# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Chen-Y-Li-Y-H-Gao-N-et-al--W-Re # implementation = 2018--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 4.368836785e+03 nan nan 0.88 3.915984132e+03 nan nan 0.90 3.516385417e+03 nan nan 0.92 3.161804181e+03 nan nan 0.94 2.846280583e+03 nan nan 0.96 2.565310941e+03 3.912643621e+03 nan 0.98 2.314512824e+03 3.551498866e+03 4.069242054e+03 1.00 2.090117428e+03 3.228526740e+03 3.711179864e+03 1.02 1.883118805e+03 2.923038186e+03 3.365511830e+03 1.04 1.697374056e+03 2.648456153e+03 3.053920263e+03 1.06 1.530394547e+03 2.401644956e+03 2.772742235e+03 1.08 1.380497861e+03 2.179157255e+03 2.518643518e+03 1.10 1.245873622e+03 1.978410531e+03 2.288820637e+03 1.12 1.124784390e+03 1.797185314e+03 2.081026529e+03 1.14 1.015754492e+03 1.633449919e+03 1.893209729e+03 1.16 9.175000648e+02 1.485369472e+03 1.723438598e+03 1.18 8.289517689e+02 1.351278067e+03 1.569909146e+03 1.20 7.491254009e+02 1.229686519e+03 1.430606813e+03 1.22 6.771329174e+02 1.119286760e+03 1.304158629e+03 1.24 6.121907598e+02 1.019225839e+03 1.189393133e+03 1.26 5.536060421e+02 9.281995150e+02 1.085261237e+03 1.28 5.007227172e+02 8.453144219e+02 9.907514055e+02 1.30 4.529188505e+02 7.699612421e+02 9.048939831e+02 1.32 4.096401185e+02 7.015729009e+02 8.268059679e+02 1.34 3.703873072e+02 6.394967121e+02 7.556732557e+02 1.36 3.347586883e+02 5.830614604e+02 6.907413023e+02 1.38 3.024550774e+02 5.316713333e+02 6.313437142e+02 1.40 2.732223732e+02 4.848209362e+02 5.769119976e+02 1.42 2.467805648e+02 4.420467190e+02 5.271148841e+02 1.44 2.228311317e+02 4.029422623e+02 4.817055793e+02 1.46 2.011004651e+02 3.671588896e+02 4.402922930e+02 1.48 1.813571263e+02 3.343794774e+02 4.025220609e+02 1.50 1.633981362e+02 3.043440980e+02 3.680195795e+02 1.52 1.470461916e+02 2.768473675e+02 3.364405150e+02 1.54 1.321492273e+02 2.517080848e+02 3.075033371e+02 1.56 1.185693012e+02 2.287398785e+02 2.809617252e+02 1.58 1.061800920e+02 2.077455741e+02 2.565927855e+02 1.60 9.488458791e+01 1.885491545e+02 2.342091285e+02 1.62 8.460417339e+01 1.709961773e+02 2.136375536e+02 1.64 7.531048173e+01 1.549442958e+02 1.947150287e+02 1.66 6.693044727e+01 1.402596813e+02 1.772971032e+02 1.68 5.927368132e+01 1.268253489e+02 1.612548452e+02 1.70 5.229769672e+01 1.145415546e+02 1.464694927e+02 1.72 4.595227750e+01 1.033203987e+02 1.328353524e+02 1.74 4.019151154e+01 9.310684647e+01 1.202661550e+02 1.76 3.497375560e+01 8.382617175e+01 1.086886781e+02 1.78 3.026134371e+01 7.535047785e+01 9.804452182e+01 1.80 2.601741436e+01 6.761144054e+01 8.829356120e+01 1.82 2.220598762e+01 6.055132222e+01 7.937487491e+01 1.84 1.879753199e+01 5.412189770e+01 7.122689737e+01 1.86 1.576303105e+01 4.826880705e+01 6.379193175e+01 1.88 1.307157087e+01 4.294362865e+01 5.702041656e+01 1.90 1.069244180e+01 3.810161201e+01 5.086463028e+01 1.92 8.596904113e+00 3.370169758e+01 4.527101850e+01 1.94 6.757287584e+00 2.970594452e+01 4.019185753e+01 1.96 5.146380728e+00 2.607918210e+01 3.558477094e+01 1.98 3.737891587e+00 2.278876902e+01 3.141021662e+01 2.00 2.507636906e+00 1.980368072e+01 2.763303315e+01 2.02 1.463774156e+00 1.717624855e+01 2.434304018e+01 2.04 5.422403020e-01 1.476654476e+01 2.134123388e+01 2.06 -2.766377086e-01 1.255336054e+01 1.860668906e+01 2.08 -1.012372460e+00 1.051650992e+01 1.611996258e+01 2.10 -1.683669793e+00 8.640281456e+00 1.386195011e+01 2.12 -2.308090899e+00 6.921124871e+00 1.181432561e+01 2.14 -2.902048904e+00 5.357883901e+00 9.959662995e+00 2.16 -3.480817583e+00 3.949463570e+00 8.282032398e+00 2.18 -4.041553967e+00 2.693544749e+00 6.766510785e+00 2.20 -4.571514232e+00 1.578895243e+00 5.398595246e+00 2.22 -5.057475818e+00 5.902110658e-01 4.164093976e+00 2.24 -5.484237415e+00 -2.881956874e-01 3.049089997e+00 2.26 -5.844209052e+00 -1.071794671e+00 2.039928040e+00 2.28 -6.145653223e+00 -1.774075613e+00 1.123304925e+00 2.30 -6.398362888e+00 -2.406509267e+00 2.861066263e-01 2.32 -6.612500822e+00 -2.980208149e+00 -4.846241952e-01 2.34 -6.797579654e+00 -3.506116859e+00 -1.201061195e+00 2.36 -6.957894983e+00 -3.994435597e+00 -1.874566441e+00 2.38 -7.095632699e+00 -4.453945740e+00 -2.515966431e+00 2.40 -7.213124487e+00 -4.892772519e+00 -3.135766771e+00 2.42 -7.312695870e+00 -5.315996325e+00 -3.739895290e+00 2.44 -7.396352979e+00 -5.719213181e+00 -4.319892374e+00 2.46 -7.466002093e+00 -6.095906400e+00 -4.864823910e+00 2.48 -7.523145134e+00 -6.439042414e+00 -5.363857509e+00 2.50 -7.569202907e+00 -6.741167210e+00 -5.806025302e+00 2.52 -7.605738530e+00 -6.997417464e+00 -6.184224286e+00 2.54 -7.633493291e+00 -7.211559281e+00 -6.503877886e+00 2.56 -7.652572774e+00 -7.389142722e+00 -6.772740820e+00 2.58 -7.662847004e+00 -7.535684094e+00 -6.998670560e+00 2.60 -7.664259633e+00 -7.656733430e+00 -7.189508214e+00 2.62 -7.656852241e+00 -7.756910700e+00 -7.351940617e+00 2.64 -7.640908678e+00 -7.838351755e+00 -7.489522393e+00 2.66 -7.616793122e+00 -7.902581568e+00 -7.605105217e+00 2.68 -7.584937768e+00 -7.951012035e+00 -7.701363436e+00 2.70 -7.545744430e+00 -7.985026153e+00 -7.780783147e+00 2.72 -7.499352226e+00 -8.005808115e+00 -7.845384003e+00 2.74 -7.445581094e+00 -8.014054677e+00 -7.896192455e+00 2.76 -7.384195460e+00 -8.010360930e+00 -7.934012905e+00 2.78 -7.315009599e+00 -7.995364580e+00 -7.959738256e+00 2.80 -7.237857655e+00 -7.970014825e+00 -7.974617782e+00 2.82 -7.152604454e+00 -7.935416459e+00 -7.979898454e+00 2.84 -7.059163665e+00 -7.892477899e+00 -7.976465006e+00 2.86 -6.957471619e+00 -7.841837078e+00 -7.964905490e+00 2.88 -6.847585308e+00 -7.784052664e+00 -7.945680683e+00 2.90 -6.730067630e+00 -7.719734627e+00 -7.919244342e+00 2.92 -6.605633042e+00 -7.649499802e+00 -7.886063489e+00 2.94 -6.475016370e+00 -7.573969728e+00 -7.846713505e+00 2.96 -6.338981639e+00 -7.493760686e+00 -7.801806953e+00 2.98 -6.198459120e+00 -7.409424728e+00 -7.752029135e+00 3.00 -6.054466580e+00 -7.321548880e+00 -7.698158362e+00 3.02 -5.907997197e+00 -7.230672384e+00 -7.640833883e+00 3.04 -5.759937740e+00 -7.137044713e+00 -7.580145569e+00 3.06 -5.611068021e+00 -7.040765275e+00 -7.515957496e+00 3.08 -5.461884155e+00 -6.941864671e+00 -7.448064475e+00 3.10 -5.312848992e+00 -6.840374686e+00 -7.376253105e+00 3.12 -5.164449695e+00 -6.736332305e+00 -7.300320058e+00 3.14 -5.017157752e+00 -6.629755254e+00 -7.220070070e+00 3.16 -4.871430767e+00 -6.520646719e+00 -7.135279495e+00 3.18 -4.727715505e+00 -6.408994582e+00 -7.045722838e+00 3.20 -4.586446882e+00 -6.294774137e+00 -6.951174092e+00 3.22 -4.448042694e+00 -6.178038482e+00 -6.851493827e+00 3.24 -4.312837577e+00 -6.059041677e+00 -6.746892974e+00 3.26 -4.180988737e+00 -5.938100765e+00 -6.637699413e+00 3.28 -4.052562380e+00 -5.815562061e+00 -6.524287406e+00 3.30 -3.927516296e+00 -5.691772132e+00 -6.407032817e+00 3.32 -3.805748749e+00 -5.567074800e+00 -6.286342622e+00 3.34 -3.687068941e+00 -5.441810752e+00 -6.162697325e+00 3.36 -3.571226089e+00 -5.316305505e+00 -6.036590360e+00 3.38 -3.458126746e+00 -5.190883509e+00 -5.908517520e+00 3.40 -3.347808343e+00 -5.065868431e+00 -5.778977234e+00 3.42 -3.240299281e+00 -4.941539874e+00 -5.648416616e+00 3.44 -3.135589655e+00 -4.818051821e+00 -5.517117239e+00 3.46 -3.033615458e+00 -4.695548591e+00 -5.385352571e+00 3.48 -2.934270484e+00 -4.574183827e+00 -5.253426703e+00 3.50 -2.837455638e+00 -4.454079349e+00 -5.121685314e+00 3.52 -2.743074743e+00 -4.335331592e+00 -4.990483444e+00 3.54 -2.651011762e+00 -4.217981158e+00 -4.860113631e+00 3.56 -2.561150727e+00 -4.102050271e+00 -4.730851885e+00 3.58 -2.473383688e+00 -3.987615826e+00 -4.602973727e+00 3.60 -2.387611020e+00 -3.874820194e+00 -4.476754996e+00 3.62 -2.303771104e+00 -3.763795000e+00 -4.352447558e+00 3.64 -2.221861235e+00 -3.654635748e+00 -4.230253211e+00 3.66 -2.141911126e+00 -3.547438440e+00 -4.110350613e+00 3.68 -2.063982990e+00 -3.442306111e+00 -3.992887549e+00 3.70 -1.988107855e+00 -3.339345132e+00 -3.878009333e+00 3.72 -1.914201775e+00 -3.238653055e+00 -3.765842233e+00 3.74 -1.842168917e+00 -3.140295289e+00 -3.656458083e+00 3.76 -1.771914740e+00 -3.044334746e+00 -3.549918344e+00 3.78 -1.703398739e+00 -2.950838280e+00 -3.446283245e+00 3.80 -1.636675400e+00 -2.859876658e+00 -3.345611689e+00 3.82 -1.571801275e+00 -2.771511214e+00 -3.247943523e+00 3.84 -1.508806767e+00 -2.685767801e+00 -3.153253027e+00 3.86 -1.447703870e+00 -2.602667802e+00 -3.061480538e+00 3.88 -1.388487617e+00 -2.522227642e+00 -2.972552275e+00 3.90 -1.331132402e+00 -2.444457474e+00 -2.886381511e+00 3.92 -1.275587915e+00 -2.369344500e+00 -2.802867297e+00 3.94 -1.221780639e+00 -2.296819615e+00 -2.721893097e+00 3.96 -1.169626753e+00 -2.226787198e+00 -2.643325291e+00 3.98 -1.119013101e+00 -2.159130184e+00 -2.567011542e+00 4.00 -1.069782502e+00 -2.093707453e+00 -2.492778934e+00 4.02 -1.021768364e+00 -2.030344008e+00 -2.420422452e+00 4.04 -9.749034124e-01 -1.968821838e+00 -2.349684382e+00 4.06 -9.291610865e-01 -1.908894541e+00 -2.280278988e+00 4.08 -8.844769488e-01 -1.850288441e+00 -2.211896346e+00 4.10 -8.406388389e-01 -1.792699740e+00 -2.144199156e+00 4.12 -7.976563052e-01 -1.735837503e+00 -2.076874730e+00 4.14 -7.583756480e-01 -1.679567242e+00 -2.009806801e+00 4.16 -7.196415160e-01 -1.623788608e+00 -1.942931234e+00 4.18 -6.760587040e-01 -1.568393647e+00 -1.876185446e+00 4.20 -6.280214653e-01 -1.513269126e+00 -1.809508708e+00 4.22 -5.810994723e-01 -1.458300372e+00 -1.742859568e+00 4.24 -5.382238536e-01 -1.403379560e+00 -1.676234123e+00 4.26 -5.008120729e-01 -1.348395894e+00 -1.609634080e+00 4.28 -4.691248077e-01 -1.293325820e+00 -1.543065060e+00 4.30 -4.427321423e-01 -1.238188668e+00 -1.476536839e+00 4.32 -4.212461356e-01 -1.183008968e+00 -1.410064884e+00 4.34 -4.035529352e-01 -1.127815832e+00 -1.343671510e+00 4.36 -3.870110974e-01 -1.072643539e+00 -1.277387276e+00 4.38 -3.695160857e-01 -1.017536648e+00 -1.211253343e+00 4.40 -3.494558383e-01 -9.625459459e-01 -1.145324830e+00 4.42 -3.261266808e-01 -9.077444324e-01 -1.079678657e+00 4.44 -2.993917578e-01 -8.532416644e-01 -1.014431410e+00 4.46 -2.693201328e-01 -7.991404180e-01 -9.497331124e-01 4.48 -2.374727367e-01 -7.456505740e-01 -8.857710022e-01 4.50 -2.056459972e-01 -6.926401420e-01 -8.227932827e-01 4.52 -1.751984647e-01 -6.404033467e-01 -7.610736226e-01 4.54 -1.469079090e-01 -5.900377079e-01 -7.006568004e-01 4.56 -1.211901929e-01 -5.443694318e-01 -6.412369429e-01 4.58 -9.823509572e-02 -5.031864515e-01 -5.827422891e-01 4.60 -7.807275080e-02 -4.591502401e-01 -5.299553578e-01 4.62 -6.062500354e-02 -4.049383497e-01 -4.846354909e-01 4.64 -4.574429399e-02 -3.397120653e-01 -4.349952231e-01 4.66 -3.324214429e-02 -2.691767420e-01 -3.712605974e-01 4.68 -2.290944159e-02 -2.019487795e-01 -2.939140919e-01 4.70 -1.453022057e-02 -1.431856297e-01 -2.147452988e-01 4.72 -7.890403825e-03 -9.477359472e-02 -1.443410480e-01 4.74 -2.782755077e-03 -5.674012133e-02 -8.705410970e-02 4.76 9.917908304e-04 -2.816737547e-02 -4.342697167e-02 4.78 3.625389929e-03 -7.746145564e-03 -1.217599030e-02 4.80 5.302088447e-03 5.919282200e-03 8.670758079e-03 4.82 6.198239340e-03 1.416815106e-02 2.119384343e-02 4.84 6.482283295e-03 1.823551702e-02 2.734247282e-02 4.86 6.318433777e-03 1.926511307e-02 2.889670264e-02 4.88 5.868805872e-03 1.833998355e-02 2.750996011e-02 4.90 5.294525448e-03 1.651260204e-02 2.476890307e-02 4.92 4.729549844e-03 1.465120406e-02 2.197680610e-02 4.94 4.200344134e-03 1.292552320e-02 1.938828481e-02 4.96 3.706508507e-03 1.133108801e-02 1.699663201e-02 4.98 3.247643151e-03 9.863427037e-03 1.479514055e-02 5.00 2.823348257e-03 8.518069766e-03 1.277710465e-02 5.02 2.433224014e-03 7.290946094e-03 1.093641914e-02 5.04 2.076870613e-03 6.179011818e-03 9.268517727e-03 5.06 1.753888243e-03 5.179384715e-03 7.769077072e-03 5.08 1.463877094e-03 4.289182564e-03 6.433773846e-03 5.10 1.206437356e-03 3.505523144e-03 5.258284716e-03 5.12 9.808783995e-04 2.824748714e-03 4.237123072e-03 5.14 7.853462883e-04 2.240099384e-03 3.360149076e-03 5.16 6.176962491e-04 1.744039696e-03 2.616059545e-03 5.18 4.757835086e-04 1.329034195e-03 1.993551292e-03 5.20 3.574632940e-04 9.875474237e-04 1.481321135e-03 5.22 2.605908322e-04 7.120439266e-04 1.068065890e-03 5.24 1.830213501e-04 4.949882477e-04 7.424823715e-04 5.26 1.226100747e-04 3.288449309e-04 4.932673963e-04 5.28 7.721223302e-05 2.060785201e-04 3.091177802e-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 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