# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2019--Chen-Y-Fang-J-Liu-L-et-al--W-Re # implementation = 2019--Chen-Y--W-Re--LAMMPS--ipr1 # composition = Re3W # 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 2022-12-14 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 4.097441007e+03 nan nan 0.88 3.667987727e+03 nan nan 0.90 3.281017378e+03 nan nan 0.92 2.919192019e+03 nan nan 0.94 2.599980340e+03 nan nan 0.96 2.318343973e+03 3.636679416e+03 nan 0.98 2.069535907e+03 3.290789853e+03 3.813165420e+03 1.00 1.849277721e+03 2.982200959e+03 3.474698380e+03 1.02 1.648220287e+03 2.673696326e+03 3.121718030e+03 1.04 1.469859719e+03 2.398881987e+03 2.806100483e+03 1.06 1.311541925e+03 2.154285074e+03 2.523815299e+03 1.08 1.171169254e+03 1.935735426e+03 2.271230543e+03 1.10 1.046441719e+03 1.740208823e+03 2.045041687e+03 1.12 9.355038564e+02 1.565228386e+03 1.842356229e+03 1.14 8.368521001e+02 1.408599724e+03 1.660735599e+03 1.16 7.490552747e+02 1.268320808e+03 1.498214100e+03 1.18 6.708964692e+02 1.142577501e+03 1.352816918e+03 1.20 6.011989852e+02 1.029794635e+03 1.222128483e+03 1.22 5.389922641e+02 9.285997638e+02 1.104560537e+03 1.24 4.834467976e+02 8.380999891e+02 9.987421778e+02 1.26 4.338297861e+02 7.567989117e+02 9.034895102e+02 1.28 3.894872611e+02 6.836511530e+02 8.177358889e+02 1.30 3.498299766e+02 6.178344326e+02 7.405227166e+02 1.32 3.143503244e+02 5.586229000e+02 6.709728026e+02 1.34 2.825937245e+02 5.053806815e+02 6.082529561e+02 1.36 2.541462679e+02 4.574990796e+02 5.516105619e+02 1.38 2.286457355e+02 4.143829380e+02 5.004137809e+02 1.40 2.057890845e+02 3.754843227e+02 4.541201328e+02 1.42 1.853025246e+02 3.403257802e+02 4.123089643e+02 1.44 1.669147587e+02 3.085022454e+02 3.745951392e+02 1.46 1.503565962e+02 2.796735394e+02 3.404494511e+02 1.48 1.354088479e+02 2.535392279e+02 3.095686946e+02 1.50 1.218982738e+02 2.298342397e+02 2.816384736e+02 1.52 1.096773732e+02 2.083296141e+02 2.563332243e+02 1.54 9.860943707e+01 1.888220131e+02 2.333553648e+02 1.56 8.859175437e+01 1.711281599e+02 2.124495988e+02 1.58 7.952183019e+01 1.550849891e+02 1.933937309e+02 1.60 7.130901252e+01 1.405504925e+02 1.760024488e+02 1.62 6.386757056e+01 1.273875523e+02 1.601219273e+02 1.64 5.718466281e+01 1.154543487e+02 1.456129741e+02 1.66 5.120213174e+01 1.046162112e+02 1.323472353e+02 1.68 4.573792275e+01 9.475608017e+01 1.202084868e+02 1.70 4.075056381e+01 8.579824363e+01 1.090895361e+02 1.72 3.620241904e+01 7.766513063e+01 9.889445822e+01 1.74 3.205988761e+01 7.032297237e+01 8.955725786e+01 1.76 2.829217119e+01 6.368979878e+01 8.102054001e+01 1.78 2.487003835e+01 5.762829219e+01 7.323136603e+01 1.80 2.179553630e+01 5.208617410e+01 6.613661473e+01 1.82 1.901701028e+01 4.701455243e+01 5.968709273e+01 1.84 1.648486848e+01 4.236866817e+01 5.383543230e+01 1.86 1.417941637e+01 3.811001570e+01 4.853174149e+01 1.88 1.208183437e+01 3.420771894e+01 4.372095598e+01 1.90 1.017498066e+01 3.063371883e+01 3.935074493e+01 1.92 8.443549199e+00 2.736160763e+01 3.537423672e+01 1.94 6.872755534e+00 2.436698442e+01 3.175255931e+01 1.96 5.447760625e+00 2.162723716e+01 2.845497988e+01 1.98 4.154373773e+00 1.912136116e+01 2.545350451e+01 2.00 2.981156502e+00 1.682966170e+01 2.272212764e+01 2.02 1.948780679e+00 1.484442372e+01 2.040325380e+01 2.04 1.004930236e+00 1.299392756e+01 1.824283390e+01 2.06 1.413297417e-01 1.126804150e+01 1.622926636e+01 2.08 -6.506460092e-01 9.657397201e+00 1.435290884e+01 2.10 -1.378954678e+00 8.152755012e+00 1.260411014e+01 2.12 -2.049517223e+00 6.747424060e+00 1.097379942e+01 2.14 -2.667424392e+00 5.437284591e+00 9.454602172e+00 2.16 -3.239154630e+00 4.220465707e+00 8.040452345e+00 2.18 -3.771122082e+00 3.094912001e+00 6.725550055e+00 2.20 -4.269061744e+00 2.058509802e+00 5.503912200e+00 2.22 -4.735274717e+00 1.109308096e+00 4.369196544e+00 2.24 -5.167290885e+00 2.417168294e-01 3.314757708e+00 2.26 -5.560564461e+00 -5.517604451e-01 2.334097507e+00 2.28 -5.908894205e+00 -1.279032144e+00 1.420967341e+00 2.30 -6.208805685e+00 -1.948428558e+00 5.693034367e-01 2.32 -6.465182134e+00 -2.567097684e+00 -2.269310315e-01 2.34 -6.684251887e+00 -3.141213203e+00 -9.728524875e-01 2.36 -6.872123836e+00 -3.675878779e+00 -1.671947948e+00 2.38 -7.034689790e+00 -4.174415791e+00 -2.326870603e+00 2.40 -7.175491937e+00 -4.639211731e+00 -2.940464137e+00 2.42 -7.296896757e+00 -5.072074965e+00 -3.516137847e+00 2.44 -7.401137975e+00 -5.474595487e+00 -4.056711472e+00 2.46 -7.490324658e+00 -5.848375758e+00 -4.564104388e+00 2.48 -7.565624771e+00 -6.193318803e+00 -5.037727857e+00 2.50 -7.627142475e+00 -6.507963119e+00 -5.475267656e+00 2.52 -7.674996865e+00 -6.790566123e+00 -5.873985731e+00 2.54 -7.709246903e+00 -7.038942913e+00 -6.230107867e+00 2.56 -7.729888505e+00 -7.251268919e+00 -6.540089793e+00 2.58 -7.736921007e+00 -7.428974190e+00 -6.805694286e+00 2.60 -7.730452921e+00 -7.575296354e+00 -7.031548358e+00 2.62 -7.710704057e+00 -7.693444892e+00 -7.222427361e+00 2.64 -7.678125666e+00 -7.787017373e+00 -7.383974001e+00 2.66 -7.633055629e+00 -7.859493011e+00 -7.521671732e+00 2.68 -7.575696358e+00 -7.913045428e+00 -7.639019211e+00 2.70 -7.506219635e+00 -7.949298067e+00 -7.738599464e+00 2.72 -7.424747538e+00 -7.969704253e+00 -7.822627856e+00 2.74 -7.331318761e+00 -7.975404301e+00 -7.892282647e+00 2.76 -7.226047027e+00 -7.967595897e+00 -7.948312724e+00 2.78 -7.109139665e+00 -7.947150060e+00 -7.990895762e+00 2.80 -6.980786076e+00 -7.914775207e+00 -8.020118979e+00 2.82 -6.841226527e+00 -7.871231657e+00 -8.036284831e+00 2.84 -6.691349517e+00 -7.817401672e+00 -8.039915074e+00 2.86 -6.532316451e+00 -7.754045251e+00 -8.031553145e+00 2.88 -6.365429911e+00 -7.681892435e+00 -8.011739749e+00 2.90 -6.191943445e+00 -7.601653902e+00 -7.981016162e+00 2.92 -6.013044395e+00 -7.513902991e+00 -7.939956624e+00 2.94 -5.829819099e+00 -7.419169058e+00 -7.889256810e+00 2.96 -5.643296282e+00 -7.317966766e+00 -7.829596524e+00 2.98 -5.454600352e+00 -7.210802011e+00 -7.761560874e+00 3.00 -5.264786141e+00 -7.098212164e+00 -7.685732920e+00 3.02 -5.074625576e+00 -6.980693976e+00 -7.602586535e+00 3.04 -4.884744789e+00 -6.858549853e+00 -7.512186491e+00 3.06 -4.695749127e+00 -6.732001690e+00 -7.414520800e+00 3.08 -4.508279876e+00 -6.601215340e+00 -7.309612391e+00 3.10 -4.323011349e+00 -6.466314751e+00 -7.197523721e+00 3.12 -4.140619274e+00 -6.327423987e+00 -7.078331859e+00 3.14 -3.961732087e+00 -6.184617381e+00 -6.952045394e+00 3.16 -3.786895885e+00 -6.038169872e+00 -6.818876387e+00 3.18 -3.616545900e+00 -5.888579683e+00 -6.679409291e+00 3.20 -3.450981733e+00 -5.736388097e+00 -6.534306940e+00 3.22 -3.290470834e+00 -5.582194702e+00 -6.384284420e+00 3.24 -3.135240228e+00 -5.426565212e+00 -6.230002311e+00 3.26 -2.985466651e+00 -5.270054684e+00 -6.072125112e+00 3.28 -2.841213878e+00 -5.113190635e+00 -5.911289826e+00 3.30 -2.702441864e+00 -4.956446443e+00 -5.748059520e+00 3.32 -2.569047367e+00 -4.800291341e+00 -5.582994643e+00 3.34 -2.440894840e+00 -4.645151307e+00 -5.416652295e+00 3.36 -2.317827884e+00 -4.491318595e+00 -5.249447361e+00 3.38 -2.199914086e+00 -4.338983814e+00 -5.081674010e+00 3.40 -2.087432709e+00 -4.188314721e+00 -4.913628993e+00 3.42 -1.980738306e+00 -4.039450555e+00 -4.745631831e+00 3.44 -1.880269692e+00 -3.892518298e+00 -4.578064867e+00 3.46 -1.786137483e+00 -3.747633793e+00 -4.411343323e+00 3.48 -1.700645274e+00 -3.604889215e+00 -4.245897529e+00 3.50 -1.625216006e+00 -3.464443804e+00 -4.082210538e+00 3.52 -1.552927417e+00 -3.326460652e+00 -3.920747606e+00 3.54 -1.485596128e+00 -3.191009381e+00 -3.761869373e+00 3.56 -1.424767842e+00 -3.058068620e+00 -3.605826550e+00 3.58 -1.368832816e+00 -2.927659883e+00 -3.452828780e+00 3.60 -1.314868814e+00 -2.799943587e+00 -3.303092512e+00 3.62 -1.262453752e+00 -2.675117747e+00 -3.156854734e+00 3.64 -1.211743300e+00 -2.553416363e+00 -3.014409916e+00 3.66 -1.162923657e+00 -2.435034940e+00 -2.876021579e+00 3.68 -1.116211436e+00 -2.320133667e+00 -2.741938970e+00 3.70 -1.071778749e+00 -2.208880601e+00 -2.612416754e+00 3.72 -1.029709584e+00 -2.101458601e+00 -2.487714680e+00 3.74 -9.900758462e-01 -1.998067078e+00 -2.368097063e+00 3.76 -9.529333048e-01 -1.898920759e+00 -2.253824973e+00 3.78 -9.183064099e-01 -1.804253249e+00 -2.145168439e+00 3.80 -8.861986186e-01 -1.714326721e+00 -2.042414568e+00 3.82 -8.565850486e-01 -1.629422680e+00 -1.945869239e+00 3.84 -8.293903262e-01 -1.549473837e+00 -1.855820471e+00 3.86 -8.044972650e-01 -1.476275262e+00 -1.772506498e+00 3.88 -7.817600258e-01 -1.411982381e+00 -1.695917685e+00 3.90 -7.609925200e-01 -1.349712740e+00 -1.629947425e+00 3.92 -7.419814749e-01 -1.289478723e+00 -1.570329032e+00 3.94 -7.244727392e-01 -1.234780084e+00 -1.514226744e+00 3.96 -7.081994050e-01 -1.187870510e+00 -1.463461776e+00 3.98 -6.928832662e-01 -1.147818060e+00 -1.418646502e+00 4.00 -6.782145001e-01 -1.112345966e+00 -1.378282226e+00 4.02 -6.638727265e-01 -1.079135779e+00 -1.339826062e+00 4.04 -6.496918030e-01 -1.047482913e+00 -1.302468905e+00 4.06 -6.355401305e-01 -1.017087374e+00 -1.265900195e+00 4.08 -6.212700681e-01 -9.876181460e-01 -1.229774177e+00 4.10 -6.067139395e-01 -9.587061814e-01 -1.193706986e+00 4.12 -5.916924123e-01 -9.300044746e-01 -1.157345862e+00 4.14 -5.761925190e-01 -9.013926624e-01 -1.120637584e+00 4.16 -5.602464277e-01 -8.728418735e-01 -1.083651104e+00 4.18 -5.438927848e-01 -8.443174720e-01 -1.046455954e+00 4.20 -5.271361813e-01 -8.157906604e-01 -1.009117470e+00 4.22 -5.095687791e-01 -7.872083668e-01 -9.716775436e-01 4.24 -4.914300575e-01 -7.584761639e-01 -9.341333096e-01 4.26 -4.731361992e-01 -7.295042830e-01 -8.964720935e-01 4.28 -4.550720023e-01 -7.002478703e-01 -8.586825931e-01 4.30 -4.375843681e-01 -6.707147803e-01 -8.207568611e-01 4.32 -4.213004059e-01 -6.409191928e-01 -7.826924860e-01 4.34 -4.059919188e-01 -6.108332857e-01 -7.444923110e-01 4.36 -3.900838101e-01 -5.805221336e-01 -7.061686219e-01 4.38 -3.723289525e-01 -5.499096191e-01 -6.677512714e-01 4.40 -3.518510048e-01 -5.185946245e-01 -6.292724542e-01 4.42 -3.281515722e-01 -4.875345208e-01 -5.908006627e-01 4.44 -3.010893523e-01 -4.576563980e-01 -5.524544859e-01 4.46 -2.707285944e-01 -4.300128461e-01 -5.143505939e-01 4.48 -2.386254970e-01 -4.029578211e-01 -4.767717661e-01 4.50 -2.065734107e-01 -3.737751416e-01 -4.391076931e-01 4.52 -1.759293447e-01 -3.418986248e-01 -4.026959227e-01 4.54 -1.474695864e-01 -3.081552199e-01 -3.706998930e-01 4.56 -1.216085157e-01 -2.731592277e-01 -3.439307184e-01 4.58 -9.853442942e-02 -2.365988967e-01 -3.146672558e-01 4.60 -7.827597817e-02 -1.988826850e-01 -2.783167611e-01 4.62 -6.075352473e-02 -1.608537314e-01 -2.340676401e-01 4.64 -4.581802644e-02 -1.241777249e-01 -1.851084825e-01 4.66 -3.327920260e-02 -9.110226232e-02 -1.377772901e-01 4.68 -2.292459646e-02 -6.273415535e-02 -9.569437167e-02 4.70 -1.453443575e-02 -3.936626287e-02 -6.038490574e-02 4.72 -7.890836025e-03 -2.081035245e-02 -3.211507981e-02 4.74 -2.782755077e-03 -6.624805931e-03 -1.045590036e-02 4.76 9.917908304e-04 3.741637043e-03 5.353465509e-03 4.78 3.625389929e-03 1.086665170e-02 1.618946084e-02 4.80 5.302088447e-03 1.531212334e-02 2.292929921e-02 4.82 6.198239340e-03 1.760607618e-02 2.639859128e-02 4.84 6.482283295e-03 1.823617188e-02 2.735234940e-02 4.86 6.318433777e-03 1.766291841e-02 2.649420846e-02 4.88 5.868805872e-03 1.633083500e-02 2.449624985e-02 4.90 5.294525448e-03 1.467661725e-02 2.201492588e-02 4.92 4.729549844e-03 1.306204139e-02 1.959306209e-02 4.94 4.200344134e-03 1.155776811e-02 1.733665217e-02 4.96 3.706508507e-03 1.016162245e-02 1.524243367e-02 4.98 3.247643151e-03 8.871429452e-03 1.330714418e-02 5.00 2.823348257e-03 7.685014177e-03 1.152752127e-02 5.02 2.433224014e-03 6.600201670e-03 9.900302506e-03 5.04 2.076870613e-03 5.614816983e-03 8.422225475e-03 5.06 1.753888243e-03 4.726685164e-03 7.090027747e-03 5.08 1.463877094e-03 3.933631265e-03 5.900446897e-03 5.10 1.206437356e-03 3.233480335e-03 4.850220503e-03 5.12 9.808783995e-04 2.623281906e-03 3.934922858e-03 5.14 7.853462883e-04 2.096983358e-03 3.145475037e-03 5.16 6.176962491e-04 1.647756506e-03 2.471634759e-03 5.18 4.757835086e-04 1.268773165e-03 1.903159748e-03 5.20 3.574632940e-04 9.532354508e-04 1.429853176e-03 5.22 2.605908322e-04 6.949088859e-04 1.042363329e-03 5.24 1.830213501e-04 4.880569336e-04 7.320854004e-04 5.26 1.226100747e-04 3.269601993e-04 4.904402989e-04 5.28 7.721223302e-05 2.058992881e-04 3.088489321e-04 5.30 4.468305195e-05 1.191548052e-04 1.787322078e-04 5.32 2.287775849e-05 6.100735597e-05 9.151103396e-05 5.34 9.651579599e-06 2.573754560e-05 3.860631840e-05 5.36 2.859742243e-06 7.625979315e-06 1.143896897e-05 5.38 3.574733884e-07 9.532623690e-07 1.429893554e-06 5.40 4.226041820e-12 9.897742114e-12 1.760850759e-11 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 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