# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Liang-A-Goodelman-D-C-Hodge-A-M-et-al--Fe-Ni-Cr-Co-Ti # implementation = 2023--Liang-A--Fe-Ni-Cr-Co-Ti--LAMMPS--ipr1 # composition = Ti # 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 2024-03-01 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 1.499532253e+03 nan 0.76 nan nan nan nan nan nan nan nan 1.376849572e+03 nan 0.78 nan nan nan nan nan nan nan nan 1.266356034e+03 nan 0.80 nan nan nan nan nan 1.002351355e+03 nan nan 1.167419510e+03 nan 0.82 nan nan nan nan nan 9.250083183e+02 nan nan 1.079375613e+03 nan 0.84 nan nan nan nan nan 8.562890263e+02 nan nan 1.000155944e+03 nan 0.86 nan nan nan nan nan 7.937359245e+02 nan nan 9.274766125e+02 nan 0.88 nan nan nan nan nan 7.358645040e+02 nan nan 8.605412626e+02 nan 0.90 nan 1.093398049e+03 nan 1.580935466e+03 1.580476843e+03 6.813455713e+02 nan nan 7.988186534e+02 1.091684130e+03 0.92 nan 1.017744553e+03 nan 1.475551257e+03 1.475705897e+03 6.302721894e+02 1.031399853e+03 nan 7.417132721e+02 1.017299991e+03 0.94 nan 9.483466647e+02 nan 1.378162262e+03 1.378743897e+03 5.839209064e+02 9.619902382e+02 nan 6.891278521e+02 9.498357149e+02 0.96 nan 8.846890094e+02 nan 1.287985863e+03 1.288625967e+03 5.423518746e+02 8.986497456e+02 nan 6.411888589e+02 8.884752193e+02 0.98 nan 8.265542962e+02 nan 1.204904566e+03 1.205425317e+03 5.047592915e+02 8.411310715e+02 nan 5.976376031e+02 8.312435781e+02 1.00 nan 7.732800493e+02 nan 1.128661105e+03 1.129179490e+03 4.706714749e+02 7.885463399e+02 nan 5.577243740e+02 7.772269950e+02 1.02 1.058809307e+03 7.241270421e+02 9.642003887e+02 1.058341972e+03 1.058908635e+03 4.395756273e+02 7.395020899e+02 9.919308464e+02 5.208376832e+02 7.268284255e+02 1.04 9.924851843e+02 6.788909335e+02 9.039955194e+02 9.932526464e+02 9.936878868e+02 4.111010559e+02 6.932992485e+02 9.303909879e+02 4.866584628e+02 6.800069266e+02 1.06 9.319114854e+02 6.372302927e+02 8.490333711e+02 9.332326987e+02 9.333689841e+02 3.850657023e+02 6.496629269e+02 8.744960985e+02 4.548813416e+02 6.365703010e+02 1.08 8.770740020e+02 5.985841123e+02 7.983762165e+02 8.779848828e+02 8.776870395e+02 3.610581845e+02 6.085406522e+02 8.235860641e+02 4.253342175e+02 5.967322406e+02 1.10 8.270698849e+02 5.626217394e+02 7.517914294e+02 8.268133941e+02 8.260120772e+02 3.388572847e+02 5.702213896e+02 7.766723524e+02 3.978669398e+02 5.602912942e+02 1.12 7.809502335e+02 5.290500016e+02 7.092866856e+02 7.792961900e+02 7.780930389e+02 3.184286628e+02 5.351135137e+02 7.327175682e+02 3.722509707e+02 5.264438471e+02 1.14 7.376634144e+02 4.973797465e+02 6.702237485e+02 7.353109282e+02 7.339770519e+02 2.993337548e+02 5.030929498e+02 6.910859663e+02 3.483025907e+02 4.945976667e+02 1.16 6.964666603e+02 4.673050097e+02 6.338305560e+02 6.945067594e+02 6.933647267e+02 2.809151670e+02 4.734902605e+02 6.516581561e+02 3.259108119e+02 4.646576995e+02 1.18 6.573012289e+02 4.389598257e+02 5.993229967e+02 6.563780796e+02 6.557291310e+02 2.628150911e+02 4.456850832e+02 6.144763487e+02 3.050644165e+02 4.366804169e+02 1.20 6.202412322e+02 4.125444253e+02 5.659383418e+02 6.204640470e+02 6.205223890e+02 2.449756330e+02 4.193990892e+02 5.794034706e+02 2.858163092e+02 4.107185765e+02 1.22 5.852288641e+02 3.880491067e+02 5.335427165e+02 5.864580012e+02 5.872347719e+02 2.275222858e+02 3.946158235e+02 5.463546615e+02 2.682209021e+02 3.865392882e+02 1.24 5.523232186e+02 3.654258103e+02 5.028366940e+02 5.542427220e+02 5.555440534e+02 2.109114515e+02 3.713547840e+02 5.154908499e+02 2.522191731e+02 3.637821134e+02 1.26 5.217875845e+02 3.445184240e+02 4.743232513e+02 5.238860662e+02 5.254286982e+02 1.955906588e+02 3.494789644e+02 4.869994519e+02 2.375839719e+02 3.424066445e+02 1.28 4.936719528e+02 3.249702536e+02 4.478330162e+02 4.954669632e+02 4.969664272e+02 1.816070874e+02 3.287964613e+02 4.607973147e+02 2.239807342e+02 3.225840851e+02 1.30 4.676816536e+02 3.064971576e+02 4.230724872e+02 4.689282709e+02 4.701479968e+02 1.687119730e+02 3.092774019e+02 4.365585598e+02 2.111164933e+02 3.044414078e+02 1.32 4.435358126e+02 2.890850433e+02 3.999762778e+02 4.441245402e+02 4.448527367e+02 1.566766179e+02 2.910469400e+02 4.140055052e+02 1.988475155e+02 2.879384476e+02 1.34 4.210655639e+02 2.726677460e+02 3.785255073e+02 4.208700822e+02 4.209479086e+02 1.454147937e+02 2.742844007e+02 3.928543734e+02 1.871426522e+02 2.728063732e+02 1.36 3.999382204e+02 2.570608805e+02 3.584901815e+02 3.989364357e+02 3.983581000e+02 1.348712741e+02 2.590634817e+02 3.727476454e+02 1.759800629e+02 2.586003172e+02 1.38 3.797839283e+02 2.421724759e+02 3.394979380e+02 3.781768841e+02 3.771119261e+02 1.248996681e+02 2.452457914e+02 3.534176403e+02 1.653456493e+02 2.449479300e+02 1.40 3.604203144e+02 2.281067971e+02 3.213970963e+02 3.585676124e+02 3.572619560e+02 1.154006677e+02 2.325122437e+02 3.347681498e+02 1.551610453e+02 2.316490130e+02 1.42 3.418885407e+02 2.148797117e+02 3.043062239e+02 3.401025290e+02 3.387672740e+02 1.063907534e+02 2.205058720e+02 3.168428065e+02 1.453080260e+02 2.187626310e+02 1.44 3.241301034e+02 2.023178414e+02 2.883017490e+02 3.226754931e+02 3.214756927e+02 9.792573866e+01 2.090134093e+02 2.996460327e+02 1.357356526e+02 2.065024368e+02 1.46 3.068867602e+02 1.903194985e+02 2.732488590e+02 3.060747912e+02 3.051605497e+02 9.004542195e+01 1.979576482e+02 2.831431663e+02 1.264615325e+02 1.950454507e+02 1.48 2.901132523e+02 1.789901307e+02 2.589310219e+02 2.901627422e+02 2.896528105e+02 8.277144631e+01 1.873748503e+02 2.673863386e+02 1.174933520e+02 1.844596572e+02 1.50 2.740446272e+02 1.684947992e+02 2.451838931e+02 2.749217962e+02 2.748706591e+02 7.611786901e+01 1.773029530e+02 2.525087448e+02 1.088180334e+02 1.746270214e+02 1.52 2.589784896e+02 1.588640063e+02 2.319254967e+02 2.603792972e+02 2.607729464e+02 7.005108260e+01 1.677315216e+02 2.386192317e+02 1.004372583e+02 1.653338536e+02 1.54 2.450301253e+02 1.499674724e+02 2.191305582e+02 2.465583784e+02 2.473290576e+02 6.444507963e+01 1.586448211e+02 2.257189012e+02 9.236917316e+01 1.564161524e+02 1.56 2.321072348e+02 1.416627202e+02 2.068966603e+02 2.334620039e+02 2.345028894e+02 5.919075129e+01 1.500465025e+02 2.137497863e+02 8.464118325e+01 1.477752430e+02 1.58 2.200603300e+02 1.338965715e+02 1.954322998e+02 2.211041456e+02 2.222839306e+02 5.427183460e+01 1.419408104e+02 2.026434897e+02 7.728574567e+01 1.393261558e+02 1.60 2.088038600e+02 1.266774621e+02 1.849170795e+02 2.095185159e+02 2.106983257e+02 4.973033515e+01 1.342827394e+02 1.923571716e+02 7.033403758e+01 1.310004602e+02 1.62 1.983641457e+02 1.199825797e+02 1.753710407e+02 1.987422181e+02 1.997846122e+02 4.559262164e+01 1.269418213e+02 1.828674564e+02 6.380188227e+01 1.228166466e+02 1.64 1.887240691e+02 1.137254202e+02 1.666296714e+02 1.887486507e+02 1.895283064e+02 4.181615945e+01 1.197522830e+02 1.740626801e+02 5.767862821e+01 1.148180748e+02 1.66 1.797467727e+02 1.077832109e+02 1.585038927e+02 1.794285839e+02 1.798508094e+02 3.833429848e+01 1.126149496e+02 1.657879854e+02 5.194889752e+01 1.070063196e+02 1.68 1.712855080e+02 1.020050763e+02 1.508636345e+02 1.706781700e+02 1.706833227e+02 3.509071965e+01 1.055078623e+02 1.579066228e+02 4.661554391e+01 9.935004770e+01 1.70 1.632445192e+02 9.627813025e+01 1.436587189e+02 1.624399662e+02 1.620117115e+02 3.205221631e+01 9.845796340e+01 1.503590974e+02 4.170148007e+01 9.184936717e+01 1.72 1.555694916e+02 9.056954208e+01 1.368519812e+02 1.546797003e+02 1.538601800e+02 2.918143441e+01 9.149784846e+01 1.431479076e+02 3.722611952e+01 8.454575764e+01 1.74 1.482192548e+02 8.490979824e+01 1.303592682e+02 1.473432970e+02 1.462345592e+02 2.640909574e+01 8.464969485e+01 1.362584204e+02 3.316605626e+01 7.749410207e+01 1.76 1.411513045e+02 7.935766898e+01 1.241074813e+02 1.403677210e+02 1.391144577e+02 2.366737408e+01 7.793526771e+01 1.296695243e+02 2.946958111e+01 7.073328415e+01 1.78 1.343520291e+02 7.396060585e+01 1.180715041e+02 1.337151537e+02 1.324669873e+02 2.092086747e+01 7.138167999e+01 1.233509572e+02 2.608655644e+01 6.427917905e+01 1.80 1.278380645e+02 6.873628911e+01 1.122825494e+02 1.273567735e+02 1.262315847e+02 1.818042810e+01 6.502212861e+01 1.172710666e+02 2.297947143e+01 5.817367973e+01 1.82 1.216386150e+02 6.366026138e+01 1.067828044e+02 1.212678692e+02 1.203356805e+02 1.547189156e+01 5.889042146e+01 1.113981500e+02 2.012398555e+01 5.248415378e+01 1.84 1.157464753e+02 5.867333261e+01 1.015635543e+02 1.154166059e+02 1.147114494e+02 1.279993549e+01 5.302456679e+01 1.056780296e+02 1.749620986e+01 4.725430686e+01 1.86 1.100865789e+02 5.372259212e+01 9.654775684e+01 1.097565200e+02 1.092984494e+02 1.026899596e+01 4.747067826e+01 1.000409980e+02 1.505824735e+01 4.247726789e+01 1.88 1.045435655e+02 4.879377460e+01 9.164563088e+01 1.042413944e+02 1.040490615e+02 7.999601777e+00 4.228031267e+01 9.441998045e+01 1.277073933e+01 3.811650261e+01 1.90 9.901922547e+01 4.391206466e+01 8.680080876e+01 9.882871249e+01 9.891487284e+01 6.004106852e+00 3.748697180e+01 8.878871778e+01 1.068043743e+01 3.415239259e+01 1.92 9.348750249e+01 3.911884910e+01 8.199125998e+01 9.349329479e+01 9.385177471e+01 4.299841535e+00 3.309694903e+01 8.316771202e+01 8.811450939e+00 3.059377352e+01 1.94 8.796805234e+01 3.445930471e+01 7.720120825e+01 8.821521765e+01 8.881805170e+01 2.885591831e+00 2.908939132e+01 7.760224567e+01 7.123811676e+00 2.744272814e+01 1.96 8.247722661e+01 2.997498415e+01 7.239557174e+01 8.297301433e+01 8.377915727e+01 1.732964398e+00 2.542310263e+01 7.214959757e+01 5.592834264e+00 2.467505718e+01 1.98 7.702966129e+01 2.570235033e+01 6.752481641e+01 7.776388016e+01 7.873058766e+01 8.013375797e-01 2.205446855e+01 6.687110358e+01 4.210245203e+00 2.224042261e+01 2.00 7.166530197e+01 2.167609280e+01 6.253590430e+01 7.261396841e+01 7.369545067e+01 6.126863138e-02 1.894939823e+01 6.182723419e+01 2.979422437e+00 2.007759572e+01 2.02 6.645183169e+01 1.792186028e+01 5.741239524e+01 6.757422410e+01 6.871728349e+01 -4.947493072e-01 1.608778146e+01 5.705926002e+01 1.905215562e+00 1.811610256e+01 2.04 6.147709683e+01 1.453265667e+01 5.218105488e+01 6.270517231e+01 6.384771305e+01 -8.603702484e-01 1.345341944e+01 5.258356558e+01 9.854312952e-01 1.628975953e+01 2.06 5.681717993e+01 1.162278113e+01 4.690163142e+01 5.805157475e+01 5.912680903e+01 -1.047793164e+00 1.111893207e+01 4.838598712e+01 2.117858499e-01 1.454117668e+01 2.08 5.250567825e+01 9.150378907e+00 4.165460803e+01 5.363218113e+01 5.457775149e+01 -1.120305095e+00 9.108830642e+00 4.442353945e+01 -4.280120270e-01 1.283440161e+01 2.10 4.851106172e+01 7.030944913e+00 3.653228114e+01 4.943040460e+01 5.019811808e+01 -1.150269986e+00 7.383075277e+00 4.063628471e+01 -9.454034695e-01 1.118718606e+01 2.12 4.475396856e+01 5.203943650e+00 3.162541153e+01 4.540408159e+01 4.596351265e+01 -1.200377201e+00 5.912558978e+00 3.696878426e+01 -1.347290495e+00 9.625275470e+00 2.14 4.114680990e+01 3.629548399e+00 2.700455051e+01 4.150951628e+01 4.184715325e+01 -1.271322385e+00 4.669883885e+00 3.338566905e+01 -1.636429412e+00 8.133461457e+00 2.16 3.762715799e+01 2.278651375e+00 2.270676052e+01 3.771659745e+01 3.782884302e+01 -1.340938920e+00 3.623541203e+00 2.987850565e+01 -1.821057681e+00 6.713885142e+00 2.18 3.417057350e+01 1.127670277e+00 1.873230653e+01 3.401410821e+01 3.390142898e+01 -1.392534766e+00 2.737523495e+00 2.645249403e+01 -1.928379171e+00 5.385939087e+00 2.20 3.077795270e+01 1.562146769e-01 1.508429317e+01 3.040212376e+01 3.006843408e+01 -1.421294076e+00 1.977188752e+00 2.310936547e+01 -1.989863813e+00 4.171049431e+00 2.22 2.745282001e+01 -6.501612076e-01 1.197314934e+01 2.688209438e+01 2.634011830e+01 -1.437447800e+00 1.315437971e+00 1.984118275e+01 -2.038592727e+00 3.083241088e+00 2.24 2.418501869e+01 -1.303924060e+00 9.370306990e+00 2.344942232e+01 2.272727228e+01 -1.451130165e+00 7.313880950e-01 1.663596682e+01 -2.103242307e+00 2.122708551e+00 2.26 2.096223324e+01 -1.822937719e+00 7.185025124e+00 2.010005411e+01 1.924048627e+01 -1.470524372e+00 2.097578457e-01 1.358347412e+01 -2.184359834e+00 1.279863514e+00 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