# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Byggmastar-J-Granberg-F--Fe # implementation = 2020--Byggmastar-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 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 2.441969336e+03 nan nan nan nan 0.64 nan nan nan nan nan 2.132218932e+03 nan nan 2.447559484e+03 nan 0.66 nan nan nan nan nan 1.865556968e+03 nan nan 2.146112985e+03 nan 0.68 nan nan nan nan nan 1.635988479e+03 nan nan 1.884770929e+03 nan 0.70 nan 2.383717531e+03 nan nan nan 1.438235767e+03 nan nan 1.657636624e+03 2.467986860e+03 0.72 nan 2.113251119e+03 nan nan nan 1.267239624e+03 2.204107075e+03 nan 1.459754982e+03 2.187109812e+03 0.74 nan 1.878185031e+03 nan nan nan 1.118865235e+03 1.957312131e+03 nan 1.287263951e+03 1.940835306e+03 0.76 nan 1.672927345e+03 2.427924349e+03 nan nan 9.903664773e+02 1.740051386e+03 nan 1.136936284e+03 1.724356790e+03 0.78 nan 1.492697673e+03 2.173186115e+03 nan 2.451314295e+03 8.793075798e+02 1.548312581e+03 2.253914715e+03 1.005868064e+03 1.533543769e+03 0.80 2.199269266e+03 1.333473152e+03 1.949410501e+03 2.199669873e+03 2.200066235e+03 7.834042675e+02 1.378823897e+03 2.021784828e+03 8.912854615e+02 1.365365930e+03 0.82 1.977510254e+03 1.192031750e+03 1.751890762e+03 1.977713484e+03 1.977969866e+03 7.002157960e+02 1.229107792e+03 1.816678047e+03 7.909477826e+02 1.217247325e+03 0.84 1.781036794e+03 1.066170771e+03 1.576681153e+03 1.780976462e+03 1.781043078e+03 6.275655736e+02 1.096976909e+03 1.634778954e+03 7.029982825e+02 1.086451270e+03 0.86 1.606384986e+03 9.534979652e+02 1.420438441e+03 1.606071249e+03 1.606006815e+03 5.636200225e+02 9.802572064e+02 1.472794434e+03 6.258102161e+02 9.706907031e+02 0.88 1.450268839e+03 8.523478357e+02 1.280589960e+03 1.450091320e+03 1.450036095e+03 5.069556069e+02 8.768595272e+02 1.328028079e+03 5.579064295e+02 8.681805049e+02 0.90 1.310529863e+03 7.614237455e+02 1.155092974e+03 1.310636604e+03 1.310656989e+03 4.565897491e+02 7.849535611e+02 1.198484253e+03 4.979069756e+02 7.776139125e+02 0.92 1.185113829e+03 6.795386984e+02 1.041821855e+03 1.185489715e+03 1.185600035e+03 4.115868503e+02 7.030312491e+02 1.082296779e+03 4.447121080e+02 6.977466130e+02 0.94 1.072433861e+03 6.057607639e+02 9.393038495e+02 1.072880817e+03 1.073043634e+03 3.712152186e+02 6.300375566e+02 9.778456656e+02 3.974417918e+02 6.271830854e+02 0.96 9.710659668e+02 5.393802284e+02 8.465211414e+02 9.713665911e+02 9.715492823e+02 3.348692869e+02 5.649651711e+02 8.837365097e+02 3.553519225e+02 5.644376463e+02 0.98 8.795332996e+02 4.797054530e+02 7.625743426e+02 8.795954059e+02 8.797794340e+02 3.019954164e+02 5.068675126e+02 7.986202930e+02 3.178033480e+02 5.084233643e+02 1.00 7.964537820e+02 4.262595583e+02 6.867779313e+02 7.963742548e+02 7.965240950e+02 2.722714226e+02 4.548948218e+02 7.213538528e+02 2.842349027e+02 4.581142452e+02 1.02 7.209108274e+02 3.784841391e+02 6.183458697e+02 7.207303018e+02 7.207820799e+02 2.453989696e+02 4.082053439e+02 6.510790387e+02 2.542494182e+02 4.128389745e+02 1.04 6.520019960e+02 3.358434811e+02 5.562503654e+02 6.517935739e+02 6.517310134e+02 2.209371522e+02 3.661142782e+02 5.870140595e+02 2.274184335e+02 3.719242338e+02 1.06 5.890055158e+02 2.978231629e+02 4.998488313e+02 5.888663870e+02 5.887179274e+02 1.986001941e+02 3.281364616e+02 5.285451445e+02 2.033856862e+02 3.348008164e+02 1.08 5.314162121e+02 2.640566167e+02 4.487180518e+02 5.313892579e+02 5.312038415e+02 1.781965455e+02 2.938626666e+02 4.752640198e+02 1.818457518e+02 3.010802010e+02 1.10 4.788544676e+02 2.341900181e+02 4.024058868e+02 4.788897835e+02 4.787254334e+02 1.595112811e+02 2.628997610e+02 4.268134734e+02 1.624839552e+02 2.704807852e+02 1.12 4.309060276e+02 2.078645465e+02 3.605191736e+02 4.309828164e+02 4.308941735e+02 1.423880780e+02 2.349839238e+02 3.828089391e+02 1.450570671e+02 2.426619233e+02 1.14 3.872878391e+02 1.846751655e+02 3.227929384e+02 3.873468739e+02 3.873265890e+02 1.267795893e+02 2.098680294e+02 3.428928159e+02 1.293792243e+02 2.174433990e+02 1.16 3.477532417e+02 1.641281449e+02 2.889590283e+02 3.477132027e+02 3.477341825e+02 1.126399885e+02 1.873293331e+02 3.067440368e+02 1.152674558e+02 1.946831791e+02 1.18 3.117746587e+02 1.458983559e+02 2.586373815e+02 3.117043659e+02 3.117779918e+02 9.987161931e+01 1.671859429e+02 2.740162414e+02 1.025364300e+02 1.741212785e+02 1.20 2.790822430e+02 1.297769763e+02 2.315039083e+02 2.790854852e+02 2.792196222e+02 8.841648686e+01 1.492371085e+02 2.445471219e+02 9.107037094e+01 1.555990528e+02 1.22 2.495622488e+02 1.155911286e+02 2.072303804e+02 2.496675780e+02 2.498365551e+02 7.822372265e+01 1.332442688e+02 2.181997259e+02 8.075837974e+01 1.389966578e+02 1.24 2.230805845e+02 1.031571392e+02 1.854724454e+02 2.232598459e+02 2.234392058e+02 6.914846754e+01 1.189525332e+02 1.947986831e+02 7.153251135e+01 1.241628984e+02 1.26 1.994738305e+02 9.227489333e+01 1.659403277e+02 1.996917927e+02 1.998653825e+02 6.103482980e+01 1.062075183e+02 1.741283176e+02 6.333176576e+01 1.109064625e+02 1.28 1.785545309e+02 8.276307613e+01 1.484850642e+02 1.787793562e+02 1.789311088e+02 5.381581909e+01 9.487859139e+01 1.559503166e+02 5.607170916e+01 9.901480954e+01 1.30 1.601500595e+02 7.438723716e+01 1.329723077e+02 1.603196956e+02 1.604263490e+02 4.742489560e+01 8.482529737e+01 1.399948862e+02 4.964842269e+01 8.837391963e+01 1.32 1.440145830e+02 6.692110019e+01 1.192787632e+02 1.440584101e+02 1.440868128e+02 4.179568521e+01 7.592592838e+01 1.259201032e+02 4.394867489e+01 7.888559852e+01 1.34 1.297493490e+02 6.022239762e+01 1.072711796e+02 1.296852397e+02 1.296381940e+02 3.685670605e+01 6.806064461e+01 1.134527418e+02 3.887716431e+01 7.045472934e+01 1.36 1.171293413e+02 5.415829635e+01 9.672439511e+01 1.169829396e+02 1.168629605e+02 3.253057818e+01 6.108461297e+01 1.024093750e+02 3.436377006e+01 6.299063589e+01 1.38 1.059407624e+02 4.864343322e+01 8.742582577e+01 1.057385870e+02 1.055502248e+02 2.875379402e+01 5.487184023e+01 9.259657944e+01 3.034929294e+01 5.639046954e+01 1.40 9.592370562e+01 4.361347908e+01 7.914693113e+01 9.569936101e+01 9.547724116e+01 2.543139392e+01 4.930619307e+01 8.380941982e+01 2.678335052e+01 5.050607207e+01 1.42 8.693324795e+01 3.903562492e+01 7.173242294e+01 8.671585071e+01 8.649848107e+01 2.249577409e+01 4.428593412e+01 7.590589169e+01 2.361430523e+01 4.526172286e+01 1.44 7.883086252e+01 3.488693531e+01 6.507988046e+01 7.865481501e+01 7.847865974e+01 1.990011618e+01 3.973149823e+01 6.879548564e+01 2.079661250e+01 4.053791501e+01 1.46 7.152065517e+01 3.114872136e+01 5.910037646e+01 7.141509233e+01 7.130954162e+01 1.760353293e+01 3.559934212e+01 6.240381934e+01 1.828306549e+01 3.627445262e+01 1.48 6.493159607e+01 2.780206383e+01 5.371602874e+01 6.489709096e+01 6.486301459e+01 1.557001269e+01 3.183704953e+01 5.665940757e+01 1.604162563e+01 3.243750109e+01 1.50 5.900490406e+01 2.480888010e+01 4.885771137e+01 5.902806588e+01 5.905221993e+01 1.376729495e+01 2.840305418e+01 5.147016377e+01 1.404014359e+01 2.899975830e+01 1.52 5.368845555e+01 2.213153424e+01 4.445012123e+01 5.374975349e+01 5.381252833e+01 1.215837043e+01 2.527900819e+01 4.676582303e+01 1.224872754e+01 2.593697435e+01 1.54 4.892505711e+01 1.970766078e+01 4.042881824e+01 4.900284411e+01 4.908231674e+01 1.071344567e+01 2.243869973e+01 4.250445638e+01 1.064858307e+01 2.322069859e+01 1.56 4.461088643e+01 1.749239345e+01 3.673391607e+01 4.469576792e+01 4.478225031e+01 9.412530937e+00 1.987498563e+01 3.861521867e+01 9.219218542e+00 2.079119256e+01 1.58 4.063429941e+01 1.545454554e+01 3.333253258e+01 4.073316933e+01 4.083352752e+01 8.238666756e+00 1.757945932e+01 3.503528401e+01 7.938213407e+00 1.856793431e+01 1.60 3.696265227e+01 1.358113584e+01 3.020008816e+01 3.708081445e+01 3.720035612e+01 7.177429388e+00 1.552023346e+01 3.174195834e+01 6.777530763e+00 1.652900441e+01 1.62 3.357492879e+01 1.186200163e+01 2.727871020e+01 3.370430036e+01 3.383489475e+01 6.218933873e+00 1.365526211e+01 2.871778387e+01 5.723170212e+00 1.466049855e+01 1.64 3.045382444e+01 1.028745491e+01 2.453708857e+01 3.057957363e+01 3.070631328e+01 5.356728935e+00 1.196919862e+01 2.594712735e+01 4.766038236e+00 1.295066466e+01 1.66 2.758448416e+01 8.834438588e+00 2.197576464e+01 2.769378748e+01 2.780378967e+01 4.583821733e+00 1.044595633e+01 2.341494350e+01 3.898285777e+00 1.138924749e+01 1.68 2.495331697e+01 7.493197679e+00 1.959579200e+01 2.503578175e+01 2.511861422e+01 3.892584045e+00 9.052203207e+00 2.110563969e+01 3.112618832e+00 9.966887022e+00 1.70 2.254686257e+01 6.261600028e+00 1.739846067e+01 2.259503970e+01 2.264323810e+01 3.274406496e+00 7.774529918e+00 1.899054172e+01 2.402234189e+00 8.674566403e+00 1.72 2.035082054e+01 5.131315138e+00 1.538507385e+01 2.036075165e+01 2.037037178e+01 2.719670920e+00 6.606236723e+00 1.703593713e+01 1.761035120e+00 7.503157180e+00 1.74 1.834581937e+01 4.095827210e+00 1.355402018e+01 1.831830860e+01 1.829020018e+01 2.218076684e+00 5.541019975e+00 1.522463492e+01 1.183697411e+00 6.441475264e+00 1.76 1.649500949e+01 3.144833679e+00 1.189114169e+01 1.643933914e+01 1.638285447e+01 1.759353081e+00 4.572688165e+00 1.353747356e+01 6.648455286e-01 5.470554152e+00 1.78 1.477287886e+01 2.275265093e+00 1.039181676e+01 1.470186777e+01 1.462993362e+01 1.334306887e+00 3.694931982e+00 1.194749211e+01 1.993110249e-01 4.580252046e+00 1.80 1.314160679e+01 1.485031460e+00 9.050584805e+00 1.307157220e+01 1.300068030e+01 9.359583289e-01 2.900815660e+00 1.045323810e+01 -2.181355335e-01 3.761348721e+00 1.82 1.160043250e+01 7.736568371e-01 7.848076857e+00 1.154366883e+01 1.148624733e+01 5.631253062e-01 2.177695137e+00 9.055800848e+00 -5.933366552e-01 3.009731133e+00 1.84 1.015095939e+01 1.401844746e-01 6.741308758e+00 1.011000031e+01 1.006861425e+01 2.230068483e-01 1.517957940e+00 7.755807899e+00 -9.304379119e-01 2.321490734e+00 1.86 8.794194814e+00 -4.199084499e-01 5.720778104e+00 8.770120766e+00 8.745836709e+00 -8.623872436e-02 9.167529059e-01 6.553710519e+00 -1.232763616e+00 1.692599775e+00 1.88 7.530746073e+00 -9.220910215e-01 4.779438278e+00 7.523887105e+00 7.516977605e+00 -3.658634110e-01 3.688861123e-01 5.450042622e+00 -1.503623108e+00 1.119026516e+00 1.90 6.361198966e+00 -1.370707839e+00 3.899074197e+00 6.369883807e+00 6.378584184e+00 -6.004848378e-01 -1.315601628e-01 4.445385129e+00 -1.741253741e+00 5.968815273e-01 1.92 5.286411791e+00 -1.768444256e+00 3.073798331e+00 5.307771595e+00 5.329116415e+00 -7.874431828e-01 -5.875300451e-01 3.539858508e+00 -1.945379954e+00 1.225383098e-01 1.94 4.307448884e+00 -2.122495619e+00 2.302613209e+00 4.337709705e+00 4.367859659e+00 -9.312136858e-01 -1.001706730e+00 2.725911088e+00 -2.118594175e+00 -3.073175444e-01 1.96 3.424993432e+00 -2.439196826e+00 1.584374488e+00 3.459509462e+00 3.493811504e+00 -1.037463814e+00 -1.376715519e+00 1.995625413e+00 -2.263273106e+00 -6.957284983e-01 1.98 2.638326343e+00 -2.721045633e+00 9.179514405e-01 2.671933857e+00 2.705278171e+00 -1.113057270e+00 -1.715098701e+00 1.344934447e+00 -2.383140650e+00 -1.045573781e+00 2.00 1.944005384e+00 -2.970510072e+00 3.024521066e-01 1.971714371e+00 1.999195978e+00 -1.165944327e+00 -2.019282409e+00 7.550916548e-01 -2.482214289e+00 -1.359710268e+00 2.02 1.316779635e+00 -3.190998587e+00 -2.625844864e-01 1.337312612e+00 1.357683519e+00 -1.204908229e+00 -2.291551726e+00 2.141357709e-01 -2.564581232e+00 -1.642382133e+00 2.04 7.398463377e-01 -3.385347778e+00 -7.771390950e-01 7.542479290e-01 7.685446087e-01 -1.239122205e+00 -2.534045642e+00 -2.812518425e-01 -2.634182169e+00 -1.896880411e+00 2.06 2.098621720e-01 -3.555580090e+00 -1.240894073e+00 2.193846534e-01 2.288484380e-01 -1.277464087e+00 -2.748775621e+00 -7.349331350e-01 -2.692186344e+00 -2.125313677e+00 2.08 -2.762992329e-01 -3.703577355e+00 -1.653663330e+00 -2.702733850e-01 -2.642728958e-01 -1.327575191e+00 -2.937662467e+00 -1.150250430e+00 -2.731579528e+00 -2.329640449e+00 2.10 -7.215628465e-01 -3.831090461e+00 -2.015977391e+00 -7.176049433e-01 -7.136528743e-01 -1.394777826e+00 -3.101782085e+00 -1.529485954e+00 -2.754451930e+00 -2.511680491e+00 2.12 -1.128666319e+00 -3.939748301e+00 -2.329656309e+00 -1.125389175e+00 -1.122112032e+00 -1.481105894e+00 -3.236566005e+00 -1.874814874e+00 -2.764209903e+00 -2.673125095e+00 2.14 -1.500172797e+00 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