# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1998--Devanathan-R-Diaz-de-la-Rubia-T-Weber-W-J--Si-C # implementation = 1998--Devanathan-R--Si-C--LAMMPS--ipr1 # composition = C # 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 A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan 1.095793049e+03 nan nan 1.272781900e+03 nan 0.52 nan nan nan nan nan 9.667239519e+02 nan nan 1.101317788e+03 nan 0.54 nan 1.386129020e+03 nan nan nan 8.558485932e+02 1.387792853e+03 nan 9.595925821e+02 1.357523458e+03 0.56 nan 1.211290436e+03 nan nan nan 7.587699433e+02 1.206972079e+03 nan 8.407787078e+02 1.187401650e+03 0.58 nan 1.058811853e+03 1.456236418e+03 nan nan 6.743806210e+02 1.057674510e+03 1.505762105e+03 7.412451889e+02 1.046400249e+03 0.60 1.432958585e+03 9.263713330e+02 1.285491015e+03 1.430745104e+03 1.432028879e+03 6.006647910e+02 9.339529010e+02 1.333693520e+03 6.575770958e+02 9.247911370e+02 0.62 1.271274702e+03 8.106056535e+02 1.141571861e+03 1.267829927e+03 1.266361337e+03 5.356225670e+02 8.289575714e+02 1.179789933e+03 5.874642273e+02 8.190735022e+02 0.64 1.126271266e+03 7.116385987e+02 1.011811461e+03 1.124517520e+03 1.121461048e+03 4.755899085e+02 7.358949181e+02 1.044319969e+03 5.269100814e+02 7.287404775e+02 0.66 9.996330245e+02 6.264314107e+02 8.934362882e+02 9.994745752e+02 9.967302716e+02 4.175427064e+02 6.538887411e+02 9.275672655e+02 4.742765682e+02 6.518570735e+02 0.68 8.917855235e+02 5.539710678e+02 7.886045526e+02 8.918748314e+02 8.909950708e+02 3.626090080e+02 5.837232236e+02 8.259227383e+02 4.272030778e+02 5.871039804e+02 0.70 7.962656721e+02 4.916545719e+02 7.006678095e+02 7.960878462e+02 7.970929280e+02 3.147135634e+02 5.246275997e+02 7.334823721e+02 3.830093394e+02 5.324560088e+02 0.72 7.081189817e+02 4.388671643e+02 6.254099335e+02 7.088672073e+02 7.109793415e+02 2.748575482e+02 4.750277020e+02 6.501379116e+02 3.419058724e+02 4.851995840e+02 0.74 6.287058323e+02 3.963640141e+02 5.579495318e+02 6.306966673e+02 6.330271572e+02 2.414307104e+02 4.318877891e+02 5.772128713e+02 3.046874158e+02 4.425486862e+02 0.76 5.597569551e+02 3.637885794e+02 4.987445838e+02 5.620620951e+02 5.639894210e+02 2.130841507e+02 3.932059783e+02 5.161775651e+02 2.713854937e+02 4.012049649e+02 0.78 5.025035361e+02 3.389376588e+02 4.480912331e+02 5.038723359e+02 5.045582303e+02 1.879067789e+02 3.588219621e+02 4.667078462e+02 2.421970481e+02 3.609216309e+02 0.80 4.574227707e+02 3.171660388e+02 4.066434557e+02 4.564024519e+02 4.552360694e+02 1.659505206e+02 3.282479715e+02 4.257110583e+02 2.165476360e+02 3.237763443e+02 0.82 4.189815798e+02 2.953831446e+02 3.744101983e+02 4.164203702e+02 4.140662544e+02 1.473381968e+02 3.010036078e+02 3.900122042e+02 1.935234699e+02 2.903075741e+02 0.84 3.839947243e+02 2.734463290e+02 3.490245781e+02 3.813865259e+02 3.788593685e+02 1.323696586e+02 2.761437678e+02 3.586237128e+02 1.725383050e+02 2.596961245e+02 0.86 3.533167478e+02 2.520577218e+02 3.272700229e+02 3.513517004e+02 3.493866206e+02 1.198973795e+02 2.522355680e+02 3.316358288e+02 1.541464277e+02 2.333640423e+02 0.88 3.269674673e+02 2.320068220e+02 3.080179467e+02 3.261083187e+02 3.252491535e+02 1.094661334e+02 2.290661368e+02 3.087811736e+02 1.385715156e+02 2.104867418e+02 0.90 3.048254690e+02 2.141695308e+02 2.909363353e+02 3.051648115e+02 3.055041118e+02 1.009876479e+02 2.069226791e+02 2.892346491e+02 1.253080337e+02 1.905771524e+02 0.92 2.861298796e+02 1.983766904e+02 2.751031100e+02 2.873871390e+02 2.886443085e+02 9.413878394e+01 1.866514173e+02 2.718882763e+02 1.140235284e+02 1.738248199e+02 0.94 2.701691692e+02 1.834761211e+02 2.594608274e+02 2.720466171e+02 2.739239463e+02 8.810846875e+01 1.683531494e+02 2.563452788e+02 1.044057009e+02 1.604771685e+02 0.96 2.555267937e+02 1.689144842e+02 2.427530034e+02 2.575919793e+02 2.596570530e+02 8.202983747e+01 1.523464876e+02 2.415486614e+02 9.591998319e+01 1.490328485e+02 0.98 2.410231741e+02 1.542147377e+02 2.243604836e+02 2.428301576e+02 2.446370675e+02 7.540063179e+01 1.385663800e+02 2.270292558e+02 8.777610710e+01 1.380068731e+02 1.00 2.267559846e+02 1.391593134e+02 2.051583913e+02 2.279471629e+02 2.291383359e+02 6.843831145e+01 1.266773016e+02 2.130199392e+02 7.990875798e+01 1.274921439e+02 1.02 2.129618464e+02 1.240170392e+02 1.859529129e+02 2.132698534e+02 2.135779420e+02 6.137726757e+01 1.162002259e+02 1.993351252e+02 7.228400326e+01 1.176528264e+02 1.04 1.999294292e+02 1.091462461e+02 1.675936767e+02 1.992050091e+02 1.984807532e+02 5.449021540e+01 1.062086611e+02 1.853106996e+02 6.490008211e+01 1.086597840e+02 1.06 1.865239586e+02 9.495221476e+01 1.510497245e+02 1.849641341e+02 1.834045193e+02 4.813954169e+01 9.690278707e+01 1.699903540e+02 5.795494448e+01 1.000934467e+02 1.08 1.714562055e+02 8.139770565e+01 1.368176386e+02 1.696593774e+02 1.678627699e+02 4.277752451e+01 8.845312392e+01 1.537500346e+02 5.163297201e+01 9.125263243e+01 1.10 1.553813148e+02 6.909844698e+01 1.256481505e+02 1.539801876e+02 1.525792480e+02 3.875426631e+01 8.085493986e+01 1.372631550e+02 4.599281978e+01 8.232960109e+01 1.12 1.389938138e+02 5.900163768e+01 1.154657783e+02 1.382164147e+02 1.374391485e+02 3.502281920e+01 7.354071492e+01 1.211531898e+02 4.078475052e+01 7.359639903e+01 1.14 1.228755910e+02 5.110117725e+01 1.047778290e+02 1.226815833e+02 1.224876618e+02 3.078164157e+01 6.640725400e+01 1.060692410e+02 3.576113677e+01 6.531006651e+01 1.16 1.076087405e+02 4.450304305e+01 9.390862171e+01 1.079375320e+02 1.082663974e+02 2.621706784e+01 5.956736448e+01 9.286397811e+01 3.106132003e+01 5.771613162e+01 1.18 9.398201178e+01 3.915409085e+01 8.314721219e+01 9.469684053e+01 9.541177299e+01 2.143320660e+01 5.312019555e+01 8.223036988e+01 2.677352591e+01 5.104067185e+01 1.20 8.304759807e+01 3.450211755e+01 7.275017678e+01 8.386150690e+01 8.467554274e+01 1.641991806e+01 4.715056644e+01 7.409126489e+01 2.279947225e+01 4.544978162e+01 1.22 7.538560557e+01 3.051521913e+01 6.298323623e+01 7.593513519e+01 7.648475324e+01 1.107553314e+01 4.172939001e+01 6.741118328e+01 1.909879286e+01 4.093336517e+01 1.24 6.881993038e+01 2.694413388e+01 5.417615388e+01 6.908985020e+01 6.935981400e+01 5.374486687e+00 3.685155883e+01 6.106888247e+01 1.551765042e+01 3.691370393e+01 1.26 6.273060302e+01 2.370298439e+01 4.673351418e+01 6.281534777e+01 6.290010652e+01 -1.375315652e-01 3.221215215e+01 5.509165231e+01 1.214932324e+01 3.322843833e+01 1.28 5.706768381e+01 2.076543169e+01 4.101776591e+01 5.707139671e+01 5.707511031e+01 -3.743953682e+00 2.785877339e+01 4.948444612e+01 9.107950520e+00 2.981542442e+01 1.30 5.150529937e+01 1.810661333e+01 3.678173454e+01 5.150474387e+01 5.150418837e+01 -4.582492411e+00 2.375242033e+01 4.406718681e+01 6.448763776e+00 2.624276644e+01 1.32 4.601947404e+01 1.570325073e+01 3.295726232e+01 4.601908479e+01 4.601869554e+01 -5.148315740e+00 1.981075298e+01 3.884677292e+01 3.914791344e+00 2.251419054e+01 1.34 4.068107706e+01 1.353367717e+01 2.945508491e+01 4.068090961e+01 4.068074216e+01 -5.632485016e+00 1.609889830e+01 3.389229114e+01 1.533327065e+00 1.874910236e+01 1.36 3.555590337e+01 1.157781373e+01 2.625170831e+01 3.555600460e+01 3.555610584e+01 -6.043467801e+00 1.268360355e+01 2.927255498e+01 -5.731867903e-01 1.502813562e+01 1.38 3.070921678e+01 9.817112463e+00 2.332475063e+01 3.070962193e+01 3.071002707e+01 -6.388805535e+00 9.651378593e+00 2.505746650e+01 -2.215569992e+00 1.139007851e+01 1.40 2.621225493e+01 8.234480348e+00 2.065307903e+01 2.621298084e+01 2.621370675e+01 -6.675235108e+00 7.117737379e+00 2.131527584e+01 -3.197225890e+00 7.846271622e+00 1.42 2.214670101e+01 6.814193208e+00 1.821686721e+01 2.214773593e+01 2.214877085e+01 -6.908793410e+00 5.203697003e+00 1.802405346e+01 -3.613830743e+00 4.426609172e+00 1.44 1.860102124e+01 5.541805635e+00 1.599760029e+01 1.860231401e+01 1.860360677e+01 -7.094906284e+00 3.955646126e+00 1.514993579e+01 -3.945831712e+00 1.268523817e+00 1.46 1.565332145e+01 4.404060849e+00 1.397804605e+01 1.565477713e+01 1.565623281e+01 -7.238463804e+00 2.923339754e+00 1.272618662e+01 -4.225489285e+00 -1.289275317e+00 1.48 1.334249828e+01 3.369476440e+00 1.214220548e+01 1.334398859e+01 1.334547891e+01 -7.343883894e+00 1.891782974e+00 1.076059249e+01 -4.466333572e+00 -2.773411834e+00 1.50 1.152643238e+01 2.336328948e+00 1.047525154e+01 1.152785973e+01 1.152928707e+01 -7.415166200e+00 8.747101171e-01 9.154211708e+00 -4.679902607e+00 -3.287853741e+00 1.52 9.885234549e+00 1.321823297e+00 8.963461874e+00 9.886597700e+00 9.887960852e+00 -7.455937888e+00 -1.196083467e-01 7.704709176e+00 -4.857266647e+00 -3.701383421e+00 1.54 8.393167080e+00 3.570507797e-01 7.594149540e+00 8.394468889e+00 8.395770698e+00 -7.469492791e+00 -1.085271311e+00 6.392065026e+00 -4.991493269e+00 -4.058432946e+00 1.56 7.038481109e+00 -5.349057741e-01 6.355334873e+00 7.039724311e+00 7.040967512e+00 -7.458825103e+00 -2.014643515e+00 5.205192842e+00 -5.079097313e+00 -4.364135369e+00 1.58 5.810287147e+00 -1.340525142e+00 5.157746419e+00 5.811474361e+00 5.812661576e+00 -7.426658586e+00 -2.893775327e+00 4.133840408e+00 -5.120566889e+00 -4.623206940e+00 1.60 4.698497682e+00 -2.055479251e+00 3.956490332e+00 4.699631418e+00 4.700765153e+00 -7.375472068e+00 -3.698482725e+00 3.168531008e+00 -5.120282847e+00 -4.839980926e+00 1.62 3.693772223e+00 -2.684975193e+00 2.777744387e+00 3.694854879e+00 3.695937535e+00 -7.307521885e+00 -4.393144453e+00 2.300508000e+00 -5.085827941e+00 -5.018438399e+00 1.64 2.787465195e+00 -3.229362429e+00 1.642212591e+00 2.788499066e+00 2.789532937e+00 -7.224861751e+00 -4.934941769e+00 1.521682800e+00 -5.026767003e+00 -5.162236305e+00 1.66 1.971576886e+00 -3.637698296e+00 5.651855527e-01 1.972564165e+00 1.973551444e+00 -7.129360482e+00 -5.285219538e+00 8.245862526e-01 -4.953090634e+00 -5.274733091e+00 1.68 1.238707455e+00 -3.861319916e+00 -4.422599309e-01 1.239650239e+00 1.240593022e+00 -7.022717885e+00 -5.425438293e+00 2.023232953e-01 -4.873641686e+00 -5.359012152e+00 1.70 5.820139587e-01 -3.878081532e+00 -1.370919577e+00 5.829142491e-01 5.838145396e-01 -6.906479080e+00 -5.451385197e+00 -3.514692262e-01 -4.794934843e+00 -5.417903315e+00 1.72 -4.829722564e-03 -3.715458929e+00 -2.210322965e+00 -3.970011705e-03 -3.110300844e-03 -6.782047475e+00 -5.454090113e+00 -8.426617694e-01 -4.718234753e+00 -5.454002568e+00 1.74 -5.276702019e-01 -3.468601121e+00 -2.945734192e+00 -5.268492429e-01 -5.260282839e-01 -6.650696550e+00 -5.430765962e+00 -1.276668508e+00 -4.636322875e+00 -5.469690191e+00 1.76 -9.919093038e-01 -3.173182697e+00 -3.556955840e+00 -9.911253509e-01 -9.903413979e-01 -6.513580608e+00 -5.380319076e+00 -1.678285343e+00 -4.549339341e+00 -5.467147457e+00 1.78 -1.402536343e+00 -2.845710362e+00 -4.020931801e+00 -1.401787728e+00 -1.401039114e+00 -6.371744603e+00 -5.302864243e+00 -2.096241457e+00 -4.458101441e+00 -5.448372017e+00 1.80 -1.764158122e+00 -2.507443288e+00 -4.319077777e+00 -1.763443254e+00 -1.762728386e+00 -6.226133140e+00 -5.199918905e+00 -2.506612604e+00 -4.363349733e+00 -5.415192105e+00 1.82 -2.130997624e+00 -2.172820352e+00 -4.445541978e+00 -2.130322009e+00 -2.129646393e+00 -6.011199790e+00 -5.043232499e+00 -2.892327342e+00 -4.222128513e+00 -5.338956851e+00 1.84 -2.525565463e+00 -1.858556398e+00 -4.472029213e+00 -2.524940309e+00 -2.524315154e+00 -5.670727768e+00 -4.801616458e+00 -3.224790366e+00 -3.996758483e+00 -5.187087004e+00 1.86 -2.903101274e+00 -1.598296529e+00 -4.441495343e+00 -2.902535727e+00 -2.901970180e+00 -5.223360640e+00 -4.476477908e+00 -3.463060390e+00 -3.698116229e+00 -4.956096681e+00 1.88 -3.219839858e+00 -1.421617145e+00 -4.336553263e+00 -3.219340947e+00 -3.218842036e+00 -4.691792407e+00 -4.074369270e+00 -3.573466073e+00 -3.339728934e+00 -4.644584911e+00 1.90 -3.436431709e+00 -1.273201116e+00 -4.143423437e+00 -3.436004269e+00 -3.435576828e+00 -4.101440672e+00 -3.607795215e+00 -3.532429428e+00 -2.937226680e+00 -4.254611165e+00 1.92 -3.520923843e+00 -1.108335167e+00 -3.854027449e+00 -3.520570382e+00 -3.520216920e+00 -3.479066838e+00 -3.095501199e+00 -3.329116360e+00 -2.507708525e+00 -3.792897751e+00 1.94 -3.451395037e+00 -9.329594316e-01 -3.467873036e+00 -3.451115534e+00 -3.450836031e+00 -2.851416572e+00 -2.562032606e+00 -2.968244615e+00 -2.069025771e+00 -3.271752498e+00 1.96 -3.218451766e+00 -7.539727938e-01 -2.993720888e+00 -3.218243368e+00 -3.218034970e+00 -2.243947311e+00 -2.036352662e+00 -2.473375722e+00 -1.638997336e+00 -2.709583973e+00 1.98 -2.827896922e+00 -5.789717101e-01 -2.450951446e+00 -2.827753579e+00 -2.827610235e+00 -1.679700156e+00 -1.549394555e+00 -1.890561412e+00 -1.234585748e+00 -2.130837615e+00 2.00 -2.303888157e+00 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