.326645136e+01 2.060483683e+01 3.363286246e+01 6.534177942e+01 1.861866038e+01 3.225130187e+01 1.42 6.748903597e+01 3.362186530e+01 5.597471609e+01 6.751581035e+01 6.754258473e+01 1.877378175e+01 3.055065865e+01 6.004584325e+01 1.672469592e+01 2.946843868e+01 1.44 6.214818314e+01 3.026190021e+01 5.126382423e+01 6.217460227e+01 6.220102139e+01 1.706835159e+01 2.769403912e+01 5.511309469e+01 1.497376432e+01 2.687614498e+01 1.46 5.716579236e+01 2.716675474e+01 4.688541265e+01 5.719185840e+01 5.721792444e+01 1.548063988e+01 2.504766775e+01 5.052032684e+01 1.335595747e+01 2.446241837e+01 1.48 5.251944836e+01 2.431720804e+01 4.281759307e+01 5.254516347e+01 5.257087859e+01 1.400321328e+01 2.259721568e+01 4.624575144e+01 1.186202766e+01 2.221597745e+01 1.50 4.818807550e+01 2.169537367e+01 3.903985987e+01 4.821344185e+01 4.823880820e+01 1.262908419e+01 2.032929632e+01 4.226891501e+01 1.048334437e+01 2.012621988e+01 1.52 4.415186074e+01 1.928460973e+01 3.553300551e+01 4.417688047e+01 4.420190019e+01 1.135168514e+01 1.823140454e+01 3.857061984e+01 9.211854056e+00 1.818318302e+01 1.54 4.039218051e+01 1.706943490e+01 3.227904086e+01 4.041685575e+01 4.044153099e+01 1.016484441e+01 1.629185977e+01 3.513284962e+01 8.040042346e+00 1.637750660e+01 1.56 3.689153189e+01 1.503544997e+01 2.926112026e+01 3.691586476e+01 3.694019762e+01 9.062763104e+00 1.449975269e+01 3.193869917e+01 6.960898795e+00 1.470039760e+01 1.58 3.363346770e+01 1.316926472e+01 2.646347130e+01 3.365746031e+01 3.368145291e+01 8.039993541e+00 1.284489544e+01 2.897230842e+01 5.967883904e+00 1.314359713e+01 1.60 3.060253504e+01 1.145842942e+01 2.387132848e+01 3.062618949e+01 3.064984394e+01 7.091418761e+00 1.131777490e+01 2.621880001e+01 5.054898234e+00 1.169934915e+01 1.62 2.778421746e+01 9.891371058e+00 2.147087111e+01 2.780753584e+01 2.783085422e+01 6.212233272e+00 9.909509051e+00 2.366422071e+01 4.216253537e+00 1.036037093e+01 1.64 2.516488037e+01 8.457333652e+00 1.924916486e+01 2.518786476e+01 2.521084916e+01 5.397924870e+00 8.611806083e+00 2.129548606e+01 3.446645790e+00 9.119825352e+00 1.66 2.273171942e+01 7.146322614e+00 1.719410678e+01 2.275437189e+01 2.277702436e+01 4.644257439e+00 7.416926126e+00 1.910032830e+01 2.741129895e+00 7.971294568e+00 1.68 2.047271193e+01 5.949052774e+00 1.529437368e+01 2.049503454e+01 2.051735714e+01 3.947254779e+00 6.317645452e+00 1.706724733e+01 2.095096096e+00 6.908755344e+00 1.70 1.837657102e+01 4.856899846e+00 1.353937367e+01 1.839856582e+01 1.842056061e+01 3.303185334e+00 5.307222956e+00 1.518546451e+01 1.504247882e+00 5.926555737e+00 1.72 1.643270231e+01 3.861855153e+00 1.191920052e+01 1.645437133e+01 1.647604034e+01 2.708547754e+00 4.379368758e+00 1.344487913e+01 9.645813089e-01 5.019393080e+00 1.74 1.463116315e+01 2.956483347e+00 1.042459088e+01 1.465250842e+01 1.467385369e+01 2.160057342e+00 3.528214873e+00 1.183602749e+01 4.723657088e-01 4.182293315e+00 1.76 1.296262414e+01 2.133882970e+00 9.046884072e+00 1.298364768e+01 1.300467122e+01 1.654633221e+00 2.748287707e+00 1.035004430e+01 2.412560265e-02 3.410591430e+00 1.78 1.141833280e+01 1.387649622e+00 7.777984274e+00 1.143903662e+01 1.145974043e+01 1.189386243e+00 2.034482323e+00 8.978626346e+00 -3.833761941e-01 2.699913055e+00 1.80 9.990079432e+00 7.118416331e-01 6.610325096e+00 1.001046552e+01 1.003085160e+01 7.616076238e-01 1.382038406e+00 7.713998399e+00 -7.531543571e-01 2.046157145e+00 1.82 8.670164792e+00 1.009479980e-01 5.536836214e+00 8.690235137e+00 8.710305483e+00 3.687581808e-01 7.865176916e-01 6.548880952e+00 -1.088015839e+00 1.445479605e+00 1.84 7.451369729e+00 -4.501415132e-01 4.550912116e+00 7.471126313e+00 7.490882897e+00 8.458217790e-03 2.437829064e-01 5.476459984e+00 -1.390573679e+00 8.942779037e-01 1.86 6.326926553e+00 -9.461642395e-01 3.646382747e+00 6.346371342e+00 6.365816131e+00 -3.215220031e-01 -2.500219621e-01 4.490358486e+00 -1.663259904e+00 3.891765819e-01 1.88 5.290491968e+00 -1.391510645e+00 2.817485899e+00 5.309626919e+00 5.328761870e+00 -6.232712720e-01 -6.984901438e-01 3.584609630e+00 -1.908337623e+00 -7.298644391e-02 1.90 4.336121674e+00 -1.790248566e+00 2.058841364e+00 4.354948735e+00 4.373775796e+00 -8.987458862e-01 -1.104969348e+00 2.753631563e+00 -2.127912290e+00 -4.951727281e-01 1.92 3.458246386e+00 -2.146145827e+00 1.365426643e+00 3.476767496e+00 3.495288605e+00 -1.149777633e+00 -1.472577931e+00 1.992203676e+00 -2.323942267e+00 -8.801554221e-01 1.94 2.651649212e+00 -2.462691328e+00 7.325541274e-01 2.669866297e+00 2.688083382e+00 -1.378081321e+00 -1.804220029e+00 1.295444295e+00 -2.498248683e+00 -1.230530707e+00 1.96 1.911444422e+00 -2.743114694e+00 1.558497479e-01 1.929359402e+00 1.947274381e+00 -1.585261841e+00 -2.102599694e+00 6.587897050e-01 -2.652524644e+00 -1.548728516e+00 1.98 1.233057380e+00 -2.990404592e+00 -3.687671174e-01 1.250672162e+00 1.268286944e+00 -1.772820853e+00 -2.370234137e+00 7.797439970e-02 -2.788343851e+00 -1.837022672e+00 2.00 6.122056608e-01 -3.207325808e+00 -8.451024701e-01 6.295221449e-01 6.468386291e-01 -1.942163062e+00 -2.609466119e+00 -4.509874719e-01 -2.907168648e+00 -2.097540418e+00 2.02 4.488131784e-02 -3.396435140e+00 -1.276705326e+00 6.190139339e-02 7.892146895e-02 -2.094602124e+00 -2.822475514e+00 -9.318195306e-01 -3.010357537e+00 -2.332271361e+00 2.04 -4.726658898e-01 -3.560096227e+00 -1.666884300e+00 -4.559403428e-01 -4.392147959e-01 -2.231366224e+00 -3.011290165e+00 -1.367999580e+00 -3.099172212e+00 -2.543075934e+00 2.06 -9.439442342e-01 -3.700493348e+00 -2.018723127e+00 -9.275113453e-01 -9.110784565e-01 -2.353603315e+00 -3.177796000e+00 -1.762775018e+00 -3.174784120e+00 -2.731693333e+00 2.08 -1.372234831e+00 -3.819644268e+00 -2.335095218e+00 -1.356092739e+00 -1.339950647e+00 -2.462386041e+00 -3.323746511e+00 -2.119177311e+00 -3.238280590e+00 -2.899748975e+00 2.10 -1.760605622e+00 -3.919412222e+00 -2.618677327e+00 -1.744752476e+00 -1.728899330e+00 -2.558716394e+00 -3.450771621e+00 -2.440035610e+00 -3.290670568e+00 -3.048761548e+00 2.12 -2.111924488e+00 -4.001517043e+00 -2.871962337e+00 -2.096358445e+00 -2.080792402e+00 -2.643530072e+00 -3.560385961e+00 -2.727989527e+00 -3.332889962e+00 -3.180149614e+00 2.14 -2.428871602e+00 -4.067545546e+00 -3.097271258e+00 -2.413590829e+00 -2.398310056e+00 -2.717700588e+00 -3.653996615e+00 -2.985501154e+00 -3.365806635e+00 -3.295237825e+00 2.16 -2.713951074e+00 -4.118961175e+00 -3.296764478e+00 -2.698953747e+00 -2.683956421e+00 -2.782043144e+00 -3.732910373e+00 -3.214866345e+00 -3.390225080e+00 -3.395262786e+00 2.18 -2.969501858e+00 -4.157112992e+00 -3.472452283e+00 -2.954786164e+00 -2.940070469e+00 -2.837318259e+00 -3.798340484e+00 -3.418225297e+00 -3.406890766e+00 -3.481378541e+00 2.20 -3.197708056e+00 -4.183244025e+00 -3.626204734e+00 -3.183272188e+00 -3.168836320e+00 -2.884235189e+00 -3.851412992e+00 -3.597572506e+00 -3.416494208e+00 -3.554661755e+00 2.22 -3.400608582e+00 -4.198499052e+00 -3.759760917e+00 -3.386450745e+00 -3.372292907e+00 -2.923455150e+00 -3.893172651e+00 -3.754766108e+00 -3.419674766e+00 -3.616116572e+00 2.24 -3.580106250e+00 -4.203931818e+00 -3.874737592e+00 -3.566224656e+00 -3.552343062e+00 -2.955594330e+00 -3.924588442e+00 -3.891536641e+00 -3.417024182e+00 -3.666679182e+00 2.26 -3.737976329e+00 -4.200511768e+00 -3.972637309e+00 -3.724369200e+00 -3.710762071e+00 -2.981226739e+00 -3.946558743e+00 -4.009495271e+00 -3.409089890e+00 -3.707222120e+00 2.28 -3.875874577e+00 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