# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2024--Starikov-S-Grigorev-P-Olsson-P-A-T--W-Mo-Nb # implementation = 2024--Starikov-S--W-Mo-Nb--LAMMPS--ipr1 # NOTE: These values only provide a look at the purely pair interaction # of the potential and therefore exclude multi-body interactions. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2024-01-04 r Nb W Mo W Mo Nb Mo Mo W W Nb Nb 0.02 1.104458474e+19 9.493818624e+01 4.774345612e+04 9.049849001e+02 1.425946113e+01 2.019030023e+05 0.04 7.383885015e+18 9.487477738e+01 4.317787719e+04 8.532620166e+02 1.376530802e+01 1.794025697e+05 0.06 4.936514625e+18 9.650774583e+01 3.904876902e+04 8.044462198e+02 1.332794105e+01 1.594099319e+05 0.08 3.300318955e+18 9.931939354e+01 3.531440308e+04 7.583770510e+02 1.293746043e+01 1.416455671e+05 0.10 2.206436295e+18 1.028941827e+02 3.193704184e+04 7.149021872e+02 1.258518748e+01 1.258611091e+05 0.12 1.475118377e+18 1.068944066e+02 2.888255657e+04 6.738772708e+02 1.226354249e+01 1.118358743e+05 0.14 9.861940126e+17 1.110453502e+02 2.612008124e+04 6.351659126e+02 1.196593345e+01 9.937377647e+04 0.16 6.593224442e+17 1.151456609e+02 2.362170052e+04 5.986385945e+02 1.168665489e+01 8.830058611e+04 0.18 4.407916610e+17 1.190412560e+02 2.136216802e+04 5.641700939e+02 1.142079580e+01 7.846149442e+04 0.20 2.946923690e+17 1.226042068e+02 1.931865087e+04 5.316417186e+02 1.116415601e+01 6.971894806e+04 0.22 1.970173244e+17 1.257559505e+02 1.747049890e+04 5.009418446e+02 1.091317025e+01 6.195072581e+04 0.24 1.317164282e+17 1.284349434e+02 1.579903590e+04 4.719657375e+02 1.066483930e+01 5.504822974e+04 0.26 8.805934851e+16 1.306079500e+02 1.428737019e+04 4.446172990e+02 1.041666748e+01 4.891496670e+04 0.28 5.887229746e+16 1.322586064e+02 1.292022441e+04 4.188071248e+02 1.016660618e+01 4.346519899e+04 0.30 3.935922117e+16 1.333814400e+02 1.168378178e+04 3.944504484e+02 9.913002651e+00 3.862274466e+04 0.32 2.631370536e+16 1.339892359e+02 1.056554643e+04 3.714668908e+02 9.654553788e+00 3.431991285e+04 0.34 1.759209337e+16 1.340971370e+02 9.554217192e+03 3.497802375e+02 9.390264383e+00 3.049655779e+04 0.36 1.176123806e+16 1.337290292e+02 8.639573752e+03 3.293181892e+02 9.119409480e+00 2.709923781e+04 0.38 7.863005271e+15 1.329157361e+02 7.812373162e+03 3.100121912e+02 8.841500463e+00 2.408046807e+04 0.40 5.256832025e+15 1.316883382e+02 7.064256033e+03 2.917973197e+02 8.556254560e+00 2.139805657e+04 0.42 3.514468368e+15 1.300806471e+02 6.387662168e+03 2.746120996e+02 8.263567437e+00 1.901451445e+04 0.44 2.349606745e+15 1.281288125e+02 5.775754457e+03 2.583983455e+02 7.963488626e+00 1.689653231e+04 0.46 1.570835543e+15 1.258694007e+02 5.222349473e+03 2.431009978e+02 7.656199514e+00 1.501451382e+04 0.48 1.050186062e+15 1.233385013e+02 4.721854908e+03 2.286679645e+02 7.341993669e+00 1.334216165e+04 0.50 7.021045161e+14 1.205705110e+02 4.269212908e+03 2.150496247e+02 7.021259279e+00 1.185610977e+04 0.52 4.693937186e+14 1.175981285e+02 3.859849067e+03 2.021989246e+02 6.694463520e+00 1.053559668e+04 0.54 3.138143346e+14 1.144529199e+02 3.489626395e+03 1.900716567e+02 6.362138660e+00 9.362175102e+03 0.56 2.098013527e+14 1.111653334e+02 3.154803264e+03 1.786263005e+02 6.024869748e+00 8.319453841e+03 0.58 1.402632172e+14 1.077638017e+02 2.851995278e+03 1.678238309e+02 5.683283723e+00 7.392868402e+03 0.60 9.377332525e+13 1.042745235e+02 2.578141541e+03 1.576275597e+02 5.338039818e+00 6.569477630e+03 0.62 6.269239286e+13 1.007213362e+02 2.330473771e+03 1.480029722e+02 4.989821126e+00 5.837782796e+03 0.64 4.191315804e+13 9.712609327e+01 2.106488332e+03 1.389175797e+02 4.639327223e+00 5.187566816e+03 0.66 2.802114838e+13 9.350884915e+01 1.903920909e+03 1.303407884e+02 4.287267725e+00 4.609751379e+03 0.68 1.873361010e+13 8.988777409e+01 1.720723636e+03 1.222437702e+02 3.934356711e+00 4.096270014e+03 0.70 1.252440264e+13 8.627908965e+01 1.555044570e+03 1.145993431e+02 3.581307893e+00 3.639955247e+03 0.72 8.373221014e+12 8.269721665e+01 1.405209139e+03 1.073818658e+02 3.228830491e+00 3.234438348e+03 0.74 5.597937826e+12 7.915488037e+01 1.269702897e+03 1.005671422e+02 2.877625704e+00 2.874060360e+03 0.76 3.742515218e+12 7.566320491e+01 1.147156177e+03 9.413233074e+01 2.528383736e+00 2.553792996e+03 0.78 2.502067810e+12 7.223181223e+01 1.036330251e+03 8.805586462e+01 2.181781319e+00 2.269168333e+03 0.80 1.672763636e+12 6.886892268e+01 9.361048055e+02 8.231738332e+01 1.838479655e+00 2.016216348e+03 0.82 1.118330292e+12 6.558145064e+01 8.454666334e+02 7.689766712e+01 1.499122759e+00 1.791409427e+03 0.84 7.476625169e+11 6.237503298e+01 7.634992532e+02 7.177858440e+01 1.164336138e+00 1.591613037e+03 0.86 4.998516597e+11 5.925420022e+01 6.893735276e+02 6.694304413e+01 8.347257732e-01 1.414041903e+03 0.88 3.341770941e+11 5.622264758e+01 6.223395260e+02 6.237496217e+01 5.108773666e-01 1.256221097e+03 0.90 2.234149471e+11 5.328324432e+01 5.617190083e+02 5.805922903e+01 1.933558263e-01 1.115951435e+03 0.92 1.493646327e+11 5.043771256e+01 5.068985772e+02 5.398168485e+01 -1.172950480e-01 9.912787473e+02 0.94 9.985810550e+10 4.768672984e+01 4.573235098e+02 5.012911185e+01 -4.205527005e-01 8.804665724e+02 0.96 6.676038905e+10 4.503008619e+01 4.124921556e+02 4.648921701e+01 -7.159158009e-01 7.819718809e+02 0.98 4.463282505e+10 4.246744897e+01 3.719511149e+02 4.305064017e+01 -1.002904093e+00 6.944235477e+02 1.00 2.983938584e+10 3.999847334e+01 3.352911913e+02 3.980295406e+01 -1.281058131e+00 6.166032370e+02 1.02 1.994919517e+10 3.762212862e+01 3.021425257e+02 3.673633242e+01 -1.549938917e+00 5.474283336e+02 1.04 1.333708382e+10 3.533604534e+01 2.721704861e+02 3.384106903e+01 -1.809127465e+00 4.859367916e+02 1.06 8.916540551e+09 3.313724010e+01 2.450724301e+02 3.110788193e+01 -2.058224284e+00 4.312737047e+02 1.08 5.961175497e+09 3.102637999e+01 2.205746486e+02 2.852791367e+01 -2.296848823e+00 3.826793664e+02 1.10 3.985358899e+09 2.899469082e+01 1.984295822e+02 2.609267567e+01 -2.525370559e+00 3.394786829e+02 1.12 2.664421800e+09 2.704168320e+01 1.784129946e+02 2.379399347e+01 -2.744640708e+00 3.010731169e+02 1.14 1.781305987e+09 2.517022854e+01 1.603195573e+02 2.162394794e+01 -2.964391365e+00 2.669303188e+02 1.16 1.190896670e+09 2.338196444e+01 1.439623873e+02 1.957478795e+01 -3.179757469e+00 2.365765738e+02 1.18 7.961770090e+08 2.167718918e+01 1.291727597e+02 1.763880446e+01 -3.400290982e+00 2.095908985e+02 1.20 5.322861607e+08 2.004881280e+01 1.157980696e+02 1.580834343e+01 -3.622455097e+00 1.855991662e+02 1.22 3.558612493e+08 1.849351336e+01 1.037002721e+02 1.407573489e+01 -3.845391524e+00 1.642688864e+02 1.24 2.379119236e+08 1.700889578e+01 9.275453717e+01 1.243325081e+01 -4.061963749e+00 1.453045668e+02 1.26 1.590566069e+08 1.558590701e+01 8.284862171e+01 1.087415396e+01 -4.280453320e+00 1.284435915e+02 1.28 1.063376901e+08 1.422566008e+01 7.392053839e+01 9.395236369e+00 -4.491135322e+00 1.134525590e+02 1.30 7.109232867e+07 1.291766846e+01 6.587341111e+01 7.994790981e+00 -4.701974349e+00 1.001240282e+02 1.32 4.752895552e+07 1.167028450e+01 5.860432896e+01 6.672144354e+00 -4.911436966e+00 8.827362750e+01 1.34 3.177560404e+07 1.048312258e+01 5.203801828e+01 5.427206292e+00 -5.116384045e+00 7.773748551e+01 1.36 2.124366150e+07 9.348044252e+00 4.610650146e+01 4.257554485e+00 -5.314421179e+00 6.836994850e+01 1.38 1.420250462e+07 8.269675220e+00 4.074824286e+01 3.159797669e+00 -5.528126628e+00 6.004155211e+01 1.40 9.495121082e+06 7.249790905e+00 3.590738919e+01 2.130696359e+00 -5.737019116e+00 5.263721914e+01 1.42 6.347987517e+06 6.282747236e+00 3.153397183e+01 1.166803843e+00 -5.939133611e+00 4.605465810e+01 1.44 4.243963011e+06 5.367962798e+00 2.758497056e+01 2.637266357e-01 -6.138379740e+00 4.020294036e+01 1.46 2.837311746e+06 4.496714772e+00 2.402243411e+01 -5.832428831e-01 -6.332222913e+00 3.500123566e+01 1.48 1.896891231e+06 3.668785528e+00 2.081227879e+01 -1.378622191e+00 -6.534325082e+00 3.037768875e+01 1.50 1.268170554e+06 2.882357363e+00 1.792033875e+01 -2.123843701e+00 -6.732294514e+00 2.626842098e+01 1.52 8.478376206e+05 2.142040859e+00 1.531346632e+01 -2.818430741e+00 -6.922093269e+00 2.261664328e+01 1.54 5.668228443e+05 1.447290600e+00 1.296145129e+01 -3.461563537e+00 -7.104876220e+00 1.937186789e+01 1.56 3.789495741e+05 8.050602362e-01 1.084217604e+01 -4.054256098e+00 -7.270408280e+00 1.648920798e+01 1.58 2.533462974e+05 2.037365307e-01 8.939717095e+00 -4.598687255e+00 -7.413933306e+00 1.392875522e+01 1.60 1.693737906e+05 -3.204539414e-01 7.239817375e+00 -5.097372937e+00 -7.554310708e+00 1.165502672e+01 1.62 1.132336514e+05 -8.244437934e-01 5.722381688e+00 -5.554863619e+00 -7.624011000e+00 9.636473641e+00 1.64 7.570092135e+04 -1.301706561e+00 4.365534576e+00 -5.976765218e+00 -7.711587903e+00 7.845044454e+00 1.66 5.060822875e+04 -1.748248673e+00 3.151471583e+00 -6.362566827e+00 -7.793124340e+00 6.255796898e+00 1.68 3.383236099e+04 -2.159214820e+00 2.070746001e+00 -6.696790160e+00 -7.900049702e+00 4.846553151e+00 1.70 2.261673548e+04 -2.549194836e+00 1.116333810e+00 -6.961910305e+00 -7.984203127e+00 3.597593420e+00 1.72 1.511843451e+04 -2.910440702e+00 2.791008936e-01 -7.161461451e+00 -8.058914858e+00 2.636680400e+00 1.74 1.010537132e+04 -3.223700243e+00 -4.512626710e-01 -7.313597992e+00 -8.140898455e+00 1.656952712e+00 1.76 6.753829939e+03 -3.512537929e+00 -1.084987401e+00 -7.427457191e+00 -8.231356880e+00 8.024561127e-01 1.78 4.513111212e+03 -3.788235609e+00 -1.632889309e+00 -7.493679792e+00 -8.311417636e+00 5.850842683e-02 1.80 3.015043173e+03 -4.039401291e+00 -2.105546713e+00 -7.501817183e+00 -8.374483586e+00 -5.876486624e-01 1.82 2.013482791e+03 -4.258690663e+00 -2.513426951e+00 -7.508332791e+00 -8.446884001e+00 -1.145498824e+00 1.84 1.343869460e+03 -4.461123957e+00 -2.866646896e+00 -7.441439877e+00 -8.529009800e+00 -1.624207321e+00 1.86 8.961850019e+02 -4.583453866e+00 -3.173805453e+00 -7.297952056e+00 -8.636727501e+00 -2.032927478e+00 1.88 5.968757422e+02 -4.629084660e+00 -3.437473535e+00 -7.029645783e+00 -8.737348858e+00 -2.380798263e+00 1.90 3.967663999e+02 -4.635944490e+00 -3.654130415e+00 -6.809740661e+00 -8.823833345e+00 -2.676944135e+00 1.92 2.629799659e+02 -4.696721861e+00 -3.827185302e+00 -6.622756648e+00 -8.903632674e+00 -2.930284604e+00 1.94 1.735358128e+02 -4.868169510e+00 -3.959717927e+00 -6.261546715e+00 -8.995474243e+00 -3.146895734e+00 1.96 1.137385169e+02 -5.075668334e+00 -4.054358073e+00 -5.880123801e+00 -9.022673523e+00 -3.330668505e+00 1.98 7.376304279e+01 -5.281395595e+00 -4.113291513e+00 -5.475834761e+00 -9.023006012e+00 -3.485425259e+00 2.00 4.704423746e+01 -5.456686294e+00 -4.137185557e+00 -5.051504610e+00 -8.944442729e+00 -3.614971580e+00 2.02 2.919313207e+01 -5.623509961e+00 -4.171321904e+00 -4.651449354e+00 -8.861380873e+00 -3.723101641e+00 2.04 1.727378589e+01 -5.859068251e+00 -4.188752116e+00 -4.442219431e+00 -8.771349407e+00 -3.813590343e+00 2.06 9.323255065e+00 -5.999958801e+00 -4.162269200e+00 -4.206958724e+00 -8.675674002e+00 -3.889888485e+00 2.08 4.029114213e+00 -6.016525748e+00 -4.094941128e+00 -3.939909652e+00 -8.582387296e+00 -3.953709978e+00 2.10 4.937080291e-01 -5.970784659e+00 -3.996913501e+00 -3.655257916e+00 -8.484986455e+00 -4.006246199e+00 2.12 -1.566708152e+00 -5.876348402e+00 -3.878756676e+00 -3.367361034e+00 -8.381475571e+00 -4.046524192e+00 2.14 -3.181065161e+00 -5.747327363e+00 -3.751574237e+00 -3.090676620e+00 -8.269240645e+00 -4.078259938e+00 2.16 -4.164886703e+00 -5.598422176e+00 -3.627104531e+00 -2.839274383e+00 -8.148330551e+00 -4.101060434e+00 2.18 -4.757093279e+00 -5.444847770e+00 -3.517546968e+00 -2.626837315e+00 -8.019405595e+00 -4.116268874e+00 2.20 -5.140098772e+00 -5.296147369e+00 -3.428762583e+00 -2.457910660e+00 -7.883240415e+00 -4.125105390e+00 2.22 -5.358265656e+00 -5.150148632e+00 -3.353267681e+00 -2.326074577e+00 -7.728264166e+00 -4.122271860e+00 2.24 -5.445637602e+00 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