# 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 = CoCr3 # 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 A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 2.996522792e+02 nan nan 0.98 2.735572867e+02 nan nan 1.00 2.499333790e+02 nan nan 1.02 2.283360577e+02 nan nan 1.04 2.087769870e+02 nan nan 1.06 1.908239562e+02 nan nan 1.08 1.744146140e+02 2.608662194e+02 nan 1.10 1.595173838e+02 2.402394003e+02 2.729258401e+02 1.12 1.457337463e+02 2.210554572e+02 2.515816210e+02 1.14 1.332990536e+02 2.033677690e+02 2.322387409e+02 1.16 1.217596290e+02 1.872563684e+02 2.141377830e+02 1.18 1.112774868e+02 1.723663074e+02 1.975496829e+02 1.20 1.015275173e+02 1.589694306e+02 1.823385245e+02 1.22 9.277348032e+01 1.463180331e+02 1.684579491e+02 1.24 8.455890600e+01 1.345845674e+02 1.554194655e+02 1.26 7.720850237e+01 1.239110416e+02 1.434582748e+02 1.28 7.028225461e+01 1.140257475e+02 1.323639546e+02 1.30 6.406574496e+01 1.049074705e+02 1.220274613e+02 1.32 5.824305566e+01 9.638247837e+01 1.125998326e+02 1.34 5.286077959e+01 8.872713343e+01 1.037272626e+02 1.36 4.801427419e+01 8.143459915e+01 9.559138494e+01 1.38 4.353922315e+01 7.471721044e+01 8.814148378e+01 1.40 3.935424820e+01 6.849316520e+01 8.108945018e+01 1.42 3.558433863e+01 6.274174544e+01 7.463415377e+01 1.44 3.216024559e+01 5.763274921e+01 6.858128483e+01 1.46 2.891943561e+01 5.284820804e+01 6.318902519e+01 1.48 2.592544485e+01 4.826559369e+01 5.797195455e+01 1.50 2.317784785e+01 4.402956348e+01 5.322835802e+01 1.52 2.076978677e+01 4.018832031e+01 4.874133144e+01 1.54 1.848041208e+01 3.670490988e+01 4.472938559e+01 1.56 1.634473936e+01 3.333476301e+01 4.086183982e+01 1.58 1.440622085e+01 3.024511521e+01 3.731657209e+01 1.60 1.261087836e+01 2.736368827e+01 3.399292083e+01 1.62 1.109256231e+01 2.470102598e+01 3.091382218e+01 1.64 9.574885254e+00 2.224086894e+01 2.820614722e+01 1.66 8.186982732e+00 2.004002979e+01 2.554916165e+01 1.68 6.918631373e+00 1.800531198e+01 2.308875765e+01 1.70 5.760429595e+00 1.605363779e+01 2.081075770e+01 1.72 4.777954734e+00 1.425254686e+01 1.870206399e+01 1.74 3.864224921e+00 1.266323808e+01 1.675056800e+01 1.76 2.993124636e+00 1.112411984e+01 1.516394878e+01 1.78 2.183018799e+00 9.705670907e+00 1.347310406e+01 1.80 1.447342174e+00 8.399122099e+00 1.191028839e+01 1.82 8.060016790e-01 7.292945613e+00 1.054372408e+01 1.84 1.996723072e-01 6.177541571e+00 9.203234923e+00 1.86 -3.105186749e-01 5.296694493e+00 7.966105633e+00 1.88 -7.491619521e-01 4.341866776e+00 6.825030213e+00 1.90 -1.181666989e+00 3.465777119e+00 5.850832457e+00 1.92 -1.590199280e+00 2.662705557e+00 4.875145475e+00 1.94 -1.955976552e+00 1.964347844e+00 3.977198597e+00 1.96 -2.282433711e+00 1.288555570e+00 3.151507535e+00 1.98 -2.572743209e+00 6.712680437e-01 2.392975729e+00 2.00 -2.829835549e+00 1.082210206e-01 1.772059849e+00 2.02 -3.056418096e+00 -4.045448779e-01 1.127608878e+00 2.04 -3.254992331e+00 -8.707069163e-01 5.376106087e-01 2.06 -3.374469592e+00 -1.293681164e+00 -1.793305091e-03 2.08 -3.509108054e+00 -1.676641748e+00 -4.941933218e-01 2.10 -3.629281870e+00 -1.957377213e+00 -8.662844937e-01 2.12 -3.733644436e+00 -2.238747801e+00 -1.243832441e+00 2.14 -3.830031092e+00 -2.526217565e+00 -1.622992519e+00 2.16 -3.909366694e+00 -2.783670425e+00 -1.966506516e+00 2.18 -3.973133817e+00 -3.013359504e+00 -2.276943293e+00 2.20 -4.022702036e+00 -3.217379808e+00 -2.556695616e+00 2.22 -4.059336386e+00 -3.397679468e+00 -2.807992520e+00 2.24 -4.047187179e+00 -3.482034179e+00 -3.014401754e+00 2.26 -4.064180842e+00 -3.625824088e+00 -3.216282184e+00 2.28 -4.071270667e+00 -3.750530894e+00 -3.395415655e+00 2.30 -4.069391830e+00 -3.857643864e+00 -3.553490514e+00 2.32 -4.024018272e+00 -3.948547852e+00 -3.692080141e+00 2.34 -3.949964215e+00 -4.024530574e+00 -3.812650805e+00 2.36 -3.932801418e+00 -4.086789346e+00 -3.916568974e+00 2.38 -3.909252985e+00 -4.136437335e+00 -4.005108080e+00 2.40 -3.879977560e+00 -4.174509373e+00 -3.934354217e+00 2.42 -3.845582044e+00 -4.201967348e+00 -4.005952426e+00 2.44 -3.806625394e+00 -4.141935319e+00 -4.064760186e+00 2.46 -3.763622153e+00 -4.156194558e+00 -4.111789343e+00 2.48 -3.717045709e+00 -4.161960893e+00 -4.147982460e+00 2.50 -3.667331324e+00 -4.159976992e+00 -4.174217444e+00 2.52 -3.614878940e+00 -4.077573066e+00 -4.191311860e+00 2.54 -3.560055781e+00 -4.067088774e+00 -4.200026949e+00 2.56 -3.503198768e+00 -4.050441797e+00 -4.201071373e+00 2.58 -3.444616756e+00 -4.028206398e+00 -4.169868787e+00 2.60 -3.384592612e+00 -4.000915394e+00 -4.159173301e+00 2.62 -3.323385141e+00 -3.969062971e+00 -4.142541437e+00 2.64 -3.261230876e+00 -3.933107297e+00 -4.120511377e+00 2.66 -3.198345733e+00 -3.893472966e+00 -4.093583514e+00 2.68 -3.134926557e+00 -3.850553277e+00 -4.062222951e+00 2.70 -3.052915242e+00 -3.804712352e+00 -4.026861832e+00 2.72 -2.990111659e+00 -3.756287121e+00 -3.987901518e+00 2.74 -2.927190057e+00 -3.686874425e+00 -3.945714620e+00 2.76 -2.825963908e+00 -3.635360613e+00 -3.900646898e+00 2.78 -2.765572815e+00 -3.582055213e+00 -3.853019037e+00 2.80 -2.705295343e+00 -3.527208163e+00 -3.803128302e+00 2.82 -2.626317736e+00 -3.471050017e+00 -3.674092262e+00 2.84 -2.567740626e+00 -3.413793265e+00 -3.625152875e+00 2.86 -2.509507761e+00 -3.355633575e+00 -3.574435034e+00 2.88 -2.451703845e+00 -3.296750941e+00 -3.522173747e+00 2.90 -2.394404741e+00 -3.237310766e+00 -3.468586410e+00 2.92 -2.337678159e+00 -3.177464866e+00 -3.413873967e+00 2.94 -2.281584286e+00 -3.117352410e+00 -3.358222001e+00 2.96 -2.226176377e+00 -3.057100799e+00 -3.301801757e+00 2.98 -2.171501300e+00 -2.996826485e+00 -3.244771093e+00 3.00 -2.117600048e+00 -2.936635737e+00 -3.187275378e+00 3.02 -2.064508203e+00 -2.876625355e+00 -3.129448320e+00 3.04 -2.012256383e+00 -2.816883336e+00 -3.071412759e+00 3.06 -1.960870641e+00 -2.757489504e+00 -3.013281391e+00 3.08 -1.910372846e+00 -2.698516083e+00 -2.955157459e+00 3.10 -1.860781033e+00 -2.640028249e+00 -2.897135390e+00 3.12 -1.812109724e+00 -2.582084631e+00 -2.839301402e+00 3.14 -1.764370233e+00 -2.524737789e+00 -2.781734059e+00 3.16 -1.698652365e+00 -2.442823441e+00 -2.686667649e+00 3.18 -1.653826642e+00 -2.388175486e+00 -2.631896602e+00 3.20 -1.609894469e+00 -2.334175673e+00 -2.577475811e+00 3.22 -1.566859905e+00 -2.280860412e+00 -2.523464159e+00 3.24 -1.524724846e+00 -2.228261765e+00 -2.469914877e+00 3.26 -1.483489222e+00 -2.176407777e+00 -2.416875934e+00 3.28 -1.443151180e+00 -2.125322771e+00 -2.364390411e+00 3.30 -1.403707254e+00 -1.999290300e+00 -2.312496840e+00 3.32 -1.365152526e+00 -1.953747069e+00 -2.261229532e+00 3.34 -1.327480766e+00 -1.908821486e+00 -2.210618878e+00 3.36 -1.290684568e+00 -1.864536201e+00 -2.160691632e+00 3.38 -1.217834697e+00 -1.820910846e+00 -2.111471174e+00 3.40 -1.184652839e+00 -1.777962256e+00 -2.062977761e+00 3.42 -1.152222094e+00 -1.735704688e+00 -2.015228758e+00 3.44 -1.120536392e+00 -1.694150012e+00 -1.968238853e+00 3.46 -1.089588777e+00 -1.653307899e+00 -1.922020261e+00 3.48 -1.059371499e+00 -1.613185993e+00 -1.876582914e+00 3.50 -1.010330736e+00 -1.573790072e+00 -1.831934636e+00 3.52 -9.825031165e-01 -1.535124196e+00 -1.788081312e+00 3.54 -9.553321867e-01 -1.497190852e+00 -1.745027037e+00 3.56 -9.288100903e-01 -1.459991081e+00 -1.702774267e+00 3.58 -9.029284479e-01 -1.423524601e+00 -1.661323948e+00 3.60 -8.776784201e-01 -1.387789921e+00 -1.620675647e+00 3.62 -8.530507664e-01 -1.352784448e+00 -1.580827665e+00 3.64 -8.222176478e-01 -1.318504585e+00 -1.464506462e+00 3.66 -7.991227582e-01 -1.284945822e+00 -1.429898433e+00 3.68 -7.766059407e-01 -1.252102825e+00 -1.395907381e+00 3.70 -7.546575246e-01 -1.219969511e+00 -1.362535599e+00 3.72 -7.332676381e-01 -1.188539125e+00 -1.329784223e+00 3.74 -7.124262446e-01 -1.157804311e+00 -1.297653328e+00 3.76 -6.921231770e-01 -1.127757172e+00 -1.266142013e+00 3.78 -6.723481686e-01 -1.098389329e+00 -1.235248483e+00 3.80 -6.530908814e-01 -1.069691982e+00 -1.204970128e+00 3.82 -6.343409324e-01 -1.041655955e+00 -1.175303588e+00 3.84 -6.160879172e-01 -1.014271746e+00 -1.146244828e+00 3.86 -5.983214312e-01 -9.488027974e-01 -1.117789194e+00 3.88 -5.810310901e-01 -9.244188205e-01 -1.089931473e+00 3.90 -5.642065469e-01 -9.005799424e-01 -1.062665947e+00 3.92 -5.478375089e-01 -8.772791460e-01 -1.035986445e+00 3.94 -5.319137514e-01 -8.545091301e-01 -1.009886387e+00 3.96 -5.164251318e-01 -8.322623438e-01 -9.843588325e-01 3.98 -5.013616006e-01 -8.105310207e-01 -9.593965147e-01 4.00 -4.867132123e-01 -7.893072089e-01 -9.349918841e-01 4.02 -4.724701352e-01 -7.685827996e-01 -9.111371411e-01 4.04 -4.586226590e-01 -7.483495535e-01 -8.878242693e-01 4.06 -4.451612028e-01 -7.285991250e-01 -8.650450657e-01 4.08 -4.320763210e-01 -7.093230846e-01 -8.427911692e-01 4.10 -4.193587097e-01 -6.905129396e-01 -8.210540863e-01 4.12 -4.069992106e-01 -6.721601534e-01 -7.998252153e-01 4.14 -3.949888159e-01 -6.542561626e-01 -7.790958688e-01 4.16 -3.833186713e-01 -6.367923934e-01 -7.588572944e-01 4.18 -3.719800791e-01 -6.197602763e-01 -7.391006933e-01 4.20 -3.609645005e-01 -6.031512598e-01 -7.198172382e-01 4.22 -3.502635573e-01 -5.869568223e-01 -7.009980896e-01 4.24 -3.398690333e-01 -5.711684841e-01 -6.826344099e-01 4.26 -3.297728751e-01 -5.557778170e-01 -6.647173779e-01 4.28 -3.199671929e-01 -5.407764539e-01 -6.472382006e-01 4.30 -3.104442603e-01 -5.261560974e-01 -6.301881248e-01 4.32 -3.011965145e-01 -5.119085272e-01 -6.135584478e-01 4.34 -2.922165556e-01 -4.980256071e-01 -5.973405262e-01 4.36 -2.834971458e-01 -4.844992909e-01 -5.815257851e-01 4.38 -2.750312088e-01 -4.713216284e-01 -5.661057257e-01 4.40 -2.668118282e-01 -4.584847697e-01 -5.510719321e-01 4.42 -2.588322465e-01 -4.459809699e-01 -5.364160777e-01 4.44 -2.510858632e-01 -4.338025929e-01 -5.221299312e-01 4.46 -2.435662333e-01 -4.219421142e-01 -4.889508459e-01 4.48 -2.362670656e-01 -4.103921243e-01 -4.761253493e-01 4.50 -2.291822202e-01 -3.991453308e-01 -4.636167169e-01 4.52 -2.223057069e-01 -3.881945605e-01 -4.514182445e-01 4.54 -2.156316830e-01 -3.775327610e-01 -4.395233009e-01 4.56 -2.091544507e-01 -3.671530020e-01 -4.279253328e-01 4.58 -2.028684551e-01 -3.570484765e-01 -4.166178674e-01 4.60 -1.967682816e-01 -3.472125013e-01 -4.055945162e-01 4.62 -1.908486537e-01 -3.376385175e-01 -3.948489779e-01 4.64 -1.851044302e-01 -3.283200908e-01 -3.843750406e-01 4.66 -1.795306030e-01 -3.192509116e-01 -3.741665841e-01 4.68 -1.741222944e-01 -3.104247944e-01 -3.642175815e-01 4.70 -1.688747545e-01 -3.018356780e-01 -3.545221013e-01 4.72 -1.637833586e-01 -2.934776244e-01 -3.450743080e-01 4.74 -1.588436051e-01 -2.853448183e-01 -3.358684635e-01 4.76 -1.540511123e-01 -2.774315666e-01 -3.268989281e-01 4.78 -1.494016160e-01 -2.697322968e-01 -3.181601604e-01 4.80 -1.448909672e-01 -2.622415564e-01 -3.096467184e-01 4.82 -1.405151295e-01 -2.549540113e-01 -3.013532593e-01 4.84 -1.362701761e-01 -2.478644449e-01 -2.932745398e-01 4.86 -1.321522881e-01 -2.409677567e-01 -2.854054158e-01 4.88 -1.281577513e-01 -2.342589604e-01 -2.777408420e-01 4.90 -1.242829540e-01 -2.277331832e-01 -2.702758720e-01 4.92 -1.205243848e-01 -2.213856633e-01 -2.630056575e-01 4.94 -1.168786298e-01 -2.152117490e-01 -2.559254475e-01 4.96 -1.133423705e-01 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