# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Zhou-X-W-Foster-M-E-Sills-R-B--Fe-Ni-Cr # implementation = 2018--Zhou-X-W--Fe-Ni-Cr--LAMMPS--ipr2 # 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 2.917578435e+02 nan 0.74 nan nan nan nan nan nan nan nan 2.628811560e+02 nan 0.76 nan nan nan nan nan nan nan nan 2.372167057e+02 nan 0.78 nan nan nan nan nan 1.833966450e+02 nan nan 2.143467228e+02 nan 0.80 nan nan nan nan nan 1.659494032e+02 nan nan 1.938948395e+02 nan 0.82 nan nan nan nan nan 1.502919303e+02 nan nan 1.755400419e+02 nan 0.84 nan nan nan nan nan 1.362192890e+02 nan nan 1.590265337e+02 nan 0.86 nan nan nan nan nan 1.235685989e+02 nan nan 1.441541709e+02 nan 0.88 nan nan nan 3.001867153e+02 3.001848263e+02 1.121859686e+02 nan nan 1.307559408e+02 1.931516516e+02 0.90 nan 1.738665535e+02 nan 2.753992887e+02 2.753829483e+02 1.019218884e+02 1.784987868e+02 nan 1.186807736e+02 1.763305571e+02 0.92 nan 1.586046727e+02 nan 2.528750126e+02 2.528576598e+02 9.264005672e+01 1.630362457e+02 nan 1.077874841e+02 1.610403125e+02 0.94 nan 1.447499644e+02 nan 2.323745231e+02 2.323700072e+02 8.422642453e+01 1.489888665e+02 nan 9.794561768e+01 1.471231948e+02 0.96 nan 1.321564617e+02 nan 2.136812144e+02 2.136954534e+02 7.659445987e+01 1.361847452e+02 nan 8.903814632e+01 1.344633027e+02 0.98 nan 1.207002221e+02 nan 1.966034329e+02 1.966314872e+02 6.968175162e+01 1.244948511e+02 nan 8.096196723e+01 1.229598715e+02 1.00 nan 1.102696626e+02 1.607327705e+02 1.809794444e+02 1.810089405e+02 6.343578453e+01 1.138244340e+02 1.667752136e+02 7.362534594e+01 1.125077413e+02 1.02 1.666477033e+02 1.007596954e+02 1.477834577e+02 1.666750979e+02 1.666933623e+02 5.779739410e+01 1.040935066e+02 1.534521461e+02 6.694564556e+01 1.029977768e+02 1.04 1.535914665e+02 9.207408939e+01 1.359590742e+02 1.535731179e+02 1.535733849e+02 5.269456007e+01 9.522395692e+01 1.412559051e+02 6.085040059e+01 9.432709812e+01 1.06 1.416136273e+02 8.413036767e+01 1.251340529e+02 1.415629436e+02 1.415464389e+02 4.805034200e+01 8.713802964e+01 1.300641454e+02 5.528033324e+01 8.640416656e+01 1.08 1.305973402e+02 7.686003313e+01 1.151912960e+02 1.305382088e+02 1.305123554e+02 4.379690539e+01 7.976054047e+01 1.197708317e+02 5.018975425e+01 7.914698164e+01 1.10 1.204455511e+02 7.020385790e+01 1.060327961e+02 1.204006531e+02 1.203756403e+02 3.988453398e+01 7.301893754e+01 1.102890463e+02 4.554219431e+01 7.248209760e+01 1.12 1.110804511e+02 6.410710951e+01 9.758252322e+01 1.110644465e+02 1.110498432e+02 3.628131535e+01 6.684301862e+01 1.015499223e+02 4.130400449e+01 6.634821632e+01 1.14 1.024389819e+02 5.851815394e+01 8.978308545e+01 1.024566976e+02 1.024586391e+02 3.296703226e+01 6.116785098e+01 9.349793011e+01 3.744043141e+01 6.069993461e+01 1.16 9.446747767e+01 5.338985509e+01 8.258931201e+01 9.451463024e+01 9.453401708e+01 2.992657056e+01 5.593900337e+01 8.608484721e+01 3.391595259e+01 5.550578014e+01 1.18 8.711783931e+01 4.868109016e+01 7.596111369e+01 8.718253210e+01 8.721490039e+01 2.714528551e+01 5.111569832e+01 7.926469812e+01 3.069700755e+01 5.074012781e+01 1.20 8.034528175e+01 4.435652766e+01 6.985857134e+01 8.041045737e+01 8.044767960e+01 2.460642110e+01 4.666894104e+01 7.299091228e+01 2.775415910e+01 4.637436678e+01 1.22 7.410638242e+01 4.038476555e+01 6.424118558e+01 7.415398416e+01 7.418702494e+01 2.229041536e+01 4.257594265e+01 6.721580442e+01 2.506232587e+01 4.237312065e+01 1.24 6.835702692e+01 3.673624528e+01 5.906999863e+01 6.837350595e+01 6.839504940e+01 2.017600283e+01 3.881448952e+01 6.189179335e+01 2.259964442e+01 3.869708049e+01 1.26 6.305142838e+01 3.338249219e+01 5.430911849e+01 6.303256593e+01 6.303865359e+01 1.824233953e+01 3.535997142e+01 5.697359021e+01 2.034616321e+01 3.530922769e+01 1.28 5.814375540e+01 3.029682917e+01 4.992462809e+01 5.809623838e+01 5.808665627e+01 1.647076673e+01 3.218542326e+01 5.242058111e+01 1.828310236e+01 3.217981211e+01 1.30 5.359199963e+01 2.745531801e+01 4.588211768e+01 5.353061489e+01 5.350825198e+01 1.484528128e+01 2.926338698e+01 4.819846028e+01 1.639271252e+01 2.928750224e+01 1.32 4.936155623e+01 2.483679370e+01 4.214562066e+01 4.930342170e+01 4.927309524e+01 1.335183019e+01 2.656832923e+01 4.427944672e+01 1.465849462e+01 2.661711612e+01 1.34 4.542622183e+01 2.242213801e+01 3.867954460e+01 4.538505629e+01 4.535234078e+01 1.197746417e+01 2.407866449e+01 4.064113104e+01 1.306549377e+01 2.415611042e+01 1.36 4.176639657e+01 2.019382434e+01 3.545261546e+01 4.174928200e+01 4.171966114e+01 1.071017728e+01 2.177767952e+01 3.726467001e+01 1.160044907e+01 2.189187436e+01 1.38 3.836602649e+01 1.813624829e+01 3.244122719e+01 3.837324151e+01 3.835158181e+01 9.539450018e+00 1.965302476e+01 3.413314214e+01 1.025169513e+01 1.981061982e+01 1.40 3.521011176e+01 1.623633178e+01 2.963026740e+01 3.523694314e+01 3.522705998e+01 8.456941715e+00 1.769502232e+01 3.123043969e+01 9.008921176e+00 1.789766910e+01 1.42 3.228342464e+01 1.448347650e+01 2.701112629e+01 3.232250754e+01 3.232665628e+01 7.456674650e+00 1.589462859e+01 2.854065912e+01 7.862966726e+00 1.613830300e+01 1.44 2.957020497e+01 1.286861258e+01 2.457820599e+01 2.961351541e+01 2.963187313e+01 6.534532370e+00 1.424196109e+01 2.604789646e+01 6.805774177e+00 1.451848936e+01 1.46 2.705431515e+01 1.138290851e+01 2.232562080e+01 2.709466358e+01 2.712509061e+01 5.687304066e+00 1.272585523e+01 2.373640209e+01 5.830441843e+00 1.302519226e+01 1.48 2.471956745e+01 1.001701319e+01 2.024517337e+01 2.475170387e+01 2.479004009e+01 4.911704905e+00 1.133427154e+01 2.159109344e+01 4.931200942e+00 1.164634720e+01 1.50 2.255023327e+01 8.761214789e+00 1.832587618e+01 2.257155492e+01 2.261246701e+01 4.203695490e+00 1.005504977e+01 1.959827092e+01 4.103213016e+00 1.037078797e+01 1.52 2.053175863e+01 7.606254444e+00 1.655468129e+01 2.054243947e+01 2.058054394e+01 3.558243931e+00 8.876563468e+00 1.774626508e+01 3.342242773e+00 9.188277471e+00 1.54 1.865155630e+01 6.544103841e+00 1.491782049e+01 1.865395875e+01 1.868482045e+01 2.969474088e+00 7.788110432e+00 1.602571722e+01 2.644361717e+00 8.089699372e+00 1.56 1.689961333e+01 5.568192744e+00 1.340215791e+01 1.689710196e+01 1.691780680e+01 2.431028150e+00 6.780106258e+00 1.442934941e+01 2.005807261e+00 7.067275469e+00 1.58 1.526856423e+01 4.672975881e+00 1.199617120e+01 1.526414389e+01 1.527338302e+01 1.936511185e+00 5.844219629e+00 1.295121566e+01 1.422972347e+00 6.114652420e+00 1.60 1.375312679e+01 3.853136141e+00 1.069041397e+01 1.374840870e+01 1.374621803e+01 1.479934473e+00 4.973509807e+00 1.158568069e+01 8.924202555e-01 5.226805315e+00 1.62 1.234901799e+01 3.102876825e+00 9.477536673e+00 1.234385879e+01 1.233123520e+01 1.056126656e+00 4.162519148e+00 1.032643448e+01 4.108146233e-01 4.399804994e+00 1.64 1.105168865e+01 2.415629767e+00 8.352012148e+00 1.104456320e+01 1.102313595e+01 6.610814021e-01 3.407216789e+00 9.165906915e+00 -2.523413615e-02 3.630555679e+00 1.66 9.855300075e+00 1.784280153e+00 7.309643004e+00 9.844168475e+00 9.815988294e+00 2.921348666e-01 2.704747588e+00 8.095247449e+00 -4.193367726e-01 2.916579903e+00 1.68 8.752277219e+00 1.201758138e+00 6.346927340e+00 8.735571824e+00 8.702991596e+00 -5.209585405e-02 2.053013814e+00 7.104874964e+00 -7.753748662e-01 2.255876686e+00 1.70 7.733521843e+00 6.617432274e-01 5.460333262e+00 7.710914619e+00 7.676497935e+00 -3.720427683e-01 1.450197331e+00 6.185356588e+00 -1.097374045e+00 1.646769086e+00 1.72 6.789210613e+00 1.592319491e-01 4.645636535e+00 6.761937693e+00 6.728338486e+00 -6.676918638e-01 8.943503486e-01 5.328307100e+00 -1.389228218e+00 1.087726669e+00 1.74 5.909866604e+00 -3.091978525e-01 3.897509434e+00 5.880572736e+00 5.850369100e+00 -9.391077826e-01 3.831548316e-01 4.527017187e+00 -1.654380444e+00 5.771292860e-01 1.76 5.087372287e+00 -7.454625485e-01 3.209516545e+00 5.059565778e+00 5.035068349e+00 -1.186814203e+00 -8.611724366e-02 3.776662968e+00 -1.895596549e+00 1.130360101e-01 1.78 4.315589227e+00 -1.150315770e+00 2.574531655e+00 4.292916538e+00 4.275989271e+00 -1.411942679e+00 -5.164716333e-01 3.074093975e+00 -2.114907702e+00 -3.070132980e-01 1.80 3.590478956e+00 -1.523828566e+00 1.985437905e+00 3.576032228e+00 3.567963676e+00 -1.616153919e+00 -9.109457560e-01 2.417364434e+00 -2.313737756e+00 -6.860701602e-01 1.82 2.909766709e+00 -1.865866268e+00 1.435876061e+00 2.905587609e+00 2.907020796e+00 -1.801408777e+00 -1.272355313e+00 1.805177777e+00 -2.493147795e+00 -1.027701625e+00 1.84 2.272339868e+00 -2.176475897e+00 9.207985883e-01 2.279198692e+00 2.290114194e+00 -1.969700418e+00 -1.603098360e+00 1.236411788e+00 -2.654104797e+00 -1.335772293e+00 1.86 1.677629968e+00 -2.456137414e+00 4.367030255e-01 1.695050919e+00 1.714781332e+00 -2.122832551e+00 -1.905070892e+00 7.098096945e-01 -2.797681700e+00 -1.614117491e+00 1.88 1.125107688e+00 -2.705891625e+00 -1.850081059e-02 1.151570669e+00 1.178838916e+00 -2.262313240e+00 -2.179705936e+00 2.238258347e-01 -2.925152173e+00 -1.866223475e+00 1.90 6.139780815e-01 -2.927363901e+00 -4.458657907e-01 6.472023655e-01 6.801874191e-01 -2.389356145e+00 -2.428102045e+00 -2.234053233e-01 -3.037974476e+00 -2.094987253e+00 1.92 1.430304634e-01 -3.122710301e+00 -8.458844181e-01 1.802764178e-01 2.167237155e-01 -2.504963802e+00 -2.651200663e+00 -6.340379968e-01 -3.137699688e+00 -2.302640391e+00 1.94 -2.894140141e-01 -3.294500703e+00 -1.218915274e+00 -2.510538816e-01 -2.136641500e-01 -2.610015661e+00 -2.849951021e+00 -1.010456677e+00 -3.225859313e+00 -2.490847543e+00 1.96 -6.855048121e-01 -3.445553466e+00 -1.565468929e+00 -6.488389948e-01 -6.130699889e-01 -2.705347537e+00 -3.025434091e+00 -1.355206029e+00 -3.303867692e+00 -2.660934435e+00 1.98 -1.047822267e+00 -3.578733518e+00 -1.886316884e+00 -1.015323765e+00 -9.835347889e-01 -2.791786070e+00 -3.178929710e+00 -1.670905955e+00 -3.372969517e+00 -2.814148878e+00 2.00 -1.379287172e+00 -3.696746508e+00 -2.182468547e+00 -1.352902538e+00 -1.327019486e+00 -2.870137836e+00 -3.311930983e+00 -1.960156979e+00 -3.434216396e+00 -2.951866157e+00 2.02 -1.683004394e+00 -3.801955121e+00 -2.455063940e+00 -1.664030085e+00 -1.645379338e+00 -2.941141855e+00 -3.426125029e+00 -2.225424759e+00 -3.488474240e+00 -3.075667999e+00 2.04 -1.962052563e+00 -3.896251265e+00 -2.705249082e+00 -1.951096689e+00 -1.940333278e+00 -3.005420460e+00 -3.523353324e+00 -2.468945491e+00 -3.536464363e+00 -3.187285763e+00 2.06 -2.219254042e+00 -3.980992515e+00 -2.934076239e+00 -2.216285278e+00 -2.213422464e+00 -3.063393757e+00 -3.605566746e+00 -2.692638230e+00 -3.578796110e+00 -3.288444637e+00 2.08 -2.456989286e+00 -4.057025982e+00 -3.142448837e+00 -2.461455420e+00 -2.465976361e+00 -3.114947986e+00 -3.674774345e+00 -2.898077076e+00 -3.615975769e+00 -3.380674851e+00 2.10 -2.677068273e+00 -4.124767565e+00 -3.331111666e+00 -2.688060826e+00 -2.699079915e+00 -3.159778946e+00 -3.732985283e+00 -3.086503149e+00 -3.648409397e+00 -3.465158219e+00 2.12 -2.880737612e+00 -4.184324999e+00 -3.500674770e+00 -2.897154445e+00 -2.913583337e+00 -3.197610574e+00 -3.782139906e+00 -3.258891931e+00 -3.676352315e+00 -3.542656878e+00 2.14 -3.068770235e+00 -4.235635140e+00 -3.651661339e+00 -3.089451390e+00 -3.110137700e+00 -3.228194586e+00 -3.824031630e+00 -3.416047140e+00 -3.699567866e+00 -3.613539036e+00 2.16 -3.241629700e+00 -4.278591420e+00 -3.784556944e+00 -3.265442701e+00 -3.289258124e+00 -3.251312948e+00 -3.860225568e+00 -3.558700485e+00 -3.717646334e+00 -3.677885367e+00 2.18 -3.399657474e+00 -4.313143383e+00 -3.899878515e+00 -3.425532710e+00 -3.451408832e+00 -3.266788455e+00 -3.891995838e+00 -3.687590924e+00 -3.730257220e+00 -3.735636421e+00 2.20 -3.543237096e+00 -4.339344157e+00 -3.998218111e+00 -3.570158267e+00 -3.597079748e+00 -3.274489782e+00 -3.920268517e+00 -3.803508508e+00 -3.737146713e+00 -3.786723964e+00 2.22 -3.672902141e+00 -4.357373958e+00 -4.080307447e+00 -3.699877944e+00 -3.726853746e+00 -3.274357657e+00 -3.945620909e+00 -3.907291648e+00 -3.738144159e+00 -3.831179142e+00 2.24 -3.789376802e+00 -4.367540604e+00 -4.147060248e+00 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