# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Kim-J-S-Seol-D-Ji-J-et-al--Ni-Pt # implementation = 2017--Kim-J-S--Ni-Pt--LAMMPS--ipr1 # composition = NiPt3 # 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 1.984044823e+03 nan nan 0.86 1.830048301e+03 nan nan 0.88 1.687606191e+03 nan nan 0.90 1.555871524e+03 nan nan 0.92 1.434058270e+03 1.590278983e+03 nan 0.94 1.321437026e+03 1.479487208e+03 1.937989586e+03 0.96 1.217330995e+03 1.376099448e+03 1.805792826e+03 0.98 1.121112257e+03 1.279635189e+03 1.682242412e+03 1.00 1.032198298e+03 1.189644374e+03 1.566790185e+03 1.02 9.500487746e+02 1.105705511e+03 1.458921839e+03 1.04 8.741625199e+02 1.027423900e+03 1.358154884e+03 1.06 8.040747445e+02 9.544299583e+02 1.264036717e+03 1.08 7.393544441e+02 8.863776605e+02 1.176142819e+03 1.10 6.796019846e+02 8.229430645e+02 1.094075048e+03 1.12 6.244468595e+02 7.638229330e+02 1.017460039e+03 1.14 5.735456034e+02 7.087334373e+02 9.459477039e+02 1.16 5.265798546e+02 6.574089420e+02 8.792098075e+02 1.18 4.832545521e+02 6.096008637e+02 8.169386408e+02 1.20 4.432962625e+02 5.650766003e+02 7.588457673e+02 1.22 4.064516232e+02 5.236185260e+02 7.046608452e+02 1.24 3.724858969e+02 4.850230488e+02 6.541305207e+02 1.26 3.411816284e+02 4.490997256e+02 6.070173868e+02 1.28 3.123373965e+02 4.156704322e+02 5.630990047e+02 1.30 2.857666545e+02 3.845685851e+02 5.221669844e+02 1.32 2.612966535e+02 3.556384109e+02 4.840261196e+02 1.34 2.387674422e+02 3.287342614e+02 4.484935756e+02 1.36 2.180309376e+02 3.037199710e+02 4.153981255e+02 1.38 1.989500627e+02 2.804682542e+02 3.845794325e+02 1.40 1.813979451e+02 2.588601408e+02 3.558873761e+02 1.42 1.652571734e+02 2.387844455e+02 3.291814179e+02 1.44 1.504191066e+02 2.201372719e+02 3.043300073e+02 1.46 1.367832334e+02 2.028215461e+02 2.812100219e+02 1.48 1.242565763e+02 1.867465801e+02 2.597062427e+02 1.50 1.127531403e+02 1.718276632e+02 2.397108609e+02 1.52 1.021933999e+02 1.579856774e+02 2.211230144e+02 1.54 9.250382325e+01 1.451467388e+02 2.038483536e+02 1.56 8.361643129e+01 1.332418599e+02 1.877986322e+02 1.58 7.546838799e+01 1.222066342e+02 1.728913245e+02 1.60 6.800162060e+01 1.119809403e+02 1.590492651e+02 1.62 6.116246728e+01 1.025086648e+02 1.462003110e+02 1.64 5.490135027e+01 9.373744242e+01 1.342770249e+02 1.66 4.917247284e+01 8.561841299e+01 1.232163772e+02 1.68 4.393353819e+01 7.810599340e+01 1.129594668e+02 1.70 3.914548893e+01 7.115766436e+01 1.034512591e+02 1.72 3.477226539e+01 6.473377051e+01 9.464034014e+01 1.74 3.078058173e+01 5.879733332e+01 8.647868600e+01 1.76 2.713971827e+01 5.331387587e+01 7.892144629e+01 1.78 2.382132918e+01 4.825125888e+01 7.192674133e+01 1.80 2.079926410e+01 4.357952712e+01 6.545547181e+01 1.82 1.804940301e+01 3.927076571e+01 5.947114031e+01 1.84 1.554950311e+01 3.529896562e+01 5.393968399e+01 1.86 1.327905711e+01 3.163989779e+01 4.882931769e+01 1.88 1.121916181e+01 2.827099533e+01 4.411038685e+01 1.90 9.352396568e+00 2.517124337e+01 3.975522972e+01 1.92 7.662710608e+00 2.232107589e+01 3.573804808e+01 1.94 6.135318771e+00 1.970227934e+01 3.203478628e+01 1.96 4.756604963e+00 1.729790243e+01 2.862301769e+01 1.98 3.514032805e+00 1.509217176e+01 2.548183852e+01 2.00 2.396062917e+00 1.307041296e+01 2.259176820e+01 2.02 1.392076389e+00 1.121897691e+01 1.993465614e+01 2.04 4.923039650e-01 9.525170817e+00 1.749359441e+01 2.06 -3.122394710e-01 7.977193762e+00 1.525283596e+01 2.08 -1.029815495e+00 6.564076451e+00 1.319771802e+01 2.10 -1.668018188e+00 5.275624918e+00 1.131459044e+01 2.12 -2.233825965e+00 4.102367933e+00 9.590748563e+00 2.14 -2.733649490e+00 3.035507847e+00 8.014370456e+00 2.16 -3.173375979e+00 2.066874680e+00 6.574458105e+00 2.18 -3.558410138e+00 1.188883241e+00 5.260782438e+00 2.20 -3.893712005e+00 3.944930751e-01 4.063831872e+00 2.22 -4.183831909e+00 -3.228289365e-01 2.974764187e+00 2.24 -4.432942772e+00 -9.691434928e-01 1.985361514e+00 2.26 -4.644869940e+00 -1.550071471e+00 1.087988243e+00 2.28 -4.823118736e+00 -2.070824352e+00 2.755516640e-01 2.30 -4.970899903e+00 -2.536232621e+00 -4.585348294e-01 2.32 -5.091153082e+00 -2.950772255e+00 -1.120386131e+00 2.34 -5.186568502e+00 -3.318589454e+00 -1.715677567e+00 2.36 -5.259606973e+00 -3.643523696e+00 -2.249674933e+00 2.38 -5.312518355e+00 -3.929129247e+00 -2.727262560e+00 2.40 -5.347358577e+00 -4.178695220e+00 -3.152969524e+00 2.42 -5.366005347e+00 -4.395264276e+00 -3.530994137e+00 2.44 -5.370172630e+00 -4.581650060e+00 -3.865226811e+00 2.46 -5.361423999e+00 -4.740453449e+00 -4.159271404e+00 2.48 -5.341184943e+00 -4.874077699e+00 -4.416465153e+00 2.50 -5.310754202e+00 -4.984742556e+00 -4.639897275e+00 2.52 -5.271314217e+00 -5.074497399e+00 -4.832426325e+00 2.54 -5.223940755e+00 -5.145233488e+00 -4.996696392e+00 2.56 -5.169611797e+00 -5.198695363e+00 -5.135152210e+00 2.58 -5.109215992e+00 -5.236491464e+00 -5.250053247e+00 2.60 -5.043559332e+00 -5.260104012e+00 -5.343486850e+00 2.62 -4.973371821e+00 -5.270898208e+00 -5.417380488e+00 2.64 -4.899316176e+00 -5.270130794e+00 -5.473513181e+00 2.66 -4.821991398e+00 -5.258958015e+00 -5.513526137e+00 2.68 -4.741938836e+00 -5.238443025e+00 -5.538932668e+00 2.70 -4.659647122e+00 -5.209562777e+00 -5.551127433e+00 2.72 -4.575556719e+00 -5.173214428e+00 -5.551395036e+00 2.74 -4.490064088e+00 -5.130221290e+00 -5.540918038e+00 2.76 -4.403525522e+00 -5.081338364e+00 -5.520784419e+00 2.78 -4.316260665e+00 -5.027257480e+00 -5.491994518e+00 2.80 -4.228555738e+00 -4.968612072e+00 -5.455467490e+00 2.82 -4.140666505e+00 -4.905981614e+00 -5.412047319e+00 2.84 -4.052820986e+00 -4.839895734e+00 -5.362508405e+00 2.86 -3.965221955e+00 -4.770838037e+00 -5.307560761e+00 2.88 -3.878049216e+00 -4.699249652e+00 -5.247854847e+00 2.90 -3.791461702e+00 -4.625532523e+00 -5.183986059e+00 2.92 -3.705599387e+00 -4.550052456e+00 -5.116498899e+00 2.94 -3.620585042e+00 -4.473141954e+00 -5.045890854e+00 2.96 -3.536525841e+00 -4.395102835e+00 -4.972615992e+00 2.98 -3.453514828e+00 -4.316208664e+00 -4.897088306e+00 3.00 -3.371632263e+00 -4.236707007e+00 -4.819684814e+00 3.02 -3.290946844e+00 -4.156821511e+00 -4.740748435e+00 3.04 -3.211516833e+00 -4.076753839e+00 -4.660590659e+00 3.06 -3.133391076e+00 -3.996685453e+00 -4.579494023e+00 3.08 -3.056609939e+00 -3.916779272e+00 -4.497714401e+00 3.10 -2.981206160e+00 -3.837181193e+00 -4.415483137e+00 3.12 -2.907205624e+00 -3.758021513e+00 -4.333010022e+00 3.14 -2.834628071e+00 -3.679416230e+00 -4.250593954e+00 3.16 -2.763487741e+00 -3.601468252e+00 -4.168887948e+00 3.18 -2.693793959e+00 -3.524268509e+00 -4.087886805e+00 3.20 -2.625551668e+00 -3.447896987e+00 -4.006103545e+00 3.22 -2.558761913e+00 -3.372423671e+00 -3.924820967e+00 3.24 -2.493422281e+00 -3.297909425e+00 -3.844169247e+00 3.26 -2.429527301e+00 -3.224406800e+00 -3.764243260e+00 3.28 -2.367068801e+00 -3.151960774e+00 -3.685126607e+00 3.30 -2.306036242e+00 -3.080609441e+00 -3.606892586e+00 3.32 -2.246417010e+00 -3.010384638e+00 -3.529605092e+00 3.34 -2.188196682e+00 -2.941312530e+00 -3.453319442e+00 3.36 -2.131359275e+00 -2.873414141e+00 -3.378083140e+00 3.38 -2.075887455e+00 -2.806705844e+00 -3.303936584e+00 3.40 -2.021762742e+00 -2.741199813e+00 -3.230913708e+00 3.42 -1.968965681e+00 -2.676904437e+00 -3.159042582e+00 3.44 -1.917476003e+00 -2.613824700e+00 -3.088345962e+00 3.46 -1.867272767e+00 -2.551962527e+00 -3.018841789e+00 3.48 -1.818334489e+00 -2.491317104e+00 -2.950543659e+00 3.50 -1.770639256e+00 -2.431885169e+00 -2.883461246e+00 3.52 -1.724164825e+00 -2.373661283e+00 -2.817600691e+00 3.54 -1.678888718e+00 -2.316638068e+00 -2.752964962e+00 3.56 -1.634788298e+00 -2.260806434e+00 -2.689554185e+00 3.58 -1.591840845e+00 -2.206155784e+00 -2.627365937e+00 3.60 -1.550007915e+00 -2.152674192e+00 -2.566395532e+00 3.62 -1.506685686e+00 -2.100348582e+00 -2.506636263e+00 3.64 -1.453883106e+00 -2.049164873e+00 -2.448079638e+00 3.66 -1.430198508e+00 -1.999108126e+00 -2.390715586e+00 3.68 -1.429085579e+00 -1.950162663e+00 -2.334532651e+00 3.70 -1.400646928e+00 -1.902312188e+00 -2.279518165e+00 3.72 -1.372878668e+00 -1.855539891e+00 -2.225658409e+00 3.74 -1.345758654e+00 -1.809828537e+00 -2.172938751e+00 3.76 -1.319265125e+00 -1.765160555e+00 -2.121343784e+00 3.78 -1.293376742e+00 -1.721518113e+00 -2.070857442e+00 3.80 -1.268072608e+00 -1.678883189e+00 -2.021463106e+00 3.82 -1.243332296e+00 -1.637217051e+00 -1.973143702e+00 3.84 -1.219135874e+00 -1.594694564e+00 -1.925881791e+00 3.86 -1.195463926e+00 -1.542693972e+00 -1.879659646e+00 3.88 -1.172297576e+00 -1.469930603e+00 -1.834459321e+00 3.90 -1.149618505e+00 -1.404807530e+00 -1.790262720e+00 3.92 -1.127408976e+00 -1.369652355e+00 -1.747051650e+00 3.94 -1.105645586e+00 -1.335348363e+00 -1.704807875e+00 3.96 -1.078999879e+00 -1.301877591e+00 -1.663513158e+00 3.98 -1.005250760e+00 -1.269222284e+00 -1.623149306e+00 4.00 -7.723878855e-01 -1.237364921e+00 -1.583698202e+00 4.02 -3.053234315e-01 -1.206288223e+00 -1.545141839e+00 4.04 -2.586023596e-01 -1.175975173e+00 -1.507462346e+00 4.06 -2.515688735e-01 -1.146409017e+00 -1.470642016e+00 4.08 -2.447219284e-01 -1.117573282e+00 -1.434663321e+00 4.10 -2.380564411e-01 -1.089451778e+00 -1.399508938e+00 4.12 -2.315674782e-01 -1.062028604e+00 -1.365161759e+00 4.14 -2.252502512e-01 -1.035288152e+00 -1.331604904e+00 4.16 -2.191001134e-01 -1.009215112e+00 -1.298821738e+00 4.18 -2.131125549e-01 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