# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Cu # implementation = 2018--Farkas-D--Fe-Ni-Cr-Co-Cu--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 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 -1.139612735e+03 nan 0.78 nan nan nan nan nan nan nan nan -1.050890847e+03 nan 0.80 nan nan nan nan nan nan nan nan -9.710950111e+02 nan 0.82 nan nan nan nan nan -7.702763342e+02 nan nan -9.010193612e+02 nan 0.84 nan nan nan nan nan -7.136348696e+02 nan nan -8.377091174e+02 nan 0.86 nan nan nan nan nan -6.612952650e+02 nan nan -7.780946724e+02 nan 0.88 nan nan nan nan nan -6.123724904e+02 nan nan -7.221481517e+02 nan 0.90 nan nan nan nan nan -5.649885071e+02 nan nan -6.697339108e+02 nan 0.92 nan nan nan -1.220340454e+03 -1.222238759e+03 -5.199922970e+02 nan nan -6.207823130e+02 -8.543198020e+02 0.94 nan -7.922099068e+02 nan -1.140217532e+03 -1.141155080e+03 -4.805171582e+02 -8.090741612e+02 nan -5.758149136e+02 -7.994225198e+02 0.96 nan -7.412416525e+02 nan -1.065967487e+03 -1.065223769e+03 -4.461542247e+02 -7.581262507e+02 nan -5.356506225e+02 -7.488953252e+02 0.98 nan -6.950756924e+02 nan -9.982438096e+02 -9.961455304e+02 -4.147568823e+02 -7.110940536e+02 nan -4.999964992e+02 -7.000642145e+02 1.00 nan -6.525267400e+02 nan -9.373461295e+02 -9.350379090e+02 -3.851638857e+02 -6.676986574e+02 nan -4.675165907e+02 -6.524717154e+02 1.02 nan -6.128656137e+02 nan -8.817909111e+02 -8.801305420e+02 -3.568156953e+02 -6.263001724e+02 nan -4.373359889e+02 -6.083226866e+02 1.04 nan -5.757566927e+02 -7.589066507e+02 -8.303757303e+02 -8.295503275e+02 -3.303709292e+02 -5.864788517e+02 -7.797699877e+02 -4.090716390e+02 -5.679615235e+02 1.06 -7.801526141e+02 -5.408409116e+02 -7.153303036e+02 -7.828365316e+02 -7.829024372e+02 -3.058115379e+02 -5.484817589e+02 -7.339176850e+02 -3.821579070e+02 -5.309128240e+02 1.08 -7.355442243e+02 -5.078199718e+02 -6.753165308e+02 -7.388209406e+02 -7.395487602e+02 -2.831720337e+02 -5.120001304e+02 -6.926545059e+02 -3.565227139e+02 -4.984727630e+02 1.10 -6.952920555e+02 -4.774646661e+02 -6.380180629e+02 -6.972511696e+02 -6.981631438e+02 -2.625940152e+02 -4.782335668e+02 -6.548118281e+02 -3.322498514e+02 -4.705527269e+02 1.12 -6.580905642e+02 -4.495965995e+02 -6.035521206e+02 -6.576779469e+02 -6.584554323e+02 -2.441936608e+02 -4.483708140e+02 -6.189815343e+02 -3.094695626e+02 -4.450819806e+02 1.14 -6.228812901e+02 -4.240607561e+02 -5.716489152e+02 -6.210004407e+02 -6.215685594e+02 -2.276743784e+02 -4.225131492e+02 -5.845811916e+02 -2.880890388e+02 -4.204105438e+02 1.16 -5.890746716e+02 -3.994796790e+02 -5.412269337e+02 -5.874123096e+02 -5.877363856e+02 -2.116013667e+02 -3.992273869e+02 -5.519772189e+02 -2.679756358e+02 -3.957335006e+02 1.18 -5.568610825e+02 -3.760617633e+02 -5.118332799e+02 -5.562542915e+02 -5.565885291e+02 -1.953869637e+02 -3.770803843e+02 -5.213937016e+02 -2.489487268e+02 -3.715927041e+02 1.20 -5.262895591e+02 -3.538399744e+02 -4.823083450e+02 -5.269617563e+02 -5.275341746e+02 -1.789564166e+02 -3.559358618e+02 -4.924336077e+02 -2.311800496e+02 -3.488827458e+02 1.22 -4.971317933e+02 -3.331853766e+02 -4.527858458e+02 -4.990407102e+02 -4.998270917e+02 -1.625608711e+02 -3.356489817e+02 -4.650320109e+02 -2.147642306e+02 -3.275905340e+02 1.24 -4.699333731e+02 -3.137484956e+02 -4.250282192e+02 -4.722446966e+02 -4.729444315e+02 -1.471395952e+02 -3.165213357e+02 -4.394374408e+02 -1.999232593e+02 -3.070973002e+02 1.26 -4.447290775e+02 -2.953864609e+02 -4.003091408e+02 -4.466253881e+02 -4.470382052e+02 -1.338440658e+02 -2.981702330e+02 -4.158892435e+02 -1.864266758e+02 -2.873166163e+02 1.28 -4.216367544e+02 -2.776461920e+02 -3.777416362e+02 -4.224506131e+02 -4.225385396e+02 -1.226781831e+02 -2.803482250e+02 -3.940795880e+02 -1.737682150e+02 -2.683812604e+02 1.30 -4.003119168e+02 -2.602460319e+02 -3.574428999e+02 -4.000513972e+02 -3.997962314e+02 -1.131468523e+02 -2.626880767e+02 -3.739629523e+02 -1.614016491e+02 -2.509998550e+02 1.32 -3.801683133e+02 -2.434833795e+02 -3.392230960e+02 -3.791539257e+02 -3.785302943e+02 -1.047311469e+02 -2.455579570e+02 -3.550467348e+02 -1.492400592e+02 -2.353415667e+02 1.34 -3.613018343e+02 -2.278075185e+02 -3.230797108e+02 -3.595585726e+02 -3.584638781e+02 -9.725856868e+01 -2.293868957e+02 -3.370756745e+02 -1.373566710e+02 -2.215750070e+02 1.36 -3.431360721e+02 -2.128736483e+02 -3.080074214e+02 -3.408575740e+02 -3.393708302e+02 -9.041728216e+01 -2.146655140e+02 -3.197075139e+02 -1.260560394e+02 -2.087776273e+02 1.38 -3.253893521e+02 -1.987908216e+02 -2.933608399e+02 -3.229449389e+02 -3.213343251e+02 -8.406793611e+01 -2.012880238e+02 -3.025572627e+02 -1.153425089e+02 -1.962841643e+02 1.40 -3.083058354e+02 -1.858099390e+02 -2.783505706e+02 -3.060368854e+02 -3.046187149e+02 -7.758695182e+01 -1.889451564e+02 -2.858422770e+02 -1.053562682e+02 -1.836142016e+02 1.42 -2.919438208e+02 -1.737420957e+02 -2.634791066e+02 -2.901418834e+02 -2.891797096e+02 -7.111269784e+01 -1.770805137e+02 -2.696429758e+02 -9.589508760e+01 -1.706504929e+02 1.44 -2.762963050e+02 -1.621253074e+02 -2.491223239e+02 -2.752151135e+02 -2.748247188e+02 -6.461979617e+01 -1.652789789e+02 -2.540255336e+02 -8.685308845e+01 -1.580337496e+02 1.46 -2.606941079e+02 -1.505574181e+02 -2.350075166e+02 -2.609024562e+02 -2.611372638e+02 -5.816743646e+01 -1.537111402e+02 -2.389971651e+02 -7.813663024e+01 -1.461458394e+02 1.48 -2.452120863e+02 -1.394598784e+02 -2.212758469e+02 -2.469909458e+02 -2.478074411e+02 -5.198004535e+01 -1.424267503e+02 -2.246541011e+02 -6.989907356e+01 -1.354960050e+02 1.50 -2.302973263e+02 -1.291005345e+02 -2.075383385e+02 -2.333587348e+02 -2.346495454e+02 -4.612555324e+01 -1.315215847e+02 -2.112680393e+02 -6.202363936e+01 -1.259034580e+02 1.52 -2.166307405e+02 -1.195562938e+02 -1.936683571e+02 -2.201857750e+02 -2.217294066e+02 -4.053637243e+01 -1.210064110e+02 -1.989630638e+02 -5.447612780e+01 -1.170451610e+02 1.54 -2.045174748e+02 -1.102956763e+02 -1.797930580e+02 -2.075569495e+02 -2.091408847e+02 -3.508603747e+01 -1.109834598e+02 -1.875618714e+02 -4.737965251e+01 -1.086150154e+02 1.56 -1.933334394e+02 -1.012549842e+02 -1.663269559e+02 -1.954119971e+02 -1.968744320e+02 -2.965252713e+01 -1.015990316e+02 -1.767192570e+02 -4.074231492e+01 -1.003819982e+02 1.58 -1.828553183e+02 -9.232278351e+01 -1.537862910e+02 -1.837179644e+02 -1.848889645e+02 -2.431500808e+01 -9.298428124e+01 -1.662592596e+02 -3.462029005e+01 -9.220907041e+01 1.60 -1.726820056e+02 -8.373947406e+01 -1.427076509e+02 -1.725458725e+02 -1.733792230e+02 -1.917856676e+01 -8.514699544e+01 -1.561218834e+02 -2.898064886e+01 -8.409706493e+01 1.62 -1.626836960e+02 -7.578131451e+01 -1.332619576e+02 -1.618787606e+02 -1.623655340e+02 -1.483042565e+01 -7.777699472e+01 -1.462038066e+02 -2.376393970e+01 -7.577403603e+01 1.64 -1.528588057e+02 -6.845472180e+01 -1.249987151e+02 -1.515355078e+02 -1.516659021e+02 -1.144000153e+01 -7.069371271e+01 -1.365698900e+02 -1.896785253e+01 -6.778171909e+01 1.66 -1.432941102e+02 -6.164064772e+01 -1.172724754e+02 -1.415790426e+02 -1.413079742e+02 -8.647963635e+00 -6.363182666e+01 -1.272305087e+02 -1.483897158e+01 -6.012110564e+01 1.68 -1.335070835e+02 -5.511236133e+01 -1.099818042e+02 -1.317485529e+02 -1.310610976e+02 -6.419096561e+00 -5.659214288e+01 -1.177963081e+02 -1.162301771e+01 -5.267341062e+01 1.70 -1.240739223e+02 -4.866813679e+01 -1.028768397e+02 -1.223265394e+02 -1.211956039e+02 -4.586153619e+00 -4.962104688e+01 -1.086793329e+02 -9.176658182e+00 -4.563795126e+01 1.72 -1.148376493e+02 -4.223767943e+01 -9.583414390e+01 -1.132473332e+02 -1.117475264e+02 -3.069923163e+00 -4.292373437e+01 -9.981863598e+01 -7.345466698e+00 -3.899367817e+01 1.74 -1.057695801e+02 -3.587752812e+01 -8.861688272e+01 -1.046099257e+02 -1.029448120e+02 -1.833460876e+00 -3.648445026e+01 -9.141923974e+01 -5.945042588e+00 -3.276753696e+01 1.76 -9.706549061e+01 -2.981740355e+01 -8.118294654e+01 -9.641576714e+01 -9.480319299e+01 -8.660631659e-01 -3.033470534e+01 -8.354058635e+01 -4.846409716e+00 -2.702920426e+01 1.78 -8.876078581e+01 -2.415924107e+01 -7.376359026e+01 -8.870420752e+01 -8.738079870e+01 -1.786373701e-01 -2.461808591e+01 -7.610572303e+01 -3.951225801e+00 -2.178334634e+01 1.80 -8.097654153e+01 -1.894284663e+01 -6.648792017e+01 -8.138704957e+01 -8.048794977e+01 2.631928918e-01 -1.927426540e+01 -6.920204467e+01 -3.242219540e+00 -1.708237795e+01 1.82 -7.372965384e+01 -1.451196403e+01 -5.954568114e+01 -7.443799386e+01 -7.399600889e+01 5.165923977e-01 -1.448943905e+01 -6.278419211e+01 -2.685684000e+00 -1.324741164e+01 1.84 -6.723305546e+01 -1.105857001e+01 -5.297464615e+01 -6.793905299e+01 -6.788898757e+01 6.231545590e-01 -1.083831143e+01 -5.681398454e+01 -2.264831587e+00 -1.051098507e+01 1.86 -6.132367849e+01 -8.423505688e+00 -4.676271199e+01 -6.184326699e+01 -6.210990563e+01 5.695749167e-01 -8.159458755e+00 -5.112789852e+01 -1.957413310e+00 -8.520335844e+00 1.88 -5.578542957e+01 -6.435702008e+00 -4.079849095e+01 -5.602101407e+01 -5.654986561e+01 3.943191680e-01 -6.229436590e+00 -4.553119740e+01 -1.747581139e+00 -7.032125113e+00 1.90 -5.033335080e+01 -4.995619740e+00 -3.504792205e+01 -5.045198851e+01 -5.120857388e+01 1.815088980e-01 -4.885977787e+00 -3.988953394e+01 -1.615735319e+00 -5.855207674e+00 1.92 -4.494107542e+01 -4.024111023e+00 -2.956142139e+01 -4.508109199e+01 -4.603680187e+01 1.588076929e-03 -3.977291752e+00 -3.422220542e+01 -1.548128797e+00 -4.956483339e+00 1.94 -3.952562724e+01 -3.434363785e+00 -2.440926272e+01 -3.974863120e+01 -4.080780217e+01 -1.298270920e-01 -3.356356954e+00 -2.856145105e+01 -1.529531840e+00 -4.271122359e+00 1.96 -3.406319697e+01 -3.128644914e+00 -1.959068948e+01 -3.445395270e+01 -3.559125452e+01 -2.361197198e-01 -2.943287887e+00 -2.295306215e+01 -1.569777937e+00 -3.750884151e+00 1.98 -2.855181077e+01 -3.023720398e+00 -1.512628650e+01 -2.913731759e+01 -3.030402877e+01 -3.344671587e-01 -2.675653565e+00 -1.761422525e+01 -1.686364919e+00 -3.347637283e+00 2.00 -2.298457388e+01 -3.040955998e+00 -1.146845841e+01 -2.380064412e+01 -2.496317394e+01 -4.376684359e-01 -2.514875556e+00 -1.293059716e+01 -1.862278471e+00 -3.007318939e+00 2.02 -1.747779210e+01 -3.121823277e+00 -8.521353232e+00 -1.854930695e+01 -1.965801836e+01 -5.518525528e-01 -2.434954513e+00 -9.612250924e+00 -2.063839771e+00 -2.733829543e+00 2.04 -1.275099063e+01 -3.226852590e+00 -6.285060983e+00 -1.381280328e+01 -1.467651087e+01 -6.745192474e-01 -2.420830103e+00 -7.347371242e+00 -2.248861197e+00 -2.516570028e+00 2.06 -9.441816822e+00 -3.341085593e+00 -4.664683492e+00 -1.029451552e+01 -1.085215750e+01 -8.090620195e-01 -2.455793476e+00 -5.849261375e+00 -2.394735612e+00 -2.358524296e+00 2.08 -7.257494940e+00 -3.455197043e+00 -3.594622306e+00 -7.814666267e+00 -8.110025477e+00 -9.555596288e-01 -2.527523278e+00 -4.876487206e+00 -2.504824239e+00 -2.262115283e+00 2.10 -5.857439865e+00 -3.562982081e+00 -2.980821061e+00 -6.134868423e+00 -6.230000041e+00 -1.113025501e+00 -2.625920452e+00 -4.251137639e+00 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