# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Groger-R-Vitek-V-Dlouhy-A--Co-Cr-Fe-Mn-Ni # implementation = 2020--Groger-R--Co-Cr-Fe-Mn-Ni--LAMMPS--ipr1 # composition = Cr3Ni # 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 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 nan nan nan 0.98 nan nan nan 1.00 3.576634399e+04 nan nan 1.02 2.815254629e+04 nan nan 1.04 2.225798354e+04 nan nan 1.06 1.767241479e+04 nan nan 1.08 1.408862649e+04 nan nan 1.10 1.127530553e+04 2.844453092e+04 nan 1.12 9.057372726e+03 2.287138888e+04 3.050697052e+04 1.14 7.301642919e+03 1.845746440e+04 2.462521411e+04 1.16 5.906308447e+03 1.494767154e+04 1.994769052e+04 1.18 4.793181655e+03 1.214607240e+04 1.621349016e+04 1.20 3.901943882e+03 9.901480120e+03 1.322128596e+04 1.22 3.185857829e+03 8.096728591e+03 1.081504602e+04 1.24 2.608557886e+03 6.640632812e+03 8.873331686e+03 1.26 2.141632809e+03 5.461938387e+03 7.301242669e+03 1.28 1.762799447e+03 4.504745168e+03 6.024324411e+03 1.30 1.454513777e+03 3.725029810e+03 4.983938846e+03 1.32 1.202912873e+03 3.087995228e+03 4.133733195e+03 1.34 9.970037661e+02 2.566038852e+03 3.436935434e+03 1.36 8.280388850e+02 2.137188305e+03 2.864271947e+03 1.38 6.890343782e+02 1.783894760e+03 2.392360884e+03 1.40 5.743960765e+02 1.492097207e+03 2.002465574e+03 1.42 4.796294362e+02 1.250493168e+03 1.679523866e+03 1.44 4.011130312e+02 1.049969538e+03 1.411390776e+03 1.46 3.359199406e+02 8.831573229e+02 1.188244858e+03 1.48 2.816776652e+02 7.440809183e+02 1.002120391e+03 1.50 2.364580965e+02 6.278814589e+02 8.465388016e+02 1.52 1.986899055e+02 5.305969660e+02 7.162169119e+02 1.54 1.670889925e+02 4.489883340e+02 6.068348359e+02 1.56 1.406035745e+02 3.804005865e+02 5.148507079e+02 1.58 1.183703284e+02 3.226520318e+02 4.373538227e+02 1.60 9.967896142e+01 2.739459644e+02 3.719462848e+02 1.62 8.394343106e+01 2.327990331e+02 3.166481243e+02 1.64 7.067903551e+01 1.979832693e+02 2.698202787e+02 1.66 5.948428178e+01 1.684801747e+02 2.301031942e+02 1.68 5.002598092e+01 1.434432733e+02 1.963668093e+02 1.70 4.202706060e+01 1.221676179e+02 1.676698338e+02 1.72 3.525641596e+01 1.040650540e+02 1.432267122e+02 1.74 2.952097923e+01 8.864400746e+01 1.223802203e+02 1.76 2.465930730e+01 7.549272225e+01 1.045796038e+02 1.78 2.053619705e+01 6.426545716e+01 8.936257685e+01 1.80 1.703828410e+01 5.467151501e+01 7.634046088e+01 1.82 1.407033012e+01 4.646615832e+01 6.518597153e+01 1.84 1.155198872e+01 3.944288874e+01 5.562313544e+01 1.86 9.415397391e+00 3.342725263e+01 4.741852227e+01 1.88 7.603224865e+00 2.827172270e+01 4.037415610e+01 1.90 6.067022254e+00 2.385139642e+01 3.432216594e+01 1.92 4.765839301e+00 2.006041561e+01 2.912002441e+01 1.94 3.664998266e+00 1.680878904e+01 2.464641024e+01 1.96 2.735123610e+00 1.401974237e+01 2.079794358e+01 1.98 1.951235736e+00 1.162759768e+01 1.748658093e+01 2.00 1.291980496e+00 9.576272029e+00 1.463723179e+01 2.02 7.390764736e-01 7.817865420e+00 1.218562568e+01 2.04 2.768976995e-01 6.311432711e+00 1.007664562e+01 2.06 -1.079008711e-01 5.021837177e+00 8.263053886e+00 2.08 -4.267171790e-01 3.918956842e+00 6.704340480e+00 2.10 -6.892832837e-01 2.976948006e+00 5.365738760e+00 2.12 -9.039016247e-01 2.173599924e+00 4.217283666e+00 2.14 -1.077643593e+00 1.489814491e+00 3.233134149e+00 2.16 -1.216537713e+00 9.091667126e-01 2.391041341e+00 2.18 -1.325803975e+00 4.175327858e-01 1.671842867e+00 2.20 -1.409944505e+00 2.775178960e-03 1.059037725e+00 2.22 -1.472829617e+00 -3.455660242e-01 5.383783780e-01 2.24 -1.517796336e+00 -6.366427435e-01 9.740250785e-02 2.26 -1.547707367e+00 -8.783926400e-01 -2.747243040e-01 2.28 -1.564993011e+00 -1.077670134e+00 -5.873926550e-01 2.30 -1.571711450e+00 -1.240395751e+00 -8.487424464e-01 2.32 -1.569603894e+00 -1.371677220e+00 -1.065822615e+00 2.34 -1.560126059e+00 -1.475913209e+00 -1.244706533e+00 2.36 -1.544515287e+00 -1.556938807e+00 -1.390653328e+00 2.38 -1.523845687e+00 -1.618150458e+00 -1.508237610e+00 2.40 -1.499016088e+00 -1.662501550e+00 -1.601420040e+00 2.42 -1.470767213e+00 -1.692551349e+00 -1.673620799e+00 2.44 -1.439732577e+00 -1.710513086e+00 -1.727783953e+00 2.46 -1.406462106e+00 -1.718295058e+00 -1.766432431e+00 2.48 -1.371448758e+00 -1.717535718e+00 -1.791714945e+00 2.50 -1.335155979e+00 -1.709633609e+00 -1.805446813e+00 2.52 -1.297985829e+00 -1.695772853e+00 -1.809228982e+00 2.54 -1.260284718e+00 -1.676944832e+00 -1.804571939e+00 2.56 -1.222350552e+00 -1.653966698e+00 -1.792806269e+00 2.58 -1.184438771e+00 -1.627530110e+00 -1.775091489e+00 2.60 -1.146764592e+00 -1.598263103e+00 -1.752431090e+00 2.62 -1.109505358e+00 -1.566685363e+00 -1.725686517e+00 2.64 -1.072809915e+00 -1.533228999e+00 -1.695604162e+00 2.66 -1.036802256e+00 -1.498313193e+00 -1.662829916e+00 2.68 -1.001583932e+00 -1.462319265e+00 -1.627920453e+00 2.70 -9.672360077e-01 -1.425573825e+00 -1.591353019e+00 2.72 -9.338206401e-01 -1.388340482e+00 -1.553545029e+00 2.74 -9.013823097e-01 -1.350829960e+00 -1.514873188e+00 2.76 -8.699486398e-01 -1.313221142e+00 -1.475664224e+00 2.78 -8.395252255e-01 -1.275665706e+00 -1.436198376e+00 2.80 -8.100948080e-01 -1.238291543e+00 -1.396714049e+00 2.82 -7.816266850e-01 -1.201205658e+00 -1.357411766e+00 2.84 -7.540851864e-01 -1.164496617e+00 -1.318457505e+00 2.86 -7.274373218e-01 -1.128236598e+00 -1.279985509e+00 2.88 -7.016404277e-01 -1.092487887e+00 -1.242100623e+00 2.90 -6.766449005e-01 -1.057314862e+00 -1.204880222e+00 2.92 -6.524208918e-01 -1.022775776e+00 -1.168375792e+00 2.94 -6.289430993e-01 -9.889215514e-01 -1.132614185e+00 2.96 -6.061843135e-01 -9.557967060e-01 -1.097599536e+00 2.98 -5.841236592e-01 -9.234401054e-01 -1.063346525e+00 3.00 -5.627495700e-01 -8.918855588e-01 -1.029887097e+00 3.02 -5.420508769e-01 -8.611622803e-01 -9.972347600e-01 3.04 -5.220172360e-01 -8.312952316e-01 -9.653973872e-01 3.06 -5.026391085e-01 -8.023053607e-01 -9.343791193e-01 3.08 -4.839076102e-01 -7.742097495e-01 -9.041808521e-01 3.10 -4.658143329e-01 -7.470216812e-01 -8.748006123e-01 3.12 -4.483511427e-01 -7.207506380e-01 -8.462338364e-01 3.14 -4.315099565e-01 -6.954022369e-01 -8.184735633e-01 3.16 -4.152825012e-01 -6.709780576e-01 -7.915105515e-01 3.18 -3.996600572e-01 -6.474719163e-01 -7.653333299e-01 3.20 -3.846331875e-01 -6.248681069e-01 -7.399281903e-01 3.22 -3.701914562e-01 -6.031471656e-01 -7.152791281e-01 3.24 -3.563231357e-01 -5.822861138e-01 -6.913677378e-01 3.26 -3.430149055e-01 -5.622580870e-01 -6.681730685e-01 3.28 -3.302515439e-01 -5.430319384e-01 -6.456714447e-01 3.30 -3.180156118e-01 -5.245718209e-01 -6.238362559e-01 3.32 -3.062894168e-01 -5.068397931e-01 -6.026422873e-01 3.34 -2.950622055e-01 -4.898053856e-01 -5.820804961e-01 3.36 -2.843241928e-01 -4.734376131e-01 -5.621464465e-01 3.38 -2.740642110e-01 -4.577018023e-01 -5.428359751e-01 3.40 -2.642694796e-01 -4.425592395e-01 -5.241450850e-01 3.42 -2.549253720e-01 -4.279668074e-01 -5.060698267e-01 3.44 -2.460151807e-01 -4.138766126e-01 -4.886061660e-01 3.46 -2.375198801e-01 -4.002379135e-01 -4.717498411e-01 3.48 -2.294178882e-01 -3.870228668e-01 -4.554962091e-01 3.50 -2.216848269e-01 -3.742208655e-01 -4.398400855e-01 3.52 -2.142932811e-01 -3.618223247e-01 -4.247755747e-01 3.54 -2.072134032e-01 -3.498183294e-01 -4.102958950e-01 3.56 -2.004246441e-01 -3.382005705e-01 -3.963931972e-01 3.58 -1.939144402e-01 -3.269612772e-01 -3.830583788e-01 3.60 -1.876697234e-01 -3.160931472e-01 -3.702808936e-01 3.62 -1.816766131e-01 -3.055892733e-01 -3.580485572e-01 3.64 -1.759203292e-01 -2.954430689e-01 -3.463473498e-01 3.66 -1.703851041e-01 -2.856481911e-01 -3.351607808e-01 3.68 -1.650554814e-01 -2.761984622e-01 -3.244680290e-01 3.70 -1.599217023e-01 -2.670877904e-01 -3.142454933e-01 3.72 -1.549758228e-01 -2.583100884e-01 -3.044673168e-01 3.74 -1.502099252e-01 -2.498591923e-01 -2.951051623e-01 3.76 -1.456160918e-01 -2.417287786e-01 -2.861279868e-01 3.78 -1.411863795e-01 -2.339122814e-01 -2.775018134e-01 3.80 -1.369127948e-01 -2.264028082e-01 -2.691895038e-01 3.82 -1.327873159e-01 -2.191930566e-01 -2.611511486e-01 3.84 -1.288031135e-01 -2.122752292e-01 -2.533599425e-01 3.86 -1.249548197e-01 -2.056409491e-01 -2.458057532e-01 3.88 -1.212373395e-01 -1.992811754e-01 -2.384798346e-01 3.90 -1.176457795e-01 -1.931861180e-01 -2.313739848e-01 3.92 -1.141754403e-01 -1.873451528e-01 -2.244805221e-01 3.94 -1.108218084e-01 -1.817467364e-01 -2.177922588e-01 3.96 -1.075805492e-01 -1.763783216e-01 -2.113024769e-01 3.98 -1.044474998e-01 -1.712262720e-01 -2.050049018e-01 4.00 -1.014186619e-01 -1.662757776e-01 -1.988936772e-01 4.02 -9.849019549e-02 -1.615107700e-01 -1.929633393e-01 4.04 -9.565841211e-02 -1.569138376e-01 -1.872087912e-01 4.06 -9.291976903e-02 -1.524680422e-01 -1.816252777e-01 4.08 -9.027086316e-02 -1.481652118e-01 -1.762083592e-01 4.10 -8.770842543e-02 -1.440003097e-01 -1.709538865e-01 4.12 -8.522931528e-02 -1.399684864e-01 -1.658579755e-01 4.14 -8.283051543e-02 -1.360650719e-01 -1.609169819e-01 4.16 -8.050912686e-02 -1.322855686e-01 -1.561274760e-01 4.18 -7.826236393e-02 -1.286256456e-01 -1.514862176e-01 4.20 -7.608754977e-02 -1.250811325e-01 -1.469901316e-01 4.22 -7.398195228e-02 -1.216480130e-01 -1.426362826e-01 4.24 -7.194161487e-02 -1.183224199e-01 -1.384218508e-01 4.26 -6.996217125e-02 -1.151006288e-01 -1.343441074e-01 4.28 -6.803957246e-02 -1.119790533e-01 -1.304003903e-01 4.30 -6.617008085e-02 -1.089542398e-01 -1.265880802e-01 4.32 -6.435025830e-02 -1.060228620e-01 -1.229045765e-01 4.34 -6.257695450e-02 -1.031817165e-01 -1.193472734e-01 4.36 -6.084729540e-02 -1.004277182e-01 -1.159135365e-01 4.38 -5.915867161e-02 -9.775789536e-02 -1.126006791e-01 4.40 -5.750872705e-02 -9.516938579e-02 -1.094059391e-01 4.42 -5.589534756e-02 -9.265943230e-02 -1.063264556e-01 4.44 -5.431664966e-02 -9.022537888e-02 -1.033592461e-01 4.46 -5.277096932e-02 -8.786466674e-02 -1.005011834e-01 4.48 -5.125685089e-02 -8.557452701e-02 -9.774897297e-02 4.50 -4.977303603e-02 -8.335112233e-02 -9.509913044e-02 4.52 -4.831845274e-02 -8.119056287e-02 -9.254795895e-02 4.54 -4.689220445e-02 -7.908921939e-02 -9.009152695e-02 4.56 -4.549355915e-02 -7.704371421e-02 -8.772564595e-02 4.58 -4.412193865e-02 -7.505091213e-02 -8.544584845e-02 4.60 -4.277690781e-02 -7.310791155e-02 -8.324736599e-02 4.62 -4.145807635e-02 -7.121203558e-02 -8.112510731e-02 4.64 -4.016425481e-02 -6.936082332e-02 -7.907363658e-02 4.66 -3.889390850e-02 -6.755202109e-02 -7.708715188e-02 4.68 -3.764574858e-02 -6.578357385e-02 -7.515968594e-02 4.70 -3.641872545e-02 -6.405361661e-02 -7.328765511e-02 4.72 -3.521201342e-02 -6.236046593e-02 -7.146924463e-02 4.74 -3.402499537e-02 -6.070261151e-02 -6.970273419e-02 4.76 -3.285724741e-02 -5.907870779e-02 -6.798646378e-02 4.78 -3.170852358e-02 -5.748756568e-02 -6.631883146e-02 4.80 -3.057874055e-02 -5.592814425e-02 -6.469829123e-02 4.82 -2.946796236e-02 -5.439954255e-02 -6.312335088e-02 4.84 -2.837638506e-02 -5.290099150e-02 -6.159257005e-02 4.86 -2.730432155e-02 -5.143184575e-02 -6.010455828e-02 4.88 -2.625218623e-02 -4.999157563e-02 -5.865797314e-02 4.90 -2.522047979e-02 -4.857975920e-02 -5.725151849e-02 4.92 -2.420977396e-02 -4.719607424e-02 -5.588394276e-02 4.94 -2.322069628e-02 -4.584029039e-02 -5.455403728e-02 4.96 -2.225391485e-02 -4.451226123e-02 -5.326063473e-02 4.98 -2.131012315e-02 -4.321191652e-02 -5.200260758e-02 5.00 -2.039002481e-02 -4.193925433e-02 -5.077886667e-02 5.02 -1.949431840e-02 -4.069433339e-02 -4.958835979e-02 5.04 -1.862368221e-02 -3.947726528e-02 -4.843007032e-02 5.06 -1.777875914e-02 -3.828820680e-02 -4.730301593e-02 5.08 -1.696014143e-02 -3.712735233e-02 -4.620624733e-02 5.10 -1.616835551e-02 -3.599492620e-02 -4.513884710e-02 5.12 -1.540384685e-02 -3.489117509e-02 -4.409992848e-02 5.14 -1.466696477e-02 -3.381636054e-02 -4.308863429e-02 5.16 -1.395794084e-02 -3.277071783e-02 -4.210408563e-02 5.18 -1.327673592e-02 -3.175373131e-02 -4.114430493e-02 5.20 -1.262304096e-02 -3.076420996e-02 -4.020633957e-02 5.22 -1.199640975e-02 -2.980104955e-02 -3.928741537e-02 5.24 -1.139624959e-02 -2.886325562e-02 -3.838498125e-02 5.26 -1.082180545e-02 -2.794993230e-02 -3.749670267e-02 5.28 -1.027214406e-02 -2.706027101e-02 -3.662045492e-02 5.30 -9.746138078e-03 -2.619353928e-02 -3.575431654e-02 5.32 -9.242450169e-03 -2.534906946e-02 -3.489656263e-02 5.34 -8.759517162e-03 -2.452624750e-02 -3.404565828e-02 5.36 -8.295534159e-03 -2.372450175e-02 -3.320025184e-02 5.38 -7.848438667e-03 -2.294329165e-02 -3.235916839e-02 5.40 -7.415984954e-03 -2.218209656e-02 -3.152140300e-02 5.42 -6.997298219e-03 -2.144040449e-02 -3.068611417e-02 5.44 -6.592812329e-03 -2.071770085e-02 -2.985261716e-02 5.46 -6.202977862e-03 -2.001345725e-02 -2.902037733e-02 5.48 -5.828210734e-03 -1.932712024e-02 -2.818900357e-02 5.50 -5.468885698e-03 -1.865810005e-02 -2.735824158e-02 5.52 -5.125329839e-03 -1.800575941e-02 -2.652796730e-02 5.54 -4.797816064e-03 -1.736940225e-02 -2.569818023e-02 5.56 -4.486556601e-03 -1.674826252e-02 -2.486899681e-02 5.58 -4.191696494e-03 -1.614149289e-02 -2.404064379e-02 5.60 -3.913307096e-03 -1.554815357e-02 -2.321345158e-02 5.62 -3.651379564e-03 -1.496720104e-02 -2.238784761e-02 5.64 -3.405818354e-03 -1.439747682e-02 -2.156434970e-02 5.66 -3.176434719e-03 -1.383769624e-02 -2.074355942e-02 5.68 -2.962940199e-03 -1.328643718e-02 -1.992615545e-02 5.70 -2.764940116e-03 -1.274212887e-02 -1.911288696e-02 5.72 -2.581927075e-03 -1.220304463e-02 -1.830456695e-02 5.74 -2.413274452e-03 -1.166804374e-02 -1.750206561e-02 5.76 -2.258229891e-03 -1.113753581e-02 -1.670630371e-02 5.78 -2.115908802e-03 -1.061216396e-02 -1.591824594e-02 5.80 -1.985287852e-03 -1.009259618e-02 -1.513889427e-02 5.82 -1.865198458e-03 -9.579520897e-03 -1.436928135e-02 5.84 -1.754320290e-03 -9.073642531e-03 -1.361046380e-02 5.86 -1.651174758e-03 -8.575677096e-03 -1.286351564e-02 5.88 -1.554118509e-03 -8.086347765e-03 -1.212952165e-02 5.90 -1.461336924e-03 -7.606380443e-03 -1.140957066e-02 5.92 -1.371063045e-03 -7.136499347e-03 -1.070474902e-02 5.94 -1.282866233e-03 -6.677422575e-03 -1.001613386e-02 5.96 -1.196880890e-03 -6.229857687e-03 -9.344786530e-03 5.98 -1.113240098e-03 -5.794497275e-03 -8.691745913e-03 6.00 -1.032073214e-03 -5.372014543e-03 -8.058021814e-03