# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Co-Al-Mn # implementation = 2025--Sharifi-H--Co-Al-Mn--LAMMPS--ipr1 # composition = Co3Mn # 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 9.949316332e+02 nan nan 0.92 8.928927134e+02 nan nan 0.94 7.974330602e+02 nan nan 0.96 7.094253315e+02 nan nan 0.98 6.292221686e+02 9.038523769e+02 nan 1.00 5.568109019e+02 8.255958129e+02 nan 1.02 4.919307638e+02 7.515494331e+02 9.089582773e+02 1.04 4.341607753e+02 6.822619464e+02 8.290614387e+02 1.06 3.828894486e+02 6.177564340e+02 7.542544164e+02 1.08 3.371134565e+02 5.569361830e+02 6.829082581e+02 1.10 2.964019654e+02 5.001208634e+02 6.155752207e+02 1.12 2.603670371e+02 4.476147725e+02 5.528210720e+02 1.14 2.285950344e+02 3.995157895e+02 4.949237041e+02 1.16 2.006685750e+02 3.557737316e+02 4.419498725e+02 1.18 1.761815881e+02 3.162356048e+02 3.938153554e+02 1.20 1.547491323e+02 2.806802655e+02 3.503315647e+02 1.22 1.360133383e+02 2.488446875e+02 3.112413220e+02 1.24 1.196465185e+02 2.204435849e+02 2.762459826e+02 1.26 1.053522589e+02 1.951838452e+02 2.450257435e+02 1.28 9.286510606e+01 1.727749020e+02 2.172545639e+02 1.30 8.194930895e+01 1.529359658e+02 1.926108745e+02 1.32 7.239696950e+01 1.354008454e+02 1.707850228e+02 1.34 6.402584949e+01 1.199209367e+02 1.514842000e+02 1.36 5.667702377e+01 1.062668421e+02 1.344354605e+02 1.38 5.021250620e+01 9.422897443e+01 1.193873030e+02 1.40 4.451294024e+01 8.361743453e+01 1.061101966e+02 1.42 3.947541110e+01 7.426137807e+01 9.439634652e+01 1.44 3.501141501e+01 6.600803824e+01 8.405892330e+01 1.46 3.104500487e+01 5.872153747e+01 7.493093301e+01 1.48 2.751111753e+01 5.228158031e+01 6.686385996e+01 1.50 2.435408301e+01 4.658209952e+01 5.972621160e+01 1.52 2.152630656e+01 4.152990971e+01 5.340202765e+01 1.54 1.898711261e+01 3.704340040e+01 4.778939727e+01 1.56 1.670173757e+01 3.305129562e+01 4.279902635e+01 1.58 1.464045804e+01 2.949149578e+01 3.835288100e+01 1.60 1.277783890e+01 2.631000804e+01 3.438291956e+01 1.62 1.109208773e+01 2.345997082e+01 3.082992613e+01 1.64 9.564506388e+00 2.090077124e+01 2.764244674e+01 1.66 8.179020185e+00 1.859725229e+01 2.477582727e+01 1.68 6.921699081e+00 1.651900664e+01 2.219135179e+01 1.70 5.780281590e+00 1.463974981e+01 1.985547431e+01 1.72 4.743910285e+00 1.293676615e+01 1.773913839e+01 1.74 3.802942854e+00 1.139042435e+01 1.581717824e+01 1.76 2.948766706e+00 9.983753307e+00 1.406779289e+01 1.78 2.173620576e+00 8.702042601e+00 1.247208725e+01 1.80 1.470494101e+00 7.532468877e+00 1.101367193e+01 1.82 8.330525029e-01 6.463826346e+00 9.678317412e+00 1.84 2.555689875e-01 5.486307665e+00 8.453655697e+00 1.86 -2.671360889e-01 4.591314101e+00 7.328922137e+00 1.88 -7.397499137e-01 3.771292050e+00 6.294733184e+00 1.90 -1.166516290e+00 3.019592653e+00 5.342895702e+00 1.92 -1.551279731e+00 2.330351285e+00 4.466243398e+00 1.94 -1.897525056e+00 1.698384162e+00 3.658496663e+00 1.96 -2.208412921e+00 1.119091214e+00 2.914131444e+00 1.98 -2.486811762e+00 5.883558500e-01 2.228244701e+00 2.00 -2.735326487e+00 1.024811821e-01 1.596468373e+00 2.02 -2.956324264e+00 -3.418553642e-01 1.014908011e+00 2.04 -3.151960345e+00 -7.476493138e-01 4.800780817e-01 2.06 -3.324214620e+00 -1.117649334e+00 -1.121254837e-02 2.08 -3.474915074e+00 -1.454409607e+00 -4.619338009e-01 2.10 -3.605753662e+00 -1.760305555e+00 -8.748530725e-01 2.12 -3.718297992e+00 -2.037545407e+00 -1.252549895e+00 2.14 -3.814000744e+00 -2.288182429e+00 -1.597429436e+00 2.16 -3.894208326e+00 -2.514127452e+00 -1.911734953e+00 2.18 -3.960149554e+00 -2.717158871e+00 -2.197559321e+00 2.20 -4.012905477e+00 -2.898930700e+00 -2.456855648e+00 2.22 -4.053477662e+00 -3.060982324e+00 -2.691447103e+00 2.24 -4.082806696e+00 -3.204747376e+00 -2.903036006e+00 2.26 -4.101775511e+00 -3.331561109e+00 -3.093212225e+00 2.28 -4.111212550e+00 -3.442667237e+00 -3.263460951e+00 2.30 -4.111894758e+00 -3.539224289e+00 -3.415169903e+00 2.32 -4.104550434e+00 -3.622311495e+00 -3.549635986e+00 2.34 -4.089861924e+00 -3.692934262e+00 -3.668071474e+00 2.36 -4.068468186e+00 -3.752029258e+00 -3.771609734e+00 2.38 -4.040967212e+00 -3.800469128e+00 -3.861310532e+00 2.40 -4.007918333e+00 -3.839066888e+00 -3.938164962e+00 2.42 -3.969844403e+00 -3.868579694e+00 -4.003099621e+00 2.44 -3.927233862e+00 -3.889694187e+00 -4.056956603e+00 2.46 -3.880542699e+00 -3.903023699e+00 -4.100489152e+00 2.48 -3.830196310e+00 -3.909142916e+00 -4.134406560e+00 2.50 -3.776591258e+00 -3.908592772e+00 -4.159380006e+00 2.52 -3.720096787e+00 -3.901881837e+00 -4.176043751e+00 2.54 -3.661056020e+00 -3.889486989e+00 -4.184995307e+00 2.56 -3.599787983e+00 -3.871856452e+00 -4.186799214e+00 2.58 -3.536589170e+00 -3.849411719e+00 -4.181989198e+00 2.60 -3.471734861e+00 -3.822548960e+00 -4.171069596e+00 2.62 -3.405480376e+00 -3.791640362e+00 -4.154516731e+00 2.64 -3.338062264e+00 -3.757035402e+00 -4.132780230e+00 2.66 -3.269699423e+00 -3.719062060e+00 -4.106284283e+00 2.68 -3.200594172e+00 -3.678027969e+00 -4.075428859e+00 2.70 -3.130933257e+00 -3.634221506e+00 -4.040590861e+00 2.72 -3.060888808e+00 -3.587912831e+00 -4.002125242e+00 2.74 -2.990619252e+00 -3.539354873e+00 -3.960366065e+00 2.76 -2.920270161e+00 -3.488784260e+00 -3.915627529e+00 2.78 -2.849975074e+00 -3.436422210e+00 -3.868204942e+00 2.80 -2.779856255e+00 -3.382475373e+00 -3.818375658e+00 2.82 -2.710025419e+00 -3.327136624e+00 -3.766399968e+00 2.84 -2.640584412e+00 -3.270585830e+00 -3.712521963e+00 2.86 -2.571625852e+00 -3.212990564e+00 -3.656970349e+00 2.88 -2.503233734e+00 -3.154506792e+00 -3.599959232e+00 2.90 -2.435483995e+00 -3.095279525e+00 -3.541688869e+00 2.92 -2.368445054e+00 -3.035443434e+00 -3.482346386e+00 2.94 -2.302178313e+00 -2.975123445e+00 -3.422106462e+00 2.96 -2.236738642e+00 -2.914435293e+00 -3.361131986e+00 2.98 -2.172174825e+00 -2.853486058e+00 -3.299574686e+00 3.00 -2.108529994e+00 -2.792374677e+00 -3.237575724e+00 3.02 -2.045842032e+00 -2.731192422e+00 -3.175266270e+00 3.04 -1.984143964e+00 -2.670023365e+00 -3.112768047e+00 3.06 -1.923464318e+00 -2.608944817e+00 -3.050193853e+00 3.08 -1.863827475e+00 -2.548027749e+00 -2.987648054e+00 3.10 -1.805253992e+00 -2.487337188e+00 -2.925227060e+00 3.12 -1.747760917e+00 -2.426932600e+00 -2.863019767e+00 3.14 -1.691362076e+00 -2.366868256e+00 -2.801107991e+00 3.16 -1.636068345e+00 -2.307193579e+00 -2.739566867e+00 3.18 -1.581887910e+00 -2.247953476e+00 -2.678465233e+00 3.20 -1.528826507e+00 -2.189188661e+00 -2.617865997e+00 3.22 -1.476887645e+00 -2.130935963e+00 -2.557826479e+00 3.24 -1.426072816e+00 -2.073228621e+00 -2.498398739e+00 3.26 -1.376381695e+00 -2.016096575e+00 -2.439629890e+00 3.28 -1.327812317e+00 -1.959566749e+00 -2.381562391e+00 3.30 -1.280361251e+00 -1.903663323e+00 -2.324234327e+00 3.32 -1.234023757e+00 -1.848408000e+00 -2.267679679e+00 3.34 -1.188793933e+00 -1.793820276e+00 -2.211928579e+00 3.36 -1.144664846e+00 -1.739917697e+00 -2.157007548e+00 3.38 -1.101628661e+00 -1.686716113e+00 -2.102939732e+00 3.40 -1.059676752e+00 -1.634229938e+00 -2.049745122e+00 3.42 -1.018799808e+00 -1.582472393e+00 -1.997440759e+00 3.44 -9.789879217e-01 -1.531455751e+00 -1.946040941e+00 3.46 -9.402306819e-01 -1.481191579e+00 -1.895557403e+00 3.48 -9.025172436e-01 -1.431690967e+00 -1.846012300e+00 3.50 -8.658363985e-01 -1.382964754e+00 -1.797708158e+00 3.52 -8.301766347e-01 -1.335023739e+00 -1.751274936e+00 3.54 -7.955261897e-01 -1.287878883e+00 -1.705390235e+00 3.56 -7.618730970e-01 -1.241541493e+00 -1.659386212e+00 3.58 -7.292052261e-01 -1.196023390e+00 -1.614326777e+00 3.60 -6.975103172e-01 -1.151337048e+00 -1.570210426e+00 3.62 -6.667760100e-01 -1.107495717e+00 -1.527034294e+00 3.64 -6.369898676e-01 -1.064513507e+00 -1.484794268e+00 3.66 -6.081393949e-01 -1.022405440e+00 -1.443485100e+00 3.68 -5.802120513e-01 -9.811874661e-01 -1.403100500e+00 3.70 -5.531952590e-01 -9.408764319e-01 -1.363633239e+00 3.72 -5.270764045e-01 -9.014900089e-01 -1.325075237e+00 3.74 -5.018428352e-01 -8.630465689e-01 -1.287417649e+00 3.76 -4.774818497e-01 -8.255650105e-01 -1.250650941e+00 3.78 -4.539806833e-01 -7.890645364e-01 -1.214764972e+00 3.80 -4.313264877e-01 -7.535643805e-01 -1.179749061e+00 3.82 -4.095063073e-01 -7.190834900e-01 -1.145592056e+00 3.84 -3.885070515e-01 -6.856401674e-01 -1.112282394e+00 3.86 -3.683154654e-01 -6.532516785e-01 -1.079808162e+00 3.88 -3.489181004e-01 -6.219338379e-01 -1.048157153e+00 3.90 -3.303012855e-01 -5.917005811e-01 -1.017316915e+00 3.92 -3.124511025e-01 -5.625635378e-01 -9.872747998e-01 3.94 -2.953533646e-01 -5.345316184e-01 -9.580180073e-01 3.96 -2.789936026e-01 -5.076106302e-01 -9.295336268e-01 3.98 -2.633570570e-01 -4.818029358e-01 -9.018086737e-01 4.00 -2.484286793e-01 -4.571071681e-01 -8.748301240e-01 4.02 -2.301907914e-01 -4.335180137e-01 -8.485849446e-01 4.04 -1.740569100e-01 -4.110260742e-01 -8.230601209e-01 4.06 -4.755360913e-01 -3.896178119e-01 -7.982426804e-01 4.08 -4.683066917e-01 -3.692755843e-01 -7.741197134e-01 4.10 -4.529730083e-01 -3.499777672e-01 -7.506783901e-01 4.12 -4.403471858e-01 -3.316989623e-01 -7.279059747e-01 4.14 -4.280882441e-01 -3.144102840e-01 -7.057898359e-01 4.16 -4.161853025e-01 -2.980797152e-01 -6.843174549e-01 4.18 -4.046277505e-01 -2.826725188e-01 -6.634764300e-01 4.20 -3.934052712e-01 -2.681516939e-01 -6.432544791e-01 4.22 -3.825078588e-01 -2.544784592e-01 -6.236394397e-01 4.24 -3.719258298e-01 -2.416127500e-01 -6.046192672e-01 4.26 -3.616498279e-01 -2.295250431e-01 -5.861820319e-01 4.28 -3.516708240e-01 -2.188197615e-01 -5.683159156e-01 4.30 -3.419801110e-01 -2.149617748e-01 -5.510092070e-01 4.32 -3.325692942e-01 -2.262642544e-01 -5.342502996e-01 4.34 -3.234302788e-01 -2.240341499e-01 -5.180276889e-01 4.36 -3.145552549e-01 -2.154658977e-01 -5.023299726e-01 4.38 -3.059366814e-01 -2.072151396e-01 -4.871458533e-01 4.40 -2.973882654e-01 -1.992727649e-01 -4.724641434e-01 4.42 -2.857635370e-01 -1.916297875e-01 -4.582737745e-01 4.44 -2.627695112e-01 -1.842773258e-01 -4.445638094e-01 4.46 -2.229746933e-01 -1.772065927e-01 -4.313234583e-01 4.48 -2.013314695e-01 -1.704088924e-01 -4.185420979e-01 4.50 -1.966439849e-01 -1.638756250e-01 -4.062092941e-01 4.52 -1.920717308e-01 -1.575982939e-01 -3.943148272e-01 4.54 -1.876121162e-01 -1.515685190e-01 -3.828487182e-01 4.56 -1.832625930e-01 -1.457780505e-01 -3.718012578e-01 4.58 -1.790206566e-01 -1.402187850e-01 -3.611630337e-01 4.60 -1.748838470e-01 -1.348827820e-01 -3.509249588e-01 4.62 -1.708497494e-01 -1.297622798e-01 -3.410782970e-01 4.64 -1.669159952e-01 -1.248497101e-01 -3.316146869e-01 4.66 -1.630802621e-01 -1.201377113e-01 -3.225261625e-01 4.68 -1.593402749e-01 -1.156191391e-01 -3.138051699e-01 4.70 -1.556938056e-01 -1.112870751e-01 -3.054445800e-01 4.72 -1.521386730e-01 -1.071348322e-01 -2.974376968e-01 4.74 -1.486727431e-01 -1.031559578e-01 -2.897782601e-01 4.76 -1.452939284e-01 -9.934423434e-02 -2.824604441e-01 4.78 -1.420001871e-01 -9.569367647e-02 -2.754788501e-01 4.80 -1.387895230e-01 -9.219852714e-02 -2.688284944e-01 4.82 -1.356599840e-01 -8.885325107e-02 -2.625047909e-01 4.84 -1.326096616e-01 -8.565252677e-02 -2.565035279e-01 4.86 -1.296366895e-01 -8.259123745e-02 -2.508208398e-01 4.88 -1.267392428e-01 -7.966446096e-02 -2.454531725e-01 4.90 -1.239155366e-01 -7.686745932e-02 -2.403972415e-01 4.92 -1.208816079e-01 -7.405836822e-02 -2.351637977e-01 4.94 -1.140723566e-01 -6.952309455e-02 -2.235635050e-01 4.96 -9.434061619e-02 -5.866372168e-02 -1.889553858e-01 4.98 -5.064531534e-02 -3.390192069e-02 -1.068341940e-01 5.00 -3.207677243e-23 -8.521949662e-23 -8.811085009e-23 5.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 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