# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1997--Ackland-G-J-Bacon-D-J-Calder-A-F-Harry-T--Fe # implementation = 1997--Ackland-G-J--Fe--LAMMPS--ipr1 # composition = Fe # 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 7.480482645e+02 nan 0.56 nan nan nan nan nan nan nan nan 6.662149036e+02 nan 0.58 nan nan nan nan nan 5.119671267e+02 nan nan 5.952029677e+02 nan 0.60 nan nan nan nan nan 4.583398785e+02 nan nan 5.333253056e+02 nan 0.62 nan nan nan nan nan 4.113754611e+02 nan nan 4.792743937e+02 nan 0.64 nan nan nan nan nan 3.701201445e+02 nan nan 4.318784001e+02 nan 0.66 nan 5.354018641e+02 nan 7.754844553e+02 7.754925494e+02 3.338005198e+02 nan nan 3.901645752e+02 5.355874768e+02 0.68 nan 4.858015565e+02 nan 7.052360894e+02 7.052396594e+02 3.017026622e+02 4.934066957e+02 nan 3.532740923e+02 4.859128621e+02 0.70 nan 4.417291723e+02 nan 6.427943841e+02 6.427860704e+02 2.732804543e+02 4.486111568e+02 nan 3.204987035e+02 4.418810352e+02 0.72 nan 4.024737041e+02 nan 5.871134211e+02 5.870869815e+02 2.481167034e+02 4.087469728e+02 nan 2.912544335e+02 4.027018931e+02 0.74 nan 3.673436515e+02 nan 5.373272465e+02 5.372937023e+02 2.257267255e+02 3.731508207e+02 5.041391265e+02 2.650528675e+02 3.676900155e+02 0.76 4.926899241e+02 3.358064093e+02 4.490687877e+02 4.926752047e+02 4.926639330e+02 2.056450084e+02 3.412836221e+02 4.620037306e+02 2.415257811e+02 3.363152064e+02 0.78 4.524431131e+02 3.074745042e+02 4.120762236e+02 4.524774901e+02 4.525003275e+02 1.875576451e+02 3.126961998e+02 4.240628141e+02 2.203863147e+02 3.080695789e+02 0.80 4.161349799e+02 2.819680872e+02 3.787081819e+02 4.161875006e+02 4.162379467e+02 1.712752773e+02 2.869320358e+02 3.898382617e+02 2.013862506e+02 2.825131301e+02 0.82 3.833110107e+02 2.589298637e+02 3.485419075e+02 3.833693347e+02 3.834286729e+02 1.565843417e+02 2.635910713e+02 3.589194394e+02 1.842821863e+02 2.593561320e+02 0.84 3.535929634e+02 2.380915433e+02 3.212753192e+02 3.536385060e+02 3.536783141e+02 1.433144686e+02 2.423841689e+02 3.309532774e+02 1.688521181e+02 2.383946584e+02 0.86 3.266238164e+02 2.191939885e+02 2.965772745e+02 3.266392404e+02 3.266393518e+02 1.313131001e+02 2.231058305e+02 3.056026015e+02 1.549165097e+02 2.193973435e+02 0.88 3.021316460e+02 2.020457796e+02 2.741255647e+02 3.020876419e+02 3.020451245e+02 1.204199156e+02 2.055613172e+02 2.825706420e+02 1.423144335e+02 2.021339566e+02 0.90 2.798527680e+02 1.864168927e+02 2.536925580e+02 2.797451836e+02 2.796712928e+02 1.104832109e+02 1.895654974e+02 2.615818745e+02 1.308847307e+02 1.863863877e+02 0.92 2.594868632e+02 1.721033286e+02 2.350769696e+02 2.593677511e+02 2.592862111e+02 1.014037837e+02 1.749756994e+02 2.423723917e+02 1.204910861e+02 1.720449851e+02 0.94 2.407822789e+02 1.589922831e+02 2.180629579e+02 2.407163837e+02 2.406542183e+02 9.311287094e+01 1.616540671e+02 2.247407631e+02 1.109935891e+02 1.589909227e+02 0.96 2.235917917e+02 1.469810589e+02 2.024158241e+02 2.235919570e+02 2.235681275e+02 8.552810902e+01 1.494738149e+02 2.085467868e+02 1.022887958e+02 1.471128391e+02 0.98 2.077807694e+02 1.359548793e+02 1.879347491e+02 2.078353011e+02 2.078534795e+02 7.855910592e+01 1.383263904e+02 1.936608597e+02 9.428970676e+01 1.362823407e+02 1.00 1.932347899e+02 1.258214617e+02 1.745479794e+02 1.933228805e+02 1.933805003e+02 7.215287600e+01 1.281409937e+02 1.799643720e+02 8.692829145e+01 1.263758205e+02 1.02 1.798321723e+02 1.165283757e+02 1.621905477e+02 1.799403405e+02 1.800318766e+02 6.626912132e+01 1.188309212e+02 1.673611904e+02 8.014040221e+01 1.172741799e+02 1.04 1.674857756e+02 1.080127527e+02 1.507929342e+02 1.675848753e+02 1.676913040e+02 6.087203384e+01 1.102999809e+02 1.557561710e+02 7.385918115e+01 1.088897232e+02 1.06 1.560972524e+02 1.001881383e+02 1.402902592e+02 1.561638973e+02 1.562567795e+02 5.592863846e+01 1.024623103e+02 1.450483754e+02 6.804762833e+01 1.011361410e+02 1.08 1.455830339e+02 9.296704623e+01 1.306058571e+02 1.456034550e+02 1.456564737e+02 5.139423584e+01 9.523753125e+01 1.351588888e+02 6.267524937e+01 9.394923118e+01 1.10 1.358544169e+02 8.628528891e+01 1.216668594e+02 1.358347259e+02 1.358409725e+02 4.722852000e+01 8.855516027e+01 1.260142591e+02 5.770952524e+01 8.726196753e+01 1.12 1.268206469e+02 8.010677999e+01 1.134069949e+02 1.267817396e+02 1.267489636e+02 4.339683998e+01 8.235126931e+01 1.175463720e+02 5.311585280e+01 8.100730105e+01 1.14 1.184434467e+02 7.439439689e+01 1.057853761e+02 1.183916379e+02 1.183283081e+02 3.987504990e+01 7.656336929e+01 1.097126269e+02 4.886635320e+01 7.516469214e+01 1.16 1.106841078e+02 6.910478300e+01 9.874914826e+01 1.106170693e+02 1.105325235e+02 3.663263915e+01 7.114495092e+01 1.024634493e+02 4.493983409e+01 6.971471980e+01 1.18 1.034929966e+02 6.419074979e+01 9.223640965e+01 1.034156955e+02 1.033219735e+02 3.363523004e+01 6.606705894e+01 9.574169493e+01 4.131753152e+01 6.463001693e+01 1.20 9.682142275e+01 5.961477885e+01 8.620787419e+01 9.674265973e+01 9.665238939e+01 3.087039719e+01 6.131068594e+01 8.948926216e+01 3.797479499e+01 5.989459894e+01 1.22 9.061509984e+01 5.534415966e+01 8.062893988e+01 9.054394291e+01 9.046947225e+01 2.833143334e+01 5.685787189e+01 8.365127406e+01 3.488333548e+01 5.549360812e+01 1.24 8.481754709e+01 5.135090148e+01 7.544983199e+01 8.476498616e+01 8.471728331e+01 2.600064684e+01 5.269292213e+01 7.819018466e+01 3.201632762e+01 5.140747467e+01 1.26 7.937672917e+01 4.762132693e+01 7.061896211e+01 7.935801056e+01 7.934535967e+01 2.386093151e+01 4.880122062e+01 7.308199467e+01 2.935592295e+01 4.761772874e+01 1.28 7.427702389e+01 4.414157095e+01 6.608394586e+01 7.429714502e+01 7.431980281e+01 2.189251913e+01 4.516524375e+01 6.831192864e+01 2.689053571e+01 4.410578691e+01 1.30 6.951464928e+01 4.089156311e+01 6.179936653e+01 6.956425851e+01 6.961433629e+01 2.007507576e+01 4.176754774e+01 6.385809584e+01 2.460485485e+01 4.084952267e+01 1.32 6.506431490e+01 3.785252545e+01 5.774150828e+01 6.513262615e+01 6.520181301e+01 1.839107551e+01 3.859542846e+01 5.969397306e+01 2.248515557e+01 3.782513278e+01 1.34 6.090097057e+01 3.500614888e+01 5.390378774e+01 6.097862312e+01 6.105897577e+01 1.683346531e+01 3.564080979e+01 5.579588279e+01 2.051689740e+01 3.500831867e+01 1.36 5.700132965e+01 3.233716814e+01 5.028343040e+01 5.708111025e+01 5.716370223e+01 1.539803844e+01 3.289388050e+01 5.214486034e+01 1.868471860e+01 3.237492807e+01 1.38 5.334724843e+01 2.983231186e+01 4.687022287e+01 5.342111565e+01 5.349632237e+01 1.407517450e+01 3.034126253e+01 4.872092208e+01 1.697677368e+01 2.991396830e+01 1.40 4.992254836e+01 2.747697306e+01 4.365196742e+01 4.998081934e+01 5.003878748e+01 1.285433449e+01 2.796901281e+01 4.550125217e+01 1.538615562e+01 2.761968035e+01 1.42 4.670613024e+01 2.525660040e+01 4.061862687e+01 4.674191704e+01 4.677646494e+01 1.172620725e+01 2.576322923e+01 4.246500872e+01 1.390623075e+01 2.547548659e+01 1.44 4.367289613e+01 2.315888035e+01 3.776147331e+01 4.368480973e+01 4.369543223e+01 1.068216874e+01 2.370934305e+01 3.959576426e+01 1.252904847e+01 2.346347348e+01 1.46 4.080016585e+01 2.117526045e+01 3.507434570e+01 4.079067154e+01 4.078034192e+01 9.716300854e+00 2.179371860e+01 3.688173930e+01 1.124850610e+01 2.156839214e+01 1.48 3.807243289e+01 1.930211964e+01 3.255110376e+01 3.804647978e+01 3.802022845e+01 8.824411018e+00 2.000564769e+01 3.431055330e+01 1.005703327e+01 1.977759157e+01 1.50 3.548056019e+01 1.753688202e+01 3.018288351e+01 3.544408105e+01 3.540756014e+01 8.000430104e+00 1.833205314e+01 3.187578141e+01 8.946838251e+00 1.808455923e+01 1.52 3.302542904e+01 1.587675961e+01 2.795826141e+01 3.298237271e+01 3.293931636e+01 7.236567269e+00 1.675768485e+01 2.957575182e+01 7.912647233e+00 1.649298315e+01 1.54 3.070484772e+01 1.431885585e+01 2.586637835e+01 3.065789976e+01 3.061095179e+01 6.525966545e+00 1.527294061e+01 2.740471981e+01 6.951332537e+00 1.500335684e+01 1.56 2.851114988e+01 1.285930311e+01 2.389988258e+01 2.846345124e+01 2.841575260e+01 5.865356672e+00 1.387258106e+01 2.535509844e+01 6.059989691e+00 1.360935222e+01 1.58 2.643790188e+01 1.149445520e+01 2.205184553e+01 2.639289621e+01 2.634789054e+01 5.252398737e+00 1.254977410e+01 2.342019959e+01 5.234882323e+00 1.230569549e+01 1.60 2.447872665e+01 1.022059468e+01 2.031495732e+01 2.443981514e+01 2.440090363e+01 4.684775484e+00 1.129928668e+01 2.159319818e+01 4.472508135e+00 1.108744189e+01 1.62 2.262731691e+01 9.033699496e+00 1.868186339e+01 2.259763079e+01 2.256794467e+01 4.160188584e+00 1.012051451e+01 1.986756018e+01 3.769141766e+00 9.949762443e+00 1.64 2.087745015e+01 7.929445660e+00 1.714436969e+01 2.085966584e+01 2.084188153e+01 3.675759014e+00 9.011672004e+00 1.823957465e+01 3.120424688e+00 8.887945824e+00 1.66 1.922312561e+01 6.902858650e+00 1.569273181e+01 1.921903735e+01 1.921494908e+01 3.227541067e+00 7.968202383e+00 1.670573034e+01 2.521979614e+00 7.897475164e+00 1.68 1.766133828e+01 5.949706497e+00 1.431928202e+01 1.767103081e+01 1.768072333e+01 2.811631047e+00 6.986216055e+00 1.526183702e+01 1.969740901e+00 6.975363414e+00 1.70 1.619034022e+01 5.065963081e+00 1.301795819e+01 1.621185346e+01 1.623336669e+01 2.424074874e+00 6.062319124e+00 1.390399244e+01 1.460915814e+00 6.118449243e+00 1.72 1.480603092e+01 4.246482124e+00 1.178159443e+01 1.483592841e+01 1.486582590e+01 2.060840475e+00 5.193641789e+00 1.262783840e+01 9.928380247e-01 5.321862535e+00 1.74 1.350257932e+01 3.485128053e+00 1.060323661e+01 1.353671135e+01 1.357084337e+01 1.718512527e+00 4.379226646e+00 1.142830869e+01 5.634376300e-01 4.579879360e+00 1.76 1.227478965e+01 2.775823662e+00 9.483382966e+00 1.230988232e+01 1.234497499e+01 1.397089651e+00 3.618688069e+00 1.030016066e+01 1.708095052e-01 3.887165098e+00 1.78 1.111818896e+01 2.113141421e+00 8.424435309e+00 1.115223987e+01 1.118629078e+01 1.097321501e+00 2.911209007e+00 9.238482057e+00 -1.872641268e-01 3.239550615e+00 1.80 1.002931904e+01 1.494918595e+00 7.425119867e+00 1.006067075e+01 1.009202246e+01 8.180143647e-01 2.255081270e+00 8.238521295e+00 -5.131459838e-01 2.634994078e+00 1.82 9.003938043e+00 9.199118680e-01 6.482502708e+00 9.030950239e+00 9.057962436e+00 5.572028718e-01 1.648036332e+00 7.295127615e+00 -8.089915344e-01 2.071415195e+00 1.84 8.037161219e+00 3.853116997e-01 5.595153504e+00 8.058629208e+00 8.080097197e+00 3.139956461e-01 1.087770960e+00 6.402866848e+00 -1.076978879e+00 1.546524863e+00 1.86 7.124106057e+00 -1.114857662e-01 4.761983539e+00 7.139326252e+00 7.154546447e+00 8.772634008e-02 5.721345792e-01 5.557570713e+00 -1.318821866e+00 1.058040855e+00 1.88 6.259813222e+00 -5.713474586e-01 3.981964180e+00 6.268621222e+00 6.277429222e+00 -1.221969858e-01 9.903242588e-02 4.756292335e+00 -1.535571639e+00 6.036395806e-01 1.90 5.438722247e+00 -9.956097790e-01 3.253746057e+00 5.441664258e+00 5.444606270e+00 -3.162905601e-01 -3.336313606e-01 3.995899002e+00 -1.728311965e+00 1.806703977e-01 1.92 4.655861272e+00 -1.386464754e+00 2.575686400e+00 4.654170374e+00 4.652479477e+00 -4.951942458e-01 -7.280696940e-01 3.275564433e+00 -1.898632689e+00 -2.132323483e-01 1.94 3.911357637e+00 -1.745447794e+00 1.945776029e+00 3.906311731e+00 3.901265825e+00 -6.599058925e-01 -1.086592450e+00 2.596124600e+00 -2.048421312e+00 -5.786649864e-01 1.96 3.207306121e+00 -2.073632120e+00 1.361917068e+00 3.199977649e+00 3.192649178e+00 -8.114811487e-01 -1.411654104e+00 1.957464318e+00 -2.179610694e+00 -9.155801276e-01 1.98 2.543973602e+00 -2.372179530e+00 8.209846331e-01 2.535215053e+00 2.526456504e+00 -9.517990184e-01 -1.705946641e+00 1.357769690e+00 -2.294220702e+00 -1.224555586e+00 2.00 1.919087968e+00 -2.642417009e+00 3.192098431e-01 1.909695283e+00 1.900302598e+00 -1.083286517e+00 -1.972153889e+00 7.958938071e-01 -2.394315183e+00 -1.507029189e+00 2.02 1.331273049e+00 -2.885938867e+00 -1.472001415e-01 1.321866982e+00 1.312460915e+00 -1.208423904e+00 -2.212486716e+00 2.711899498e-01 -2.482023963e+00 -1.764103337e+00 2.04 7.798354560e-01 -3.104712440e+00 -5.813831017e-01 7.708240134e-01 7.618125709e-01 -1.329066813e+00 -2.428389310e+00 -2.169326170e-01 -2.559184430e+00 -1.996672146e+00 2.06 2.641422353e-01 -3.300076989e+00 -9.842919258e-01 2.558907716e-01 2.476393080e-01 -1.444914333e+00 -2.620753174e+00 -6.690122570e-01 -2.626195566e+00 -2.205642405e+00 2.08 -2.163757974e-01 -3.472943475e+00 -1.356471955e+00 -2.235199622e-01 -2.306641270e-01 -1.555282174e+00 -2.790522683e+00 -1.085560164e+00 -2.683018069e+00 -2.391901515e+00 2.10 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