# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2002--Albe-K-Nordlund-K-Averback-R-S--Pt-C # implementation = Tersoff_LAMMPS_AlbeNordlundAverback_2002_PtC__MO_500121566391_003 # composition = C3Pt # 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 3.560631173e+03 nan nan 0.70 3.176646961e+03 nan nan 0.72 2.846992519e+03 nan nan 0.74 2.562169576e+03 3.620857821e+03 nan 0.76 2.307627670e+03 3.245638890e+03 3.622764897e+03 0.78 2.074553158e+03 2.906854087e+03 3.285449598e+03 0.80 1.858181808e+03 2.618346717e+03 2.981412654e+03 0.82 1.667036004e+03 2.383109104e+03 2.707067917e+03 0.84 1.506093426e+03 2.180586062e+03 2.464258661e+03 0.86 1.364987678e+03 1.990965139e+03 2.242263726e+03 0.88 1.237229612e+03 1.812613770e+03 2.034396555e+03 0.90 1.123768757e+03 1.647202123e+03 1.846809314e+03 0.92 1.022662256e+03 1.495553183e+03 1.681030691e+03 0.94 9.263372708e+02 1.361205941e+03 1.538388030e+03 0.96 8.276145997e+02 1.238973658e+03 1.408165899e+03 0.98 7.302114599e+02 1.127067840e+03 1.281466007e+03 1.00 6.394738058e+02 1.022668362e+03 1.160451688e+03 1.02 5.606606279e+02 9.229960312e+02 1.045922375e+03 1.04 4.992104436e+02 8.301412360e+02 9.422559854e+02 1.06 4.530487334e+02 7.460077362e+02 8.550286096e+02 1.08 4.159250667e+02 6.705656081e+02 7.790728886e+02 1.10 3.819549887e+02 6.064749102e+02 7.098611414e+02 1.12 3.466089349e+02 5.511697480e+02 6.484113167e+02 1.14 3.104035233e+02 5.006675911e+02 5.925409479e+02 1.16 2.750491844e+02 4.543499675e+02 5.412492382e+02 1.18 2.425210838e+02 4.128891049e+02 4.925443710e+02 1.20 2.149610271e+02 3.768692530e+02 4.468214885e+02 1.22 1.941074451e+02 3.466020482e+02 4.053941979e+02 1.24 1.780746522e+02 3.209021313e+02 3.692299859e+02 1.26 1.633618000e+02 2.970550666e+02 3.389662798e+02 1.28 1.498351461e+02 2.739253669e+02 3.111309632e+02 1.30 1.373984452e+02 2.515857269e+02 2.849653723e+02 1.32 1.259634765e+02 2.295599850e+02 2.606405922e+02 1.34 1.154493463e+02 2.063357441e+02 2.383160874e+02 1.36 1.057818547e+02 1.827990681e+02 2.181235946e+02 1.38 9.689291910e+01 1.600255454e+02 2.001413052e+02 1.40 8.832938373e+01 1.391939721e+02 1.843751775e+02 1.42 7.884703173e+01 1.209196783e+02 1.706791646e+02 1.44 6.874782727e+01 1.058317349e+02 1.582096986e+02 1.46 5.847919957e+01 9.501356763e+01 1.458236839e+02 1.48 4.847033027e+01 8.719295342e+01 1.322293306e+02 1.50 3.916033741e+01 7.969256175e+01 1.178961483e+02 1.52 3.097620149e+01 7.244782812e+01 1.033561981e+02 1.54 2.429263241e+01 6.549792607e+01 8.917573174e+01 1.56 1.928415767e+01 5.888059184e+01 7.600367849e+01 1.58 1.521696545e+01 5.263091987e+01 6.461192919e+01 1.60 1.192624186e+01 4.678155876e+01 5.581372201e+01 1.62 9.467075190e+00 4.136393556e+01 5.010455126e+01 1.64 7.788334293e+00 3.640960875e+01 4.573941969e+01 1.66 6.396651730e+00 3.195027761e+01 4.171932895e+01 1.68 5.140705839e+00 2.801475141e+01 3.800393223e+01 1.70 3.996790163e+00 2.462194398e+01 3.456950207e+01 1.72 2.943710050e+00 2.167416666e+01 3.121531966e+01 1.74 1.972819936e+00 1.905458877e+01 2.779764606e+01 1.76 1.091564940e+00 1.656155522e+01 2.438226970e+01 1.78 3.038795792e-01 1.416842115e+01 2.103210456e+01 1.80 -3.902139554e-01 1.187853928e+01 1.780342869e+01 1.82 -9.947893973e-01 9.713022803e+00 1.474318801e+01 1.84 -1.517861423e+00 7.700695243e+00 1.188769240e+01 1.86 -1.970572548e+00 5.864659989e+00 9.262974471e+00 1.88 -2.365308229e+00 4.222590215e+00 6.886921366e+00 1.90 -2.712745271e+00 2.787232986e+00 4.772908516e+00 1.92 -3.014197882e+00 1.566568286e+00 2.933943866e+00 1.94 -3.259895125e+00 5.630366249e-01 1.385358483e+00 1.96 -3.452035855e+00 -2.283892556e-01 1.434835818e-01 1.98 -3.594561341e+00 -8.225320802e-01 -7.812121443e-01 2.00 -3.692706637e+00 -1.244702130e+00 -1.394584730e+00 2.02 -3.760315727e+00 -1.579349841e+00 -1.834173860e+00 2.04 -3.808523390e+00 -1.884813225e+00 -2.224526332e+00 2.06 -3.839311346e+00 -2.153656930e+00 -2.570464969e+00 2.08 -3.854498641e+00 -2.388900446e+00 -2.880030162e+00 2.10 -3.855753767e+00 -2.593360260e+00 -3.153993740e+00 2.12 -3.844605922e+00 -2.769647038e+00 -3.391973846e+00 2.14 -3.822455472e+00 -2.920179681e+00 -3.593934842e+00 2.16 -3.790583676e+00 -3.047198457e+00 -3.760379906e+00 2.18 -3.750161718e+00 -3.159534326e+00 -3.892522062e+00 2.20 -3.702259094e+00 -3.270384828e+00 -3.992424991e+00 2.22 -3.647851402e+00 -3.371189120e+00 -4.063091630e+00 2.24 -3.587382827e+00 -3.452613189e+00 -4.108461572e+00 2.26 -3.504445737e+00 -3.506989556e+00 -4.133264377e+00 2.28 -3.383260139e+00 -3.529596063e+00 -4.142679776e+00 2.30 -3.212942175e+00 -3.519489503e+00 -4.141798096e+00 2.32 -2.983913646e+00 -3.479761336e+00 -4.134964127e+00 2.34 -2.690948190e+00 -3.417126573e+00 -4.124743434e+00 2.36 -2.335790109e+00 -3.340831189e+00 -4.106672053e+00 2.38 -1.929070611e+00 -3.260989728e+00 -4.079875883e+00 2.40 -1.491225529e+00 -3.186645066e+00 -4.045287502e+00 2.42 -1.052028971e+00 -3.124022505e+00 -4.003767092e+00 2.44 -6.482175448e-01 -3.070667562e+00 -3.956107403e+00 2.46 -3.186523399e-01 -3.015199874e+00 -3.903038402e+00 2.48 -9.696416508e-02 -2.957505068e+00 -3.845231619e+00 2.50 -3.084999921e-03 -2.897951399e+00 -3.783304217e+00 2.52 0.000000000e+00 -2.823458996e+00 -3.704618357e+00 2.54 0.000000000e+00 -2.719322187e+00 -3.592620133e+00 2.56 0.000000000e+00 -2.582954281e+00 -3.441144321e+00 2.58 0.000000000e+00 -2.412017891e+00 -3.244210594e+00 2.60 0.000000000e+00 -2.205555828e+00 -2.997684197e+00 2.62 0.000000000e+00 -1.965019406e+00 -2.700792940e+00 2.64 0.000000000e+00 -1.695080564e+00 -2.357378013e+00 2.66 0.000000000e+00 -1.404113737e+00 -1.976765676e+00 2.68 0.000000000e+00 -1.104228651e+00 -1.574136726e+00 2.70 0.000000000e+00 -8.107355666e-01 -1.170231798e+00 2.72 0.000000000e+00 -5.409501499e-01 -7.901668865e-01 2.74 0.000000000e+00 -3.123276897e-01 -4.610954717e-01 2.76 0.000000000e+00 -1.400848425e-01 -2.085758159e-01 2.78 0.000000000e+00 -3.471141233e-02 -5.196822431e-02 2.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.00 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.74 0.000000000e+00 0.000000000e+00 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