# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2019--Aslam-I-Baskes-M-I-Dickel-D-E-et-al--Fe-Mn-Si-C # implementation = 2019--Aslam-I--Fe-Mn-Si-C--LAMMPS--ipr1 # composition = C3Si # 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 4.326130038e+02 nan nan 0.92 3.876291158e+02 nan nan 0.94 3.474806873e+02 nan nan 0.96 3.116514418e+02 nan nan 0.98 2.796772105e+02 1.356898833e+02 nan 1.00 2.511417413e+02 1.241450725e+02 nan 1.02 2.256721202e+02 1.137287292e+02 1.050366921e+03 1.04 2.029346234e+02 1.043253257e+02 9.528344921e+02 1.06 1.826310404e+02 9.582879977e+01 8.641469335e+02 1.08 1.644952466e+02 8.814252716e+01 7.835186994e+02 1.10 1.482900264e+02 8.117909125e+01 7.102312400e+02 1.12 1.338041463e+02 7.485990934e+01 6.436281103e+02 1.14 1.208496758e+02 6.911475915e+01 5.831102775e+02 1.16 1.092595433e+02 6.388123696e+01 5.281316449e+02 1.18 9.888531763e+01 5.910417865e+01 4.781948146e+02 1.20 8.959520084e+01 5.473506288e+01 4.328470947e+02 1.22 8.127218910e+01 5.073133890e+01 3.916766421e+02 1.24 7.381233783e+01 4.705556014e+01 3.543085440e+02 1.26 6.712326067e+01 4.367471770e+01 3.204014106e+02 1.28 6.112263202e+01 4.055973563e+01 2.896444046e+02 1.30 5.573643484e+01 3.768501477e+01 2.617545222e+02 1.32 5.089882329e+01 3.502801923e+01 2.364741033e+02 1.34 4.655140282e+01 3.256890461e+01 2.135685551e+02 1.36 4.264207038e+01 3.029018518e+01 1.928242742e+02 1.38 3.912415774e+01 2.817643644e+01 1.740467495e+02 1.40 3.595588510e+01 2.621403119e+01 1.570588332e+02 1.42 3.309987823e+01 2.439090574e+01 1.416991666e+02 1.44 3.052273080e+01 2.269635316e+01 1.278207448e+02 1.46 2.819460757e+01 2.112084159e+01 1.152896125e+02 1.48 2.608888413e+01 1.965585413e+01 1.039836760e+02 1.50 2.418182007e+01 1.829371041e+01 9.379156585e+01 1.52 2.245226214e+01 1.702731915e+01 8.461146787e+01 1.54 2.088137518e+01 1.585007033e+01 7.635022979e+01 1.56 1.945237167e+01 1.475573131e+01 6.892253474e+01 1.58 1.815012552e+01 1.373797571e+01 6.224958034e+01 1.60 1.696113335e+01 1.279078473e+01 5.625911821e+01 1.62 1.587343731e+01 1.190869595e+01 5.088531266e+01 1.64 1.487645059e+01 1.108674644e+01 4.606818514e+01 1.66 1.396080042e+01 1.032042048e+01 4.175310636e+01 1.68 1.311818774e+01 9.605603279e+00 3.789033498e+01 1.70 1.234126208e+01 8.938539762e+00 3.443459853e+01 1.72 1.162351008e+01 8.315797950e+00 3.134471298e+01 1.74 1.095915657e+01 7.734236442e+00 2.858323745e+01 1.76 1.034307684e+01 7.190975434e+00 2.611616066e+01 1.78 9.770718960e+00 6.683370931e+00 2.391261601e+01 1.80 9.238035266e+00 6.208991791e+00 2.194462246e+01 1.82 8.741421878e+00 5.765599227e+00 2.018684814e+01 1.84 8.277665486e+00 5.351128554e+00 1.861639424e+01 1.86 7.843896564e+00 4.963672875e+00 1.721259666e+01 1.88 7.437548277e+00 4.601468513e+00 1.595684328e+01 1.90 7.056320453e+00 4.262881983e+00 1.483240481e+01 1.92 6.698148001e+00 3.946398335e+00 1.382427760e+01 1.94 6.361173252e+00 3.650610708e+00 1.291903697e+01 1.96 6.043721761e+00 3.374210969e+00 1.210470008e+01 1.98 5.744281125e+00 3.115981308e+00 1.137059734e+01 2.00 5.461482462e+00 2.874786679e+00 1.070725194e+01 2.02 5.194084210e+00 2.649568015e+00 1.010626697e+01 2.04 4.940957949e+00 2.439336098e+00 9.560219920e+00 2.06 4.701075999e+00 2.243166043e+00 9.062564470e+00 2.08 4.473500556e+00 2.060192310e+00 8.607539284e+00 2.10 4.257374179e+00 1.889604191e+00 8.190083854e+00 2.12 4.051911445e+00 1.730641729e+00 7.805761169e+00 2.14 3.856391617e+00 1.582592005e+00 7.450687053e+00 2.16 3.670152208e+00 1.444785773e+00 7.121465956e+00 2.18 3.492583310e+00 1.316594389e+00 6.815132902e+00 2.20 3.323122594e+00 1.197427017e+00 6.529101276e+00 2.22 3.161250896e+00 1.086728070e+00 6.261116097e+00 2.24 3.006488303e+00 9.839748775e-01 6.009212387e+00 2.26 2.858390685e+00 8.886755335e-01 5.771678227e+00 2.28 2.716546611e+00 8.003669327e-01 5.547022120e+00 2.30 2.580574598e+00 7.186129558e-01 5.333944236e+00 2.32 2.450120650e+00 6.430027983e-01 5.131311177e+00 2.34 2.324856052e+00 5.731494273e-01 4.938133887e+00 2.36 2.204475384e+00 5.086881518e-01 4.753548369e+00 2.38 2.088694736e+00 4.492752998e-01 4.576798885e+00 2.40 1.977250083e+00 3.945869865e-01 4.407223356e+00 2.42 1.869895819e+00 3.443179711e-01 4.244240699e+00 2.44 1.766403411e+00 2.981805897e-01 4.087339856e+00 2.46 1.666560181e+00 2.559037595e-01 3.936070304e+00 2.48 1.570168184e+00 2.172320486e-01 3.790033866e+00 2.50 1.477043173e+00 1.819248039e-01 3.648877639e+00 2.52 1.387013653e+00 1.497553340e-01 3.512287905e+00 2.54 1.299920003e+00 1.205101426e-01 3.379984882e+00 2.56 1.215613658e+00 9.398820600e-02 3.251718218e+00 2.58 1.133956362e+00 7.000029501e-02 3.127263104e+00 2.60 1.054819457e+00 4.836833520e-02 3.006416944e+00 2.62 9.780832334e-01 2.892480295e-02 2.888996490e+00 2.64 9.036363180e-01 1.151215611e-02 2.774835381e+00 2.66 8.313751001e-01 -4.017704146e-03 2.663782032e+00 2.68 7.612031980e-01 -1.780394307e-02 2.555697817e+00 2.70 6.930309581e-01 -2.997727351e-02 2.450455515e+00 2.72 6.267749842e-01 -4.066041232e-02 2.347937967e+00 2.74 5.623576972e-01 -4.996851299e-02 2.248036926e+00 2.76 4.997069219e-01 -5.800957481e-02 2.150652065e+00 2.78 4.387554982e-01 -6.488483195e-02 2.055690123e+00 2.80 3.794409179e-01 -7.068912214e-02 1.963064165e+00 2.82 3.217049825e-01 -7.551123609e-02 1.872692950e+00 2.84 2.654934836e-01 -7.943425019e-02 1.784500373e+00 2.86 2.107559020e-01 -8.253584153e-02 1.698414990e+00 2.88 1.574451272e-01 -8.488858710e-02 1.614369593e+00 2.90 1.055171935e-01 -8.656024870e-02 1.532300851e+00 2.92 5.493103460e-02 -8.761404241e-02 1.452148986e+00 2.94 5.648252930e-03 -8.810889520e-02 1.373857491e+00 2.96 -4.236709474e-02 -8.809968878e-02 1.297372878e+00 2.98 -8.914869752e-02 -8.763749033e-02 1.222644460e+00 3.00 -1.347281770e-01 -8.676977254e-02 1.149624144e+00 3.02 -1.791352604e-01 -8.554062201e-02 1.078266262e+00 3.04 -2.223979422e-01 -8.399093688e-02 1.008527400e+00 3.06 -2.645426329e-01 -8.215861508e-02 9.403662576e-01 3.08 -3.055942984e-01 -8.007873228e-02 8.737435120e-01 3.10 -3.455765870e-01 -7.778371091e-02 8.086216943e-01 3.12 -3.845119489e-01 -7.530348082e-02 7.449650761e-01 3.14 -4.224217444e-01 -7.266563099e-02 6.827395652e-01 3.16 -4.593263447e-01 -6.989555367e-02 6.219126072e-01 3.18 -4.952452241e-01 -6.701658115e-02 5.624530941e-01 3.20 -5.301970449e-01 -6.405011476e-02 5.043312785e-01 3.22 -5.641997348e-01 -6.101574747e-02 4.475186937e-01 3.24 -5.972705576e-01 -5.793137988e-02 3.919880771e-01 3.26 -6.294261780e-01 -5.481332959e-02 3.377132991e-01 3.28 -6.606827207e-01 -5.167643517e-02 2.846692949e-01 3.30 -6.910558234e-01 -4.853415405e-02 2.328320008e-01 3.32 -7.205606852e-01 -4.539865506e-02 1.821782933e-01 3.34 -7.492121107e-01 -4.228090611e-02 1.326859311e-01 3.36 -7.770245492e-01 -3.919075658e-02 8.433350086e-02 3.38 -8.040121302e-01 -3.613701524e-02 3.710036498e-02 3.40 -8.301886949e-01 -3.312752387e-02 -9.033387494e-03 3.42 -8.555678251e-01 -3.016922630e-02 -5.408698741e-02 3.44 -8.801628678e-01 -2.726823379e-02 -9.807902987e-02 3.46 -9.039869581e-01 -2.442988644e-02 -1.410275161e-01 3.48 -9.270530386e-01 -2.165881081e-02 -1.829498927e-01 3.50 -9.493738771e-01 -1.895897453e-02 -2.238630896e-01 3.52 -9.709620814e-01 -1.633373720e-02 -2.637835546e-01 3.54 -9.918301125e-01 -1.378589829e-02 -3.027272873e-01 3.56 -1.011990296e+00 -1.131774243e-02 -3.407098698e-01 3.58 -1.031454833e+00 -8.931081370e-03 -3.777464966e-01 3.60 -1.050235805e+00 -6.627293677e-03 -4.138520015e-01 3.62 -1.068345185e+00 -4.407361878e-03 -4.490408842e-01 3.64 -1.085794840e+00 -2.271906991e-03 -4.833273336e-01 3.66 -1.102596539e+00 -2.212211146e-04 -5.167252506e-01 3.68 -1.118761950e+00 1.744702277e-03 -5.492482693e-01 3.70 -1.134302653e+00 3.626140118e-03 -5.809097761e-01 3.72 -1.149230131e+00 5.423613200e-03 -6.117229274e-01 3.74 -1.163555780e+00 7.137861648e-03 -6.417006671e-01 3.76 -1.177290907e+00 8.769822044e-03 -6.708557409e-01 3.78 -1.190446726e+00 1.032060597e-02 -6.992007112e-01 3.80 -1.203034366e+00 1.179148036e-02 -7.267479696e-01 3.82 -1.215064864e+00 1.318384904e-02 -7.535097489e-01 3.84 -1.226549167e+00 1.449923567e-02 -7.794981335e-01 3.86 -1.237498128e+00 1.573926802e-02 -8.047250697e-01 3.88 -1.247922511e+00 1.690566336e-02 -8.292023738e-01 3.90 -1.257832982e+00 1.800021496e-02 -8.529417409e-01 3.92 -1.267240112e+00 1.902477972e-02 -8.759547510e-01 3.94 -1.276154375e+00 1.998126669e-02 -8.982528761e-01 3.96 -1.284586142e+00 2.087162655e-02 -9.198474854e-01 3.98 -1.292545687e+00 2.169784203e-02 -9.407498502e-01 4.00 -1.300043176e+00 2.246191899e-02 -9.609711484e-01 4.02 -1.310402337e+00 2.316587844e-02 -9.805224679e-01 4.04 -1.368558278e+00 2.381174910e-02 -9.994148100e-01 4.06 -1.553828818e+00 2.440156077e-02 -1.017659092e+00 4.08 -1.763965841e+00 2.493733825e-02 -1.035266148e+00 4.10 -1.771698550e+00 2.542109582e-02 -1.052246734e+00 4.12 -1.774115405e+00 2.585483233e-02 -1.068611526e+00 4.14 -1.776110763e+00 2.624052677e-02 -1.084371122e+00 4.16 -1.777696001e+00 2.658013424e-02 -1.099536043e+00 4.18 -1.778882268e+00 2.687558249e-02 -1.114116733e+00 4.20 -1.779680494e+00 2.712876876e-02 -1.128123561e+00 4.22 -1.780101385e+00 2.734155702e-02 -1.141566817e+00 4.24 -1.780155438e+00 2.751577558e-02 -1.154456716e+00 4.26 -1.779852934e+00 2.765321504e-02 -1.166803393e+00 4.28 -1.779203950e+00 2.775562645e-02 -1.178616907e+00 4.30 -1.778218357e+00 2.782471989e-02 -1.189907238e+00 4.32 -1.776905827e+00 2.786216313e-02 -1.200684285e+00 4.34 -1.775275833e+00 2.786958070e-02 -1.210957866e+00 4.36 -1.773337656e+00 2.784855303e-02 -1.220737718e+00 4.38 -1.771100383e+00 2.780061590e-02 -1.230033496e+00 4.40 -1.769152749e+00 2.772725997e-02 -1.238854766e+00 4.42 -1.777540224e+00 2.762993056e-02 -1.247211015e+00 4.44 -1.818655658e+00 2.751002752e-02 -1.255111637e+00 4.46 -1.879135039e+00 2.736890529e-02 -1.262565943e+00 4.48 -1.878832497e+00 2.720787303e-02 -1.269583150e+00 4.50 -1.869620979e+00 2.702819489e-02 -1.276172388e+00 4.52 -1.860340542e+00 2.683109038e-02 -1.282342693e+00 4.54 -1.850993939e+00 2.661773486e-02 -1.288103008e+00 4.56 -1.841583891e+00 2.638926001e-02 -1.293462182e+00 4.58 -1.832113087e+00 2.614675451e-02 -1.298428968e+00 4.60 -1.822584181e+00 2.589126467e-02 -1.303012023e+00 4.62 -1.812999793e+00 2.562379521e-02 -1.307219906e+00 4.64 -1.803362508e+00 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