# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2012--Ko-W-S-Kim-N-J-Lee-B-J--Fe-P # implementation = 2012--Ko-W-S--Fe-P--LAMMPS--ipr1 # composition = FeP3 # 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 4.141111791e+02 nan nan 0.86 3.845461942e+02 nan nan 0.88 3.569892135e+02 nan nan 0.90 3.313074821e+02 nan nan 0.92 3.073768790e+02 3.057903165e+02 nan 0.94 2.850813616e+02 2.860712907e+02 3.947638175e+02 0.96 2.643124460e+02 2.675484561e+02 3.695157862e+02 0.98 2.449687207e+02 2.501514037e+02 3.458000884e+02 1.00 2.269553909e+02 2.338137998e+02 3.235260707e+02 1.02 2.101838519e+02 2.184731526e+02 3.026083688e+02 1.04 1.945712900e+02 2.040705921e+02 2.829666020e+02 1.06 1.800403086e+02 1.905506626e+02 2.645250843e+02 1.08 1.665185787e+02 1.778611267e+02 2.472125529e+02 1.10 1.539385111e+02 1.659527809e+02 2.309619122e+02 1.12 1.422369499e+02 1.547792812e+02 2.157099923e+02 1.14 1.313548857e+02 1.442969790e+02 2.013973212e+02 1.16 1.212371870e+02 1.344647664e+02 1.879679109e+02 1.18 1.118323491e+02 1.252439297e+02 1.753690550e+02 1.20 1.030922585e+02 1.165980121e+02 1.635511381e+02 1.22 9.497197329e+01 1.084926834e+02 1.524674569e+02 1.24 8.742951685e+01 1.008956179e+02 1.420740506e+02 1.26 8.042568520e+01 9.377637895e+01 1.323295415e+02 1.28 7.392386679e+01 8.710630953e+01 1.231949852e+02 1.30 6.788987356e+01 8.085843015e+01 1.146337288e+02 1.32 6.229178327e+01 7.500734180e+01 1.066112775e+02 1.34 5.709979162e+01 6.952913468e+01 9.909516933e+01 1.36 5.228607421e+01 6.440130221e+01 9.205485635e+01 1.38 4.782465714e+01 5.960265988e+01 8.546159332e+01 1.40 4.369129618e+01 5.511326874e+01 7.928833255e+01 1.42 3.986336357e+01 5.091436336e+01 7.350962492e+01 1.44 3.631974227e+01 4.698828382e+01 6.810152655e+01 1.46 3.304072694e+01 4.331841165e+01 6.304151095e+01 1.48 3.000793139e+01 3.988910944e+01 5.830838620e+01 1.50 2.720420202e+01 3.668566388e+01 5.388221696e+01 1.52 2.461353680e+01 3.369423213e+01 4.974425098e+01 1.54 2.222100963e+01 3.090179124e+01 4.587684992e+01 1.56 2.001269947e+01 2.829609044e+01 4.226342406e+01 1.58 1.797562414e+01 2.586560626e+01 3.888837096e+01 1.60 1.609767844e+01 2.359950012e+01 3.573701759e+01 1.62 1.436757626e+01 2.148757847e+01 3.279556578e+01 1.64 1.277479643e+01 1.952025517e+01 3.005104096e+01 1.66 1.130953216e+01 1.768851601e+01 2.749124376e+01 1.68 9.962643708e+00 1.598388535e+01 2.510470450e+01 1.70 8.725614221e+00 1.439839460e+01 2.288064030e+01 1.72 7.590508339e+00 1.292455261e+01 2.080891469e+01 1.74 6.549933611e+00 1.155531768e+01 1.887999955e+01 1.76 5.597004363e+00 1.028407125e+01 1.708493932e+01 1.78 4.725307971e+00 9.104593074e+00 1.541531723e+01 1.80 3.928873307e+00 8.011037850e+00 1.386322355e+01 1.82 3.202141288e+00 6.997913200e+00 1.242122566e+01 1.84 2.539937315e+00 6.060058915e+00 1.108233990e+01 1.86 1.937445567e+00 5.192627409e+00 9.840005013e+00 1.88 1.390184935e+00 4.391065303e+00 8.688057183e+00 1.90 8.939865817e-01 3.651096084e+00 7.620706517e+00 1.92 4.449729403e-01 2.968703759e+00 6.632514899e+00 1.94 3.953812655e-02 2.340117466e+00 5.718375139e+00 1.96 -3.256703808e-01 1.761796982e+00 4.873491343e+00 1.98 -6.537688359e-01 1.230419062e+00 4.093360439e+00 2.00 -9.476532029e-01 7.428645835e-01 3.373754771e+00 2.02 -1.210014070e+00 2.962064352e-01 2.710705727e+00 2.04 -1.443350581e+00 -1.123018891e-01 2.100488320e+00 2.06 -1.649983445e+00 -4.852370308e-01 1.539606671e+00 2.08 -1.832067074e+00 -8.250158802e-01 1.024780350e+00 2.10 -1.991600933e+00 -1.133905101e+00 5.529315154e-01 2.12 -2.130440117e+00 -1.414030095e+00 1.211728107e-01 2.14 -2.250305237e+00 -1.667383450e+00 -2.732040293e-01 2.16 -2.352791641e+00 -1.895832884e+00 -6.327389005e-01 2.18 -2.439378027e+00 -2.101128730e+00 -9.598134206e-01 2.20 -2.511434472e+00 -2.284910985e+00 -1.256660427e+00 2.22 -2.570229935e+00 -2.448715934e+00 -1.525372914e+00 2.24 -2.616939246e+00 -2.593982402e+00 -1.767912443e+00 2.26 -2.652649642e+00 -2.722057625e+00 -1.986117058e+00 2.28 -2.678366846e+00 -2.834202779e+00 -2.181708732e+00 2.30 -2.695020757e+00 -2.931598191e+00 -2.356300375e+00 2.32 -2.703470741e+00 -3.015348232e+00 -2.511402428e+00 2.34 -2.704510577e+00 -3.086485929e+00 -2.648429062e+00 2.36 -2.698873062e+00 -3.145977307e+00 -2.768704019e+00 2.38 -2.687234310e+00 -3.194725461e+00 -2.873466101e+00 2.40 -2.670217756e+00 -3.233574408e+00 -2.963874332e+00 2.42 -2.648397894e+00 -3.263312693e+00 -3.041012819e+00 2.44 -2.622303753e+00 -3.284676787e+00 -3.105895322e+00 2.46 -2.592422146e+00 -3.298354293e+00 -3.159469551e+00 2.48 -2.559200692e+00 -3.304986944e+00 -3.202621210e+00 2.50 -2.523050632e+00 -3.305173437e+00 -3.236177797e+00 2.52 -2.484349458e+00 -3.299472096e+00 -3.260912185e+00 2.54 -2.443443350e+00 -3.288403369e+00 -3.277545978e+00 2.56 -2.400642328e+00 -3.272452184e+00 -3.286752678e+00 2.58 -2.356155397e+00 -3.252070162e+00 -3.289160652e+00 2.60 -2.310282620e+00 -3.227677694e+00 -3.285355936e+00 2.62 -2.263476440e+00 -3.199665903e+00 -3.275884856e+00 2.64 -2.215800937e+00 -3.168398476e+00 -3.261256499e+00 2.66 -2.167457144e+00 -3.134213394e+00 -3.241945040e+00 2.68 -2.118627780e+00 -3.097424559e+00 -3.218391919e+00 2.70 -2.069478632e+00 -3.058323313e+00 -3.191007898e+00 2.72 -2.020159839e+00 -3.017177485e+00 -3.160174986e+00 2.74 -1.970807079e+00 -2.974224421e+00 -3.126248252e+00 2.76 -1.921542683e+00 -2.929711828e+00 -3.089557528e+00 2.78 -1.872476662e+00 -2.883872915e+00 -3.050409007e+00 2.80 -1.823707665e+00 -2.836887267e+00 -3.009086752e+00 2.82 -1.775323871e+00 -2.788938169e+00 -2.965854100e+00 2.84 -1.727403815e+00 -2.740194740e+00 -2.920954995e+00 2.86 -1.680017152e+00 -2.690812864e+00 -2.874615231e+00 2.88 -1.633225375e+00 -2.640936052e+00 -2.827043621e+00 2.90 -1.587082475e+00 -2.590696263e+00 -2.778433100e+00 2.92 -1.541635552e+00 -2.540214668e+00 -2.728961754e+00 2.94 -1.496925389e+00 -2.489602367e+00 -2.678793787e+00 2.96 -1.452986974e+00 -2.438961065e+00 -2.628080436e+00 2.98 -1.409849997e+00 -2.388383702e+00 -2.576960818e+00 3.00 -1.367539297e+00 -2.337955052e+00 -2.525562737e+00 3.02 -1.326075288e+00 -2.287752271e+00 -2.474003431e+00 3.04 -1.285474342e+00 -2.237845426e+00 -2.422390283e+00 3.06 -1.245749155e+00 -2.188297982e+00 -2.370821476e+00 3.08 -1.206909079e+00 -2.139167260e+00 -2.319386621e+00 3.10 -1.168960425e+00 -2.090504867e+00 -2.268167334e+00 3.12 -1.131906757e+00 -2.042357100e+00 -2.217236584e+00 3.14 -1.095749147e+00 -1.994765321e+00 -2.166529876e+00 3.16 -1.060486426e+00 -1.947766315e+00 -2.115528024e+00 3.18 -1.026115400e+00 -1.901392615e+00 -2.064462775e+00 3.20 -9.926310634e-01 -1.855672817e+00 -2.015335459e+00 3.22 -9.600267893e-01 -1.810631869e+00 -1.966800441e+00 3.24 -9.282945024e-01 -1.766291340e+00 -1.918869286e+00 3.26 -8.974248431e-01 -1.722669676e+00 -1.871576707e+00 3.28 -8.674073163e-01 -1.679782438e+00 -1.824953270e+00 3.30 -8.382304279e-01 -1.637642525e+00 -1.779025699e+00 3.32 -8.098818110e-01 -1.596260377e+00 -1.733817159e+00 3.34 -7.823483412e-01 -1.555644175e+00 -1.689347524e+00 3.36 -7.556162425e-01 -1.515800018e+00 -1.645633623e+00 3.38 -7.296711841e-01 -1.476732094e+00 -1.602689477e+00 3.40 -7.044983695e-01 -1.438442838e+00 -1.560526514e+00 3.42 -6.800826171e-01 -1.400933080e+00 -1.519153771e+00 3.44 -6.564084345e-01 -1.364202181e+00 -1.478578088e+00 3.46 -6.334600858e-01 -1.328248162e+00 -1.438804281e+00 3.48 -6.112216529e-01 -1.293067825e+00 -1.399835314e+00 3.50 -5.896770915e-01 -1.258656862e+00 -1.361672447e+00 3.52 -5.688102815e-01 -1.225009960e+00 -1.324315384e+00 3.54 -5.486050726e-01 -1.192120897e+00 -1.287762410e+00 3.56 -5.290453259e-01 -1.159982633e+00 -1.252010510e+00 3.58 -5.101149510e-01 -1.128587393e+00 -1.217055494e+00 3.60 -4.918785960e-01 -1.097926742e+00 -1.182892099e+00 3.62 -4.886949049e-01 -1.067991662e+00 -1.149514097e+00 3.64 -5.724542961e-01 -1.038772615e+00 -1.116914382e+00 3.66 -7.596411699e-01 -1.010259605e+00 -1.085085066e+00 3.68 -8.244479224e-01 -9.824422369e-01 -1.054017556e+00 3.70 -8.055411239e-01 -9.553097705e-01 -1.023702629e+00 3.72 -7.872469941e-01 -9.288511675e-01 -9.941305073e-01 3.74 -7.695509507e-01 -9.030551378e-01 -9.652909188e-01 3.76 -7.524386230e-01 -8.779101818e-01 -9.371731608e-01 3.78 -7.358958525e-01 -8.534046289e-01 -9.097661550e-01 3.80 -7.199086924e-01 -8.295266731e-01 -8.830584999e-01 3.82 -7.044634067e-01 -8.063084767e-01 -8.570385189e-01 3.84 -6.895464671e-01 -7.876095087e-01 -8.316943046e-01 3.86 -6.751445504e-01 -7.905641942e-01 -8.070137598e-01 3.88 -6.612445341e-01 -8.263465428e-01 -7.829846356e-01 3.90 -6.478334916e-01 -8.402432704e-01 -7.595945664e-01 3.92 -6.348986867e-01 -8.180123547e-01 -7.368311013e-01 3.94 -6.224383559e-01 -7.963452031e-01 -7.146817342e-01 3.96 -6.197788242e-01 -7.752298449e-01 -6.931339309e-01 3.98 -6.888093080e-01 -7.546543940e-01 -6.721751531e-01 4.00 -8.078634985e-01 -7.346070622e-01 -6.517928820e-01 4.02 -7.590096714e-01 -7.150761707e-01 -6.319746383e-01 4.04 -7.297605218e-01 -6.960501602e-01 -6.127080013e-01 4.06 -7.190299416e-01 -6.775176011e-01 -5.939806259e-01 4.08 -7.084374167e-01 -6.594672011e-01 -5.757802583e-01 4.10 -6.979827193e-01 -6.418878133e-01 -5.580947496e-01 4.12 -6.876655352e-01 -6.247684421e-01 -5.409120691e-01 4.14 -6.774854621e-01 -6.080982497e-01 -5.242203147e-01 4.16 -6.674420100e-01 -5.918665604e-01 -5.080077241e-01 4.18 -6.575346017e-01 -5.760628654e-01 -4.922626828e-01 4.20 -6.477625739e-01 -5.606768262e-01 -4.769737329e-01 4.22 -6.381251796e-01 -5.456982775e-01 -4.621295797e-01 4.24 -6.286215908e-01 -5.311172302e-01 -4.477190979e-01 4.26 -6.192509020e-01 -5.169238729e-01 -4.337313370e-01 4.28 -6.100121335e-01 -5.031085735e-01 -4.201555257e-01 4.30 -6.009042364e-01 -4.896618807e-01 -4.069810760e-01 4.32 -5.919260964e-01 -4.765745240e-01 -3.941975861e-01 4.34 -5.830765389e-01 -4.638374146e-01 -3.817948432e-01 4.36 -5.743543343e-01 -4.514416451e-01 -3.697628254e-01 4.38 -5.657582024e-01 -4.393784892e-01 -3.580917035e-01 4.40 -5.572868178e-01 -4.276394012e-01 -3.467718416e-01 4.42 -5.481134200e-01 -4.165111070e-01 -3.371659251e-01 4.44 -5.274595427e-01 -4.092089716e-01 -3.456989647e-01 4.46 -4.625029225e-01 -4.016216235e-01 -3.933515525e-01 4.48 -2.840148000e-01 -3.099744393e-01 -3.713934875e-01 4.50 -2.835066270e-22 -4.928410298e-22 -5.519939852e-22 4.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.54 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