# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Kushnerov-O-I-Ryabtsev-S-I-Bashev-V-F--Co-Cr-Fe-Ni-Mn-Al # implementation = 2025--Kushnerov-O-I--Co-Cr-Fe-Ni-Mn-Al--LAMMPS--ipr1 # composition = Cr # 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 2025-07-01 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 nan nan 0.76 nan nan nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan nan nan nan 5.151105551e+02 nan 0.80 nan nan nan nan nan nan nan nan 4.657283571e+02 nan 0.82 nan nan nan nan nan nan nan nan 4.216605195e+02 nan 0.84 nan nan nan nan nan 3.286538574e+02 nan nan 3.820710503e+02 nan 0.86 nan nan nan nan nan 2.983052636e+02 nan nan 3.463833296e+02 nan 0.88 nan nan nan nan nan 2.710825336e+02 nan nan 3.144303423e+02 nan 0.90 nan nan nan nan nan 2.466081836e+02 nan nan 2.855503791e+02 nan 0.92 nan nan nan nan nan 2.244120980e+02 nan nan 2.594669755e+02 nan 0.94 nan nan nan nan nan 2.045025266e+02 nan nan 2.359957656e+02 nan 0.96 nan 3.168039719e+02 nan 5.121995082e+02 5.121775956e+02 1.864286913e+02 nan nan 2.146885891e+02 3.228008362e+02 0.98 nan 2.892783735e+02 nan 4.712936092e+02 4.713186273e+02 1.699199311e+02 2.985923959e+02 nan 1.952991204e+02 2.953524153e+02 1.00 nan 2.643494641e+02 nan 4.336541757e+02 4.336498734e+02 1.551469017e+02 2.730985181e+02 nan 1.777612136e+02 2.705111635e+02 1.02 nan 2.415650567e+02 nan 3.994063884e+02 3.994182124e+02 1.415977566e+02 2.500230161e+02 nan 1.619261241e+02 2.475359967e+02 1.04 nan 2.209202199e+02 nan 3.680434987e+02 3.680730943e+02 1.292203311e+02 2.288881036e+02 nan 1.474481291e+02 2.268717573e+02 1.06 nan 2.019789869e+02 nan 3.391673106e+02 3.391854036e+02 1.180839969e+02 2.096436579e+02 nan 1.342812746e+02 2.078221969e+02 1.08 nan 1.846628859e+02 2.758760395e+02 3.126267380e+02 3.126079920e+02 1.080490206e+02 1.920541299e+02 2.868095091e+02 1.223192087e+02 1.904725184e+02 1.10 2.885813436e+02 1.689403095e+02 2.541012766e+02 2.884507553e+02 2.884335650e+02 9.880115710e+01 1.758424592e+02 2.642481802e+02 1.114735320e+02 1.747544183e+02 1.12 2.660737571e+02 1.544017720e+02 2.338675254e+02 2.660647731e+02 2.660425272e+02 9.033094493e+01 1.611854471e+02 2.433772991e+02 1.015328999e+02 1.601203353e+02 1.14 2.456548774e+02 1.412720964e+02 2.152160763e+02 2.456127912e+02 2.456680282e+02 8.253197398e+01 1.476362633e+02 2.242608865e+02 9.246372420e+01 1.466908018e+02 1.16 2.265685048e+02 1.290996783e+02 1.982151493e+02 2.266771619e+02 2.267272308e+02 7.548377528e+01 1.352129341e+02 2.066619302e+02 8.413712092e+01 1.345342342e+02 1.18 2.090705728e+02 1.180334204e+02 1.825073279e+02 2.091556531e+02 2.091734552e+02 6.904406693e+01 1.238685537e+02 1.904933929e+02 7.658434062e+01 1.234558466e+02 1.20 1.930185936e+02 1.077506846e+02 1.683511358e+02 1.930908478e+02 1.931088476e+02 6.320185018e+01 1.134205577e+02 1.755907946e+02 6.968816701e+01 1.130734873e+02 1.22 1.783590735e+02 9.850329264e+01 1.550053555e+02 1.783147737e+02 1.783310593e+02 5.781853793e+01 1.038661119e+02 1.618758131e+02 6.336554587e+01 1.036455867e+02 1.24 1.646053047e+02 8.983938038e+01 1.426327138e+02 1.646199071e+02 1.646172298e+02 5.281430111e+01 9.499213711e+01 1.492190463e+02 5.759756522e+01 9.511219057e+01 1.26 1.519816745e+02 8.207083753e+01 1.313992339e+02 1.519390941e+02 1.519340434e+02 4.826641200e+01 8.687384104e+01 1.375618355e+02 5.228960176e+01 8.710394620e+01 1.28 1.402753096e+02 7.476500192e+01 1.209342683e+02 1.401718590e+02 1.401539005e+02 4.411827569e+01 7.953655947e+01 1.266828289e+02 4.746907633e+01 7.971377291e+01 1.30 1.293741502e+02 6.819774301e+01 1.113104699e+02 1.293838574e+02 1.293999614e+02 4.036987191e+01 7.272115548e+01 1.166466442e+02 4.307220292e+01 7.296084995e+01 1.32 1.194213263e+02 6.205218042e+01 1.023201783e+02 1.194100713e+02 1.194064828e+02 3.682574815e+01 6.649023461e+01 1.073761288e+02 3.901314059e+01 6.668059177e+01 1.34 1.100651427e+02 5.637392515e+01 9.423024678e+01 1.101448172e+02 1.101422639e+02 3.361303774e+01 6.062698081e+01 9.888352836e+01 3.531548871e+01 6.090576027e+01 1.36 1.014796685e+02 5.125472165e+01 8.653970078e+01 1.015525096e+02 1.015873892e+02 3.062849772e+01 5.528644799e+01 9.095569803e+01 3.193476228e+01 5.566225747e+01 1.38 9.361146702e+01 4.652696428e+01 7.945344729e+01 9.363901331e+01 9.367015083e+01 2.790751349e+01 5.033614719e+01 8.365275241e+01 2.880461117e+01 5.091412129e+01 1.40 8.617435424e+01 4.211041666e+01 7.288810295e+01 8.623641718e+01 8.626424048e+01 2.539239048e+01 4.581944433e+01 7.689458804e+01 2.599390120e+01 4.639116079e+01 1.42 7.936030904e+01 3.812553097e+01 6.682045065e+01 7.936198873e+01 7.936910230e+01 2.308344581e+01 4.167710416e+01 7.060687412e+01 2.336718184e+01 4.230001367e+01 1.44 7.297589746e+01 3.450171846e+01 6.141431734e+01 7.301145030e+01 7.301805791e+01 2.106464966e+01 3.787655616e+01 6.485256605e+01 2.104663498e+01 3.846070160e+01 1.46 6.727166324e+01 3.107814858e+01 5.635538997e+01 6.720882389e+01 6.720768162e+01 1.925628688e+01 3.430450292e+01 5.952202001e+01 1.883087633e+01 3.499663507e+01 1.48 6.176901301e+01 2.791694666e+01 5.152134040e+01 6.174984268e+01 6.174914099e+01 1.743954363e+01 3.104174602e+01 5.454187193e+01 1.681339489e+01 3.173568492e+01 1.50 5.675832072e+01 2.501503305e+01 4.705207076e+01 5.678255697e+01 5.678223117e+01 1.577126317e+01 2.804774019e+01 4.991974541e+01 1.495130039e+01 2.883873089e+01 1.52 5.202486474e+01 2.246163590e+01 4.299298874e+01 5.204676796e+01 5.204676096e+01 1.423911837e+01 2.530901095e+01 4.567599794e+01 1.329267304e+01 2.606410930e+01 1.54 4.778105592e+01 2.004100432e+01 3.930605938e+01 4.774747853e+01 4.772994582e+01 1.290305581e+01 2.279164240e+01 4.172496287e+01 1.173319231e+01 2.365298157e+01 1.56 4.370075293e+01 1.778414960e+01 3.574981550e+01 4.370902995e+01 4.369366715e+01 1.160269992e+01 2.052647278e+01 3.806752947e+01 1.030895318e+01 2.128762315e+01 1.58 3.995688863e+01 1.573336996e+01 3.248690010e+01 3.994605197e+01 3.993260798e+01 1.043324712e+01 1.836744286e+01 3.464676453e+01 9.072971159e+00 1.913020652e+01 1.60 3.644925942e+01 1.383473529e+01 2.944507915e+01 3.647629260e+01 3.650097155e+01 9.333980720e+00 1.643101571e+01 3.146918955e+01 7.916479617e+00 1.712681109e+01 1.62 3.319900465e+01 1.221888894e+01 2.663345830e+01 3.325936365e+01 3.328170721e+01 8.324656704e+00 1.457809052e+01 2.857860984e+01 6.824296925e+00 1.528453793e+01 1.64 3.032929016e+01 1.061328728e+01 2.403494443e+01 3.029488689e+01 3.029737924e+01 7.398038052e+00 1.288920939e+01 2.590076604e+01 5.847141522e+00 1.359085274e+01 1.66 2.752431756e+01 9.144186158e+00 2.170419540e+01 2.754642014e+01 2.756643688e+01 6.547502463e+00 1.132673078e+01 2.340067619e+01 4.938661778e+00 1.203423941e+01 1.68 2.492618137e+01 7.800846834e+00 1.954879783e+01 2.496373479e+01 2.498187436e+01 5.802038774e+00 9.893445052e+00 2.106417893e+01 4.129069024e+00 1.060411040e+01 1.70 2.251997874e+01 6.573393087e+00 1.748638529e+01 2.255388626e+01 2.257032791e+01 5.082448246e+00 8.639890899e+00 1.895104646e+01 3.420097828e+00 9.430850830e+00 1.72 2.029194055e+01 5.526964908e+00 1.558239964e+01 2.035770048e+01 2.037260600e+01 4.422580474e+00 7.429721395e+00 1.699884473e+01 2.739804667e+00 8.211266019e+00 1.74 1.822933667e+01 4.552049013e+00 1.389604847e+01 1.828866275e+01 1.830217821e+01 3.888502839e+00 6.346656670e+00 1.514581751e+01 2.113660657e+00 7.092593463e+00 1.76 1.653506562e+01 3.626567015e+00 1.226818311e+01 1.646336106e+01 1.645772867e+01 3.327436037e+00 5.330307121e+00 1.355241034e+01 1.583679196e+00 6.138644969e+00 1.78 1.474819935e+01 2.766250710e+00 1.076726237e+01 1.468332061e+01 1.467827192e+01 2.813755833e+00 4.436392907e+00 1.196153281e+01 1.075377545e+00 5.192272324e+00 1.80 1.309597538e+01 1.984218737e+00 9.384071692e+00 1.307430235e+01 1.306977941e+01 2.343747048e+00 3.584260985e+00 1.053084273e+01 6.243201467e-01 4.326004251e+00 1.82 1.164465510e+01 1.299585428e+00 8.204844129e+00 1.158719582e+01 1.156419369e+01 1.913994330e+00 2.830541224e+00 9.186775436e+00 2.087731801e-01 3.558974544e+00 1.84 1.022674317e+01 6.537918315e-01 7.023374267e+00 1.017471114e+01 1.015389125e+01 1.521356308e+00 2.204212676e+00 7.935371030e+00 -1.559584209e-01 2.832639497e+00 1.86 8.917519183e+00 1.071797068e-01 6.078351669e+00 8.923523130e+00 8.922386216e+00 1.233767078e+00 1.549107453e+00 6.832048095e+00 -4.656855268e-01 2.169601434e+00 1.88 7.709310381e+00 -3.672608880e-01 5.066662104e+00 7.733225198e+00 7.732258837e+00 9.004363921e-01 9.534994055e-01 5.792185706e+00 -7.709035433e-01 1.565014424e+00 1.90 6.671134086e+00 -8.321356889e-01 4.137737955e+00 6.664464301e+00 6.654129795e+00 5.968072114e-01 4.127776619e-01 4.835865930e+00 -1.052697848e+00 1.090540024e+00 1.92 5.637333602e+00 -1.269036547e+00 3.285576375e+00 5.631340981e+00 5.621982692e+00 3.205665882e-01 -7.731700115e-02 3.931631956e+00 -1.304199658e+00 5.829962164e-01 1.94 4.685277263e+00 -1.660972571e+00 2.540882678e+00 4.685939028e+00 4.677464862e+00 1.058555015e-01 -5.207200836e-01 3.101598767e+00 -1.509499443e+00 1.220684008e-01 1.96 3.809207120e+00 -2.011545914e+00 1.822766897e+00 3.848012415e+00 3.840338771e+00 -1.250162209e-01 -8.957608515e-01 2.340437854e+00 -1.691226586e+00 -2.958309243e-01 1.98 3.003772039e+00 -2.324083644e+00 1.166164629e+00 3.039295006e+00 3.032346014e+00 -3.341321383e-01 -1.239532792e+00 1.667278934e+00 -1.851365227e+00 -6.740189477e-01 2.00 2.337719236e+00 -2.601659234e+00 5.666012052e-01 2.333374158e+00 2.327080981e+00 -5.231894238e-01 -1.567234565e+00 1.076448772e+00 -1.990393621e+00 -9.418416800e-01 2.02 1.652713802e+00 -2.847112261e+00 1.992168898e-02 1.648746278e+00 1.643046479e+00 -6.937544731e-01 -1.860918403e+00 4.875304577e-01 -2.130192614e+00 -1.255845834e+00 2.04 1.024969290e+00 -3.063066491e+00 -4.777329684e-01 1.057283231e+00 1.088058184e+00 -8.472734527e-01 -2.073354741e+00 -2.464203537e-02 -2.251690483e+00 -1.538140290e+00 2.06 4.504363621e-01 -3.198546380e+00 -9.299478529e-01 4.800577568e-01 5.083131764e-01 -9.850819406e-01 -2.298791515e+00 -5.161711128e-01 -2.356466063e+00 -1.791200100e+00 2.08 -7.465331613e-02 -3.348629675e+00 -1.340054265e+00 -4.750224632e-02 -2.156237148e-02 -1.108413740e+00 -2.510569647e+00 -9.631234761e-01 -2.445972368e+00 -2.017315812e+00 2.10 -4.786444812e-01 -3.482314548e+00 -1.643244106e+00 -4.904970746e-01 -4.816557392e-01 -1.186343873e+00 -2.687544030e+00 -1.305096756e+00 -2.521546663e+00 -2.156620347e+00 2.12 -8.850772851e-01 -3.599104088e+00 -1.952583970e+00 -9.148789162e-01 -9.105581867e-01 -1.269359330e+00 -2.825281881e+00 -1.673163635e+00 -2.566247539e+00 -2.309359068e+00 2.14 -1.290435322e+00 -3.706916451e+00 -2.261642528e+00 -1.317893112e+00 -1.313952180e+00 -1.359541868e+00 -2.971381863e+00 -2.010035078e+00 -2.619014693e+00 -2.473830088e+00 2.16 -1.658312401e+00 -3.796753124e+00 -2.539121517e+00 -1.683611162e+00 -1.680018374e+00 -1.439012186e+00 -3.073279729e+00 -2.313586174e+00 -2.661138350e+00 -2.618368073e+00 2.18 -1.991402170e+00 -3.870167586e+00 -2.787383435e+00 -2.014712255e+00 -2.011438574e+00 -1.508627852e+00 -3.171802755e+00 -2.586276935e+00 -2.674936525e+00 -2.744576456e+00 2.20 -2.292213718e+00 -3.928595023e+00 -3.008625066e+00 -2.278167288e+00 -2.275186077e+00 -1.569182050e+00 -3.241688501e+00 -2.830396186e+00 -2.700059131e+00 -2.853939757e+00 2.22 -2.563084528e+00 -3.973361180e+00 -3.204889267e+00 -2.550117667e+00 -2.547404493e+00 -1.621408517e+00 -3.298588813e+00 -3.048073684e+00 -2.717104798e+00 -2.947832429e+00 2.24 -2.788047499e+00 -3.969400603e+00 -3.305496013e+00 -2.785151208e+00 -2.791756136e+00 -1.593406235e+00 -3.368175529e+00 -3.229194682e+00 -2.726836736e+00 -2.991237102e+00 2.26 -3.006807419e+00 -3.993194955e+00 -3.462914026e+00 -3.004141067e+00 -3.010278288e+00 -1.636505147e+00 -3.424713901e+00 -3.400720568e+00 -2.729956956e+00 -3.060682883e+00 2.28 -3.201619402e+00 -4.006516275e+00 -3.600242714e+00 -3.199165986e+00 -3.204869372e+00 -1.672742590e+00 -3.469327580e+00 -3.551277241e+00 -2.727111050e+00 -3.117988614e+00 2.30 -3.374253786e+00 -4.010344177e+00 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