# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2014--Kang-K-H-Eun-T-Jun-M-C-Lee-B-J--Si-C # implementation = 2014--Kang-K-H--Si-C--LAMMPS--ipr1 # composition = CSi3 # 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 2024-11-27 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 6.393866363e+02 nan nan 0.80 6.019431618e+02 nan nan 0.82 5.663394274e+02 nan nan 0.84 5.325059388e+02 4.733045424e+02 nan 0.86 5.003756556e+02 4.435872681e+02 9.382282606e+02 0.88 4.698834752e+02 4.156285534e+02 8.824649509e+02 0.90 4.409658761e+02 3.893262276e+02 8.299294013e+02 0.92 4.135606874e+02 3.645842392e+02 7.804333603e+02 0.94 3.876069566e+02 3.413123117e+02 7.337998228e+02 0.96 3.630448939e+02 3.194256193e+02 6.898623358e+02 0.98 3.398158769e+02 2.988444766e+02 6.484643494e+02 1.00 3.178625040e+02 2.794940479e+02 6.094586084e+02 1.02 2.971286894e+02 2.613040709e+02 5.727065836e+02 1.04 2.775597927e+02 2.442085964e+02 5.380779407e+02 1.06 2.591027752e+02 2.281457370e+02 5.054500435e+02 1.08 2.417063669e+02 2.130574225e+02 4.747074922e+02 1.10 2.253212215e+02 1.988891527e+02 4.457416971e+02 1.12 2.099000337e+02 1.855897459e+02 4.184504861e+02 1.14 1.953975896e+02 1.731110802e+02 3.927377497e+02 1.16 1.817707327e+02 1.614078311e+02 3.685131197e+02 1.18 1.689782399e+02 1.504372129e+02 3.456916829e+02 1.20 1.569806199e+02 1.401587340e+02 3.241937193e+02 1.22 1.457398553e+02 1.305339759e+02 3.039444588e+02 1.24 1.352191172e+02 1.215264028e+02 2.848738401e+02 1.26 1.253824747e+02 1.131012043e+02 2.669162568e+02 1.28 1.161946163e+02 1.052251688e+02 2.500102787e+02 1.30 1.076205975e+02 9.786657924e+01 2.340983354e+02 1.32 9.962562957e+01 9.099512309e+01 2.191263630e+02 1.34 9.217493083e+01 8.458180617e+01 2.050434212e+02 1.36 8.523367083e+01 7.859886564e+01 1.918012966e+02 1.38 7.876703732e+01 7.301968141e+01 1.793541192e+02 1.40 7.274045084e+01 6.781869218e+01 1.676580207e+02 1.42 6.711993314e+01 6.297132695e+01 1.566708640e+02 1.44 6.187261191e+01 5.845396522e+01 1.463520679e+02 1.46 5.696731634e+01 5.424393749e+01 1.366625392e+02 1.48 5.237519425e+01 5.031957117e+01 1.275647103e+02 1.50 4.807026687e+01 4.666027807e+01 1.190226640e+02 1.52 4.402983779e+01 4.324666875e+01 1.110023112e+02 1.54 4.023468894e+01 4.006067063e+01 1.034715771e+02 1.56 3.666902832e+01 3.708562158e+01 9.640054855e+01 1.58 3.332019310e+01 3.430631250e+01 8.976153828e+01 1.60 3.017815007e+01 3.170895915e+01 8.352903781e+01 1.62 2.723486396e+01 2.928109619e+01 7.767954966e+01 1.64 2.448361715e+01 2.701139977e+01 7.219131086e+01 1.66 2.191836094e+01 2.488945920e+01 6.704394106e+01 1.68 1.953316248e+01 2.290552761e+01 6.221806190e+01 1.70 1.732178824e+01 2.105028607e+01 5.769494082e+01 1.72 1.527744053e+01 1.931465381e+01 5.345620873e+01 1.74 1.339264245e+01 1.768967007e+01 4.948368963e+01 1.76 1.165925143e+01 1.616646123e+01 4.575936219e+01 1.78 1.006857244e+01 1.473629363e+01 4.226545298e+01 1.80 8.611538161e+00 1.339069920e+01 3.898464123e+01 1.82 7.278923846e+00 1.212165049e+01 3.590033848e+01 1.84 6.061568206e+00 1.092175493e+01 3.299699768e+01 1.86 4.950576825e+00 9.784437161e+00 3.026040339e+01 1.88 3.937491103e+00 8.704081376e+00 2.767790110e+01 1.90 3.014412507e+00 7.676113744e+00 2.523853463e+01 1.92 2.174078414e+00 6.697014714e+00 2.293307655e+01 1.94 1.409891547e+00 5.764261850e+00 2.075395201e+01 1.96 7.159093083e-01 4.876212862e+00 1.869507068e+01 1.98 8.680218387e-02 4.031945278e+00 1.675159143e+01 2.00 -4.822085852e-01 3.231072022e+00 1.491964869e+01 2.02 -9.954240312e-01 2.473552417e+00 1.319607004e+01 2.04 -1.456742676e+00 1.759515068e+00 1.157810990e+01 2.06 -1.869731331e+00 1.089105001e+00 1.006321801e+01 2.08 -2.237687177e+00 4.623623390e-01 8.648853986e+00 2.10 -2.563688875e+00 -1.208647810e-01 7.332352108e+00 2.12 -2.850636180e+00 -6.609741615e-01 6.110834928e+00 2.14 -3.101278783e+00 -1.158634168e+00 4.981170216e+00 2.16 -3.318235878e+00 -1.614784365e+00 3.939963375e+00 2.18 -3.504008295e+00 -2.030618020e+00 2.983576704e+00 2.20 -3.660985138e+00 -2.407552245e+00 2.108167005e+00 2.22 -3.791446639e+00 -2.747190755e+00 1.309734173e+00 2.24 -3.897564743e+00 -3.051283455e+00 5.841745475e-01 2.26 -3.981402564e+00 -3.321685981e+00 -7.266556577e-02 2.28 -4.044914148e+00 -3.560321465e+00 -6.649395594e-01 2.30 -4.089944618e+00 -3.769145960e+00 -1.196755459e+00 2.32 -4.118222539e+00 -3.950118322e+00 -1.672137297e+00 2.34 -4.131372947e+00 -4.105174851e+00 -2.094993341e+00 2.36 -4.130913849e+00 -4.236208637e+00 -2.469091072e+00 2.38 -4.118257208e+00 -4.345053312e+00 -2.798038467e+00 2.40 -4.094713528e+00 -4.433470815e+00 -3.085270961e+00 2.42 -4.061495738e+00 -4.503142618e+00 -3.334043297e+00 2.44 -4.019723540e+00 -4.555663968e+00 -3.547425554e+00 2.46 -3.970428066e+00 -4.592540579e+00 -3.728302558e+00 2.48 -3.914556763e+00 -4.615187373e+00 -3.879376048e+00 2.50 -3.852978352e+00 -4.624928810e+00 -4.003168928e+00 2.52 -3.786487813e+00 -4.623000490e+00 -4.102031150e+00 2.54 -3.715811302e+00 -4.610551678e+00 -4.178146719e+00 2.56 -3.641610946e+00 -4.588648537e+00 -4.233541484e+00 2.58 -3.564489470e+00 -4.558277823e+00 -4.270091413e+00 2.60 -3.484994632e+00 -4.520350895e+00 -4.289531092e+00 2.62 -3.403623436e+00 -4.475707891e+00 -4.293462284e+00 2.64 -3.320826106e+00 -4.425121964e+00 -4.283362386e+00 2.66 -3.237009826e+00 -4.369303510e+00 -4.260592690e+00 2.68 -3.152542240e+00 -4.308904296e+00 -4.226406363e+00 2.70 -3.067754708e+00 -4.244521481e+00 -4.181956115e+00 2.72 -2.982945336e+00 -4.176701466e+00 -4.128301501e+00 2.74 -2.898381780e+00 -4.105943567e+00 -4.066415883e+00 2.76 -2.814303843e+00 -4.032703499e+00 -3.997193037e+00 2.78 -2.730925867e+00 -3.957396659e+00 -3.921658574e+00 2.80 -2.648438947e+00 -3.880401205e+00 -3.842273967e+00 2.82 -2.567012973e+00 -3.802060941e+00 -3.760958194e+00 2.84 -2.486798512e+00 -3.722688011e+00 -3.670729448e+00 2.86 -2.407928557e+00 -3.642565395e+00 -3.575266494e+00 2.88 -2.330520148e+00 -3.561949241e+00 -3.476531089e+00 2.90 -2.254675894e+00 -3.481071017e+00 -3.375017502e+00 2.92 -2.180485394e+00 -3.400139510e+00 -3.271184621e+00 2.94 -2.108026597e+00 -3.319342670e+00 -3.165461143e+00 2.96 -2.037367098e+00 -3.238849315e+00 -3.058250936e+00 2.98 -1.968565389e+00 -3.158810706e+00 -2.949938617e+00 3.00 -1.901672086e+00 -3.079361999e+00 -2.840895397e+00 3.02 -1.836731122e+00 -3.000623583e+00 -2.731485210e+00 3.04 -1.773780915e+00 -2.922702311e+00 -2.622071092e+00 3.06 -1.712855498e+00 -2.845692641e+00 -2.513021733e+00 3.08 -1.653985574e+00 -2.769677678e+00 -2.404718007e+00 3.10 -1.597199460e+00 -2.694730139e+00 -2.297559194e+00 3.12 -1.542523844e+00 -2.620913241e+00 -2.191968460e+00 3.14 -1.489984264e+00 -2.548281514e+00 -2.088397011e+00 3.16 -1.439605181e+00 -2.476881554e+00 -1.987326170e+00 3.18 -1.391409527e+00 -2.406752714e+00 -1.889266513e+00 3.20 -1.344132217e+00 -2.337927740e+00 -1.794753140e+00 3.22 -1.272500986e+00 -2.270433356e+00 -1.704336211e+00 3.24 -1.251650835e+00 -2.204290802e+00 -1.618566151e+00 3.26 -1.304945955e+00 -2.139516333e+00 -1.537973383e+00 3.28 -1.275648097e+00 -2.076121669e+00 -1.463043146e+00 3.30 -1.244752879e+00 -2.014114421e+00 -1.394186889e+00 3.32 -1.214394142e+00 -1.953498471e+00 -1.331712635e+00 3.34 -1.184581163e+00 -1.894274332e+00 -1.275797577e+00 3.36 -1.155321151e+00 -1.836439474e+00 -1.226466567e+00 3.38 -1.126619435e+00 -1.779988709e+00 -1.183580030e+00 3.40 -1.098479648e+00 -1.725485913e+00 -1.146833951e+00 3.42 -1.070903885e+00 -1.678110636e+00 -1.115773052e+00 3.44 -1.043892857e+00 -1.646533643e+00 -1.089816398e+00 3.46 -1.017446026e+00 -1.622496423e+00 -1.068292740e+00 3.48 -9.915617301e-01 -1.573330874e+00 -1.050481495e+00 3.50 -9.663420544e-01 -1.523819810e+00 -1.035654558e+00 3.52 -9.468249546e-01 -1.475612241e+00 -1.023114392e+00 3.54 -9.476911379e-01 -1.428689488e+00 -1.012224800e+00 3.56 -9.366710107e-01 -1.383031936e+00 -1.002432282e+00 3.58 -8.101242752e-01 -1.338619165e+00 -9.932774031e-01 3.60 -7.924739090e-01 -1.295430066e+00 -9.843970201e-01 3.62 -7.750953465e-01 -1.253442943e+00 -9.755191118e-01 3.64 -7.579913836e-01 -1.212635620e+00 -9.664524667e-01 3.66 -7.411642237e-01 -1.172985522e+00 -9.570734973e-01 3.68 -7.246155211e-01 -1.134469763e+00 -9.473121776e-01 3.70 -7.083464229e-01 -1.097065219e+00 -9.371386259e-01 3.72 -6.923576067e-01 -1.060748594e+00 -9.265513311e-01 3.74 -6.766493172e-01 -1.025496489e+00 -9.155675221e-01 3.76 -6.612213997e-01 -9.912854527e-01 -9.042157841e-01 3.78 -6.460733314e-01 -9.580920364e-01 -8.925307391e-01 3.80 -6.312042507e-01 -9.258928399e-01 -8.805494535e-01 3.82 -6.166129852e-01 -8.946645544e-01 -8.683091753e-01 3.84 -6.022980770e-01 -8.643840011e-01 -8.558460205e-01 3.86 -5.882578069e-01 -8.350281654e-01 -8.431942897e-01 3.88 -5.744902171e-01 -8.065742287e-01 -8.303861726e-01 3.90 -5.609931318e-01 -7.789995957e-01 -8.174516726e-01 3.92 -5.468485625e-01 -7.515590756e-01 -8.060762800e-01 3.94 -5.202793532e-01 -7.148583302e-01 -8.145978283e-01 3.96 -4.473772906e-01 -6.356079138e-01 -8.516445379e-01 3.98 -2.655034008e-01 -4.126856205e-01 -7.107083737e-01 4.00 -1.882126206e-22 -4.223879193e-22 -4.687215603e-22 4.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 0.000000000e+00 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 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 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