# 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 = Al3Co # 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 3.236730756e+02 nan nan 0.92 2.925350206e+02 nan nan 0.94 2.647083275e+02 nan nan 0.96 2.398296913e+02 nan nan 0.98 2.175597969e+02 3.451495612e+02 nan 1.00 1.975783381e+02 3.157370331e+02 nan 1.02 1.796325974e+02 2.891000658e+02 2.969309720e+02 1.04 1.634973213e+02 2.649776713e+02 2.714117252e+02 1.06 1.489706799e+02 2.431254709e+02 2.482841860e+02 1.08 1.358728319e+02 2.233173765e+02 2.273257185e+02 1.10 1.240442288e+02 2.053461949e+02 2.083275818e+02 1.12 1.133437930e+02 1.890234764e+02 1.910962389e+02 1.14 1.036470805e+02 1.741788643e+02 1.754538711e+02 1.16 9.484457165e+01 1.606591172e+02 1.612383226e+02 1.18 8.683993439e+01 1.483269406e+02 1.483026589e+02 1.20 7.954845010e+01 1.370597224e+02 1.365144959e+02 1.22 7.289561493e+01 1.267482378e+02 1.257551422e+02 1.24 6.681587819e+01 1.172953764e+02 1.159186445e+02 1.26 6.125151226e+01 1.086149142e+02 1.069108038e+02 1.28 5.615161025e+01 1.006303526e+02 9.864817514e+01 1.30 5.147119811e+01 9.327386335e+01 9.105707313e+01 1.32 4.717044685e+01 8.648531055e+01 8.407259226e+01 1.34 4.321402153e+01 8.021135887e+01 7.763765552e+01 1.36 3.957050347e+01 7.440466989e+01 7.170209967e+01 1.38 3.621188374e+01 6.902318111e+01 6.622180258e+01 1.40 3.311312660e+01 6.402946736e+01 6.115786430e+01 1.42 3.025179388e+01 5.939017417e+01 5.647584904e+01 1.44 2.760771725e+01 5.507551693e+01 5.214509586e+01 1.46 2.516270018e+01 5.105883446e+01 4.813809927e+01 1.48 2.290030578e+01 4.731620456e+01 4.442998038e+01 1.50 2.080566356e+01 4.382611856e+01 4.099805261e+01 1.52 1.886529236e+01 4.056918896e+01 3.782145577e+01 1.54 1.706694806e+01 3.752789433e+01 3.488088197e+01 1.56 1.539949209e+01 3.468635790e+01 3.215836630e+01 1.58 1.385277776e+01 3.203015565e+01 2.963713513e+01 1.60 1.241755153e+01 2.954614991e+01 2.730150203e+01 1.62 1.108536691e+01 2.722234533e+01 2.513679739e+01 1.64 9.848509087e+00 2.504776414e+01 2.312932339e+01 1.66 8.699928748e+00 2.301233802e+01 2.126632573e+01 1.68 7.633196063e+00 2.110681432e+01 1.953597187e+01 1.70 6.642451138e+00 1.932267461e+01 1.792732934e+01 1.72 5.722335424e+00 1.765206214e+01 1.643034028e+01 1.74 4.867948979e+00 1.608770504e+01 1.503579030e+01 1.76 4.074813606e+00 1.462285171e+01 1.373527095e+01 1.78 3.338833432e+00 1.325127168e+01 1.252113637e+01 1.80 2.656233860e+00 1.196723062e+01 1.138645543e+01 1.82 2.023524041e+00 1.076537537e+01 1.032496054e+01 1.84 1.437564326e+00 9.640700253e+00 9.330995105e+00 1.86 8.955238790e-01 8.588523906e+00 8.399460911e+00 1.88 3.947329482e-01 7.604468209e+00 7.525766638e+00 1.90 -6.733283330e-02 6.684439229e+00 6.705778725e+00 1.92 -4.930591276e-01 5.824609726e+00 5.935775131e+00 1.94 -8.846993734e-01 5.021403010e+00 5.212402497e+00 1.96 -1.244381068e+00 4.271476335e+00 4.532637029e+00 1.98 -1.574111833e+00 3.571699592e+00 3.893748042e+00 2.00 -1.875785281e+00 2.919130308e+00 3.293251656e+00 2.02 -2.151186645e+00 2.310991673e+00 2.728866619e+00 2.04 -2.401997857e+00 1.744671352e+00 2.198500666e+00 2.06 -2.629800264e+00 1.217772354e+00 1.700300817e+00 2.08 -2.836081728e+00 7.280564164e-01 1.232578973e+00 2.10 -3.022243046e+00 2.733990114e-01 7.937528555e-01 2.12 -3.189602426e+00 -1.482147634e-01 3.823366093e-01 2.14 -3.339399768e+00 -5.386940361e-01 -3.067024451e-03 2.16 -3.472800762e+00 -8.998460593e-01 -3.637735274e-01 2.18 -3.590900810e+00 -1.233380114e+00 -7.010225301e-01 2.20 -3.694728775e+00 -1.540911429e+00 -1.015983032e+00 2.22 -3.785250571e+00 -1.823965083e+00 -1.309758125e+00 2.24 -3.863372587e+00 -2.083985761e+00 -1.583388882e+00 2.26 -3.929945514e+00 -2.322362159e+00 -1.837859906e+00 2.28 -3.985769385e+00 -2.540412379e+00 -2.074111490e+00 2.30 -4.031597522e+00 -2.739381329e+00 -2.293044062e+00 2.32 -4.068164706e+00 -2.920444576e+00 -2.495520450e+00 2.34 -4.096200327e+00 -3.084711969e+00 -2.682367581e+00 2.36 -4.116430060e+00 -3.233231100e+00 -2.854378012e+00 2.38 -4.129652317e+00 -3.366990599e+00 -3.012311315e+00 2.40 -4.136613439e+00 -3.486923262e+00 -3.156895348e+00 2.42 -4.137986471e+00 -3.593909037e+00 -3.288827430e+00 2.44 -4.134377909e+00 -3.688777857e+00 -3.408775453e+00 2.46 -4.126333862e+00 -3.772312330e+00 -3.517378911e+00 2.48 -4.114345699e+00 -3.845250291e+00 -3.615249902e+00 2.50 -4.098855170e+00 -3.908301418e+00 -3.702974074e+00 2.52 -4.080259049e+00 -3.962187776e+00 -3.781111538e+00 2.54 -4.058913526e+00 -4.007595258e+00 -3.850197760e+00 2.56 -4.035138008e+00 -4.045161250e+00 -3.910744419e+00 2.58 -4.009218698e+00 -4.075615962e+00 -3.963244351e+00 2.60 -3.981411828e+00 -4.100722143e+00 -4.008199854e+00 2.62 -3.951946604e+00 -4.119210913e+00 -4.046101198e+00 2.64 -3.921027879e+00 -4.131084332e+00 -4.077410620e+00 2.66 -3.888838594e+00 -4.137788757e+00 -4.102563763e+00 2.68 -3.855541983e+00 -4.139751145e+00 -4.121971142e+00 2.70 -3.821283589e+00 -4.137365838e+00 -4.136019531e+00 2.72 -3.786193216e+00 -4.130997030e+00 -4.145073276e+00 2.74 -3.752461650e+00 -4.120981045e+00 -4.149475533e+00 2.76 -3.737416125e+00 -4.107628451e+00 -4.149549439e+00 2.78 -3.719897217e+00 -4.091226024e+00 -4.145599225e+00 2.80 -3.682771523e+00 -4.072038557e+00 -4.137911259e+00 2.82 -3.645237111e+00 -4.050310542e+00 -4.126755046e+00 2.84 -3.607359432e+00 -4.026267721e+00 -4.112426765e+00 2.86 -3.569196802e+00 -4.000118531e+00 -4.097636043e+00 2.88 -3.530803739e+00 -3.972062180e+00 -4.088816408e+00 2.90 -3.492246161e+00 -3.942328460e+00 -4.068840774e+00 2.92 -3.453589336e+00 -3.911145024e+00 -4.044183240e+00 2.94 -3.414890422e+00 -3.878716969e+00 -4.017621503e+00 2.96 -3.376199325e+00 -3.845228719e+00 -3.989397742e+00 2.98 -3.337559516e+00 -3.810845841e+00 -3.959731240e+00 3.00 -3.299008757e+00 -3.775716714e+00 -3.928820248e+00 3.02 -3.260579770e+00 -3.739974148e+00 -3.896843710e+00 3.04 -3.222300822e+00 -3.703738094e+00 -3.863962864e+00 3.06 -3.184196270e+00 -3.667116329e+00 -3.830322719e+00 3.08 -3.146287032e+00 -3.630195743e+00 -3.796053428e+00 3.10 -3.108591027e+00 -3.593062882e+00 -3.761271553e+00 3.12 -3.071123552e+00 -3.555791393e+00 -3.726081239e+00 3.14 -3.033897631e+00 -3.518446126e+00 -3.690575296e+00 3.16 -2.996924322e+00 -3.481084080e+00 -3.654836200e+00 3.18 -2.960212989e+00 -3.443755173e+00 -3.618937015e+00 3.20 -2.923771543e+00 -3.406502962e+00 -3.582942247e+00 3.22 -2.887606661e+00 -3.369365282e+00 -3.546908627e+00 3.24 -2.851723970e+00 -3.332374850e+00 -3.510885840e+00 3.26 -2.816128220e+00 -3.295559796e+00 -3.474917185e+00 3.28 -2.780823429e+00 -3.258944167e+00 -3.439040195e+00 3.30 -2.745813009e+00 -3.222548367e+00 -3.403287197e+00 3.32 -2.711099883e+00 -3.186389574e+00 -3.367685830e+00 3.34 -2.676686582e+00 -3.150482105e+00 -3.332259525e+00 3.36 -2.642575330e+00 -3.114837755e+00 -3.297027936e+00 3.38 -2.608768119e+00 -3.079466105e+00 -3.262007345e+00 3.40 -2.575266775e+00 -3.044374793e+00 -3.227211022e+00 3.42 -2.542073013e+00 -3.009569765e+00 -3.192649565e+00 3.44 -2.509188484e+00 -2.975055501e+00 -3.158331204e+00 3.46 -2.476614821e+00 -2.940835213e+00 -3.124262079e+00 3.48 -2.444353672e+00 -2.906911030e+00 -3.090375495e+00 3.50 -2.412406735e+00 -2.873284159e+00 -3.054925325e+00 3.52 -2.380775785e+00 -2.839955026e+00 -3.013562006e+00 3.54 -2.349462696e+00 -2.806923409e+00 -2.973973711e+00 3.56 -2.318469464e+00 -2.774188551e+00 -2.941563244e+00 3.58 -2.287798226e+00 -2.741749261e+00 -2.909418378e+00 3.60 -2.257451275e+00 -2.709604001e+00 -2.877535400e+00 3.62 -2.227431068e+00 -2.677750966e+00 -2.845910024e+00 3.64 -2.197740244e+00 -2.646188154e+00 -2.814537512e+00 3.66 -2.168381621e+00 -2.614913419e+00 -2.783412772e+00 3.68 -2.139358203e+00 -2.583924528e+00 -2.752530445e+00 3.70 -2.110673176e+00 -2.553219201e+00 -2.721884992e+00 3.72 -2.082329900e+00 -2.522795151e+00 -2.691470761e+00 3.74 -2.054331892e+00 -2.492650110e+00 -2.661282049e+00 3.76 -2.026682806e+00 -2.462781862e+00 -2.631313159e+00 3.78 -1.999386400e+00 -2.433188258e+00 -2.601558447e+00 3.80 -1.972446496e+00 -2.403867238e+00 -2.572012363e+00 3.82 -1.945866928e+00 -2.374816842e+00 -2.542669485e+00 3.84 -1.919651479e+00 -2.346035220e+00 -2.513524553e+00 3.86 -1.893803805e+00 -2.317520645e+00 -2.484572490e+00 3.88 -1.868327348e+00 -2.289271512e+00 -2.455808427e+00 3.90 -1.843225239e+00 -2.261286346e+00 -2.427227716e+00 3.92 -1.818500185e+00 -2.233563805e+00 -2.398825945e+00 3.94 -1.794154353e+00 -2.206102678e+00 -2.370598949e+00 3.96 -1.770189244e+00 -2.178901889e+00 -2.342542816e+00 3.98 -1.746605566e+00 -2.151960492e+00 -2.314653895e+00 4.00 -1.723403107e+00 -2.125277675e+00 -2.286928792e+00 4.02 -1.700197162e+00 -2.098852753e+00 -2.259364377e+00 4.04 -1.666650838e+00 -2.072685168e+00 -2.231957780e+00 4.06 -1.475276560e+00 -2.046774489e+00 -2.204706386e+00 4.08 -1.219563540e+00 -2.021120404e+00 -2.177607837e+00 4.10 -1.205210158e+00 -1.995722720e+00 -2.150660019e+00 4.12 -1.187392500e+00 -1.970581356e+00 -2.123861060e+00 4.14 -1.169797320e+00 -1.945696341e+00 -2.097209322e+00 4.16 -1.152421690e+00 -1.921067803e+00 -2.070703392e+00 4.18 -1.135262756e+00 -1.896695963e+00 -2.044342076e+00 4.20 -1.118317736e+00 -1.872581125e+00 -2.018124386e+00 4.22 -1.101583918e+00 -1.848723662e+00 -1.992049532e+00 4.24 -1.085058651e+00 -1.825123998e+00 -1.966116914e+00 4.26 -1.068739349e+00 -1.801559945e+00 -1.940326108e+00 4.28 -1.052623484e+00 -1.773656004e+00 -1.914676862e+00 4.30 -1.036708583e+00 -1.728174597e+00 -1.889169077e+00 4.32 -1.020992226e+00 -1.647400286e+00 -1.863802807e+00 4.34 -1.005472043e+00 -1.602473669e+00 -1.838578237e+00 4.36 -9.901457081e-01 -1.584739847e+00 -1.813495686e+00 4.38 -9.750109416e-01 -1.567073809e+00 -1.788555584e+00 4.40 -9.594834931e-01 -1.549476041e+00 -1.763758472e+00 4.42 -9.324130648e-01 -1.531947694e+00 -1.739104989e+00 4.44 -8.478994160e-01 -1.514490492e+00 -1.714595859e+00 4.46 -6.253012859e-01 -1.497106614e+00 -1.690231887e+00 4.48 -4.791821953e-01 -1.479798600e+00 -1.666013949e+00 4.50 -4.737889353e-01 -1.462569248e+00 -1.641942980e+00 4.52 -4.684219591e-01 -1.445421524e+00 -1.618019970e+00 4.54 -4.630817599e-01 -1.428358486e+00 -1.594245954e+00 4.56 -4.577688336e-01 -1.411383211e+00 -1.570622004e+00 4.58 -4.524836777e-01 -1.394498746e+00 -1.547149221e+00 4.60 -4.472267896e-01 -1.377708060e+00 -1.523828731e+00 4.62 -4.419986663e-01 -1.361014015e+00 -1.500661675e+00 4.64 -4.367998025e-01 -1.344419343e+00 -1.477649205e+00 4.66 -4.316306903e-01 -1.327926633e+00 -1.454792477e+00 4.68 -4.264918174e-01 -1.311538327e+00 -1.432092643e+00 4.70 -4.213836669e-01 -1.295256718e+00 -1.409550850e+00 4.72 -4.163067156e-01 -1.279083956e+00 -1.387168234e+00 4.74 -4.112614339e-01 -1.263022052e+00 -1.364945911e+00 4.76 -4.062482844e-01 -1.247072892e+00 -1.342884980e+00 4.78 -4.012677213e-01 -1.231238243e+00 -1.320986510e+00 4.80 -3.963201897e-01 -1.215519762e+00 -1.299251545e+00 4.82 -3.914061249e-01 -1.199919010e+00 -1.277681094e+00 4.84 -3.865259516e-01 -1.184437454e+00 -1.256276133e+00 4.86 -3.816800835e-01 -1.169076478e+00 -1.235037597e+00 4.88 -3.768689225e-01 -1.153837390e+00 -1.213966381e+00 4.90 -3.720928586e-01 -1.138721424e+00 -1.193063336e+00 4.92 -3.664771436e-01 -1.121953458e+00 -1.170384928e+00 4.94 -3.488766259e-01 -1.080450073e+00 -1.120924243e+00 4.96 -2.904184957e-01 -9.452702238e-01 -9.721138135e-01 4.98 -1.562908217e-01 -5.767121968e-01 -5.848714565e-01 5.00 -1.866094179e-22 -6.882649340e-22 -5.736794114e-22 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 5.30 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0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00 0.000000000e+00