# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = Mo3W # 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 2024-04-11 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 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 4.165553811e+02 nan nan 1.16 3.822189945e+02 nan nan 1.18 3.508013588e+02 nan nan 1.20 3.220311569e+02 nan nan 1.22 2.956572981e+02 nan nan 1.24 2.714479958e+02 nan nan 1.26 2.491917504e+02 nan nan 1.28 2.287000504e+02 3.590153148e+02 4.139251154e+02 1.30 2.098101479e+02 3.319262945e+02 3.833899710e+02 1.32 1.923857295e+02 3.069391791e+02 3.551243897e+02 1.34 1.763139131e+02 2.838594410e+02 3.289250883e+02 1.36 1.614989409e+02 2.625047056e+02 3.046198673e+02 1.38 1.478548917e+02 2.427087200e+02 2.820647336e+02 1.40 1.352999820e+02 2.243256435e+02 2.611359652e+02 1.42 1.237536125e+02 2.072319395e+02 2.417217570e+02 1.44 1.131357850e+02 1.913247744e+02 2.237169280e+02 1.46 1.033678947e+02 1.765179422e+02 2.070210241e+02 1.48 9.437412519e+01 1.627373307e+02 1.915381666e+02 1.50 8.608308218e+01 1.499174711e+02 1.771770948e+02 1.52 7.842947427e+01 1.379995593e+02 1.638509761e+02 1.54 7.135554916e+01 1.269304290e+02 1.514774085e+02 1.56 6.481189468e+01 1.166617160e+02 1.399790507e+02 1.58 5.875731576e+01 1.071487414e+02 1.292847616e+02 1.60 5.315779209e+01 9.834908758e+01 1.193306253e+02 1.62 4.798480799e+01 9.022114944e+01 1.100602490e+02 1.64 4.321347125e+01 8.272301803e+01 1.014241845e+02 1.66 3.882079626e+01 7.581194187e+01 9.337879327e+01 1.68 3.478440512e+01 6.944440583e+01 8.588503359e+01 1.70 3.108176566e+01 6.357668110e+01 7.890751594e+01 1.72 2.769030736e+01 5.816561658e+01 7.241393171e+01 1.74 2.458814218e+01 5.316947714e+01 6.637475344e+01 1.76 2.175992779e+01 4.854872918e+01 6.076299782e+01 1.78 1.918477494e+01 4.426675981e+01 5.555386193e+01 1.80 1.684051011e+01 4.029054003e+01 5.072417265e+01 1.82 1.470587496e+01 3.659119290e+01 4.625174446e+01 1.84 1.276062580e+01 3.314434150e+01 4.211481645e+01 1.86 1.098567912e+01 2.993024640e+01 3.829169397e+01 1.88 9.363321733e+00 2.693365056e+01 3.476061099e+01 1.90 7.877436638e+00 2.414563621e+01 3.149974726e+01 1.92 6.513671381e+00 2.155937102e+01 2.848748076e+01 1.94 5.259499091e+00 1.916429564e+01 2.570281369e+01 1.96 4.104163554e+00 1.695030089e+01 2.312858553e+01 1.98 3.038530960e+00 1.490738909e+01 2.074933090e+01 2.00 2.054883892e+00 1.302544672e+01 1.854542849e+01 2.02 1.146692859e+00 1.129416710e+01 1.649891896e+01 2.04 3.083926813e-01 9.703057451e+00 1.459403313e+01 2.06 -4.648203102e-01 8.241496971e+00 1.281751421e+01 2.08 -1.177164168e+00 6.898843868e+00 1.115866711e+01 2.10 -1.832419467e+00 5.664601290e+00 9.609132774e+00 2.12 -2.434049714e+00 4.528641454e+00 8.162462740e+00 2.14 -2.985293676e+00 3.481462303e+00 6.813604517e+00 2.16 -3.489229967e+00 2.514428111e+00 5.558399228e+00 2.18 -3.948816127e+00 1.619940120e+00 4.393159420e+00 2.20 -4.366906535e+00 7.915005107e-01 3.314357578e+00 2.22 -4.746254557e+00 2.366422709e-02 2.318427092e+00 2.24 -5.089504328e+00 -6.880968331e-01 1.401659698e+00 2.26 -5.399176636e+00 -1.347576426e+00 5.601749458e-01 2.28 -5.677652266e+00 -1.958022572e+00 -2.100647171e-01 2.30 -5.927150248e+00 -2.522302679e+00 -9.132167976e-01 2.32 -6.149644843e+00 -3.043030464e+00 -1.553517016e+00 2.34 -6.347042509e+00 -3.522652342e+00 -2.135242536e+00 2.36 -6.521090574e+00 -3.963498556e+00 -2.662681877e+00 2.38 -6.673324500e+00 -4.367807446e+00 -3.140107193e+00 2.40 -6.805072196e+00 -4.737731367e+00 -3.571741695e+00 2.42 -6.917465075e+00 -5.075331372e+00 -3.961715920e+00 2.44 -7.011456324e+00 -5.382566054e+00 -4.314010766e+00 2.46 -7.087845514e+00 -5.661278307e+00 -4.632391199e+00 2.48 -7.147223161e+00 -5.913182676e+00 -4.920339880e+00 2.50 -7.189690856e+00 -6.139855173e+00 -5.181002394e+00 2.52 -7.215292934e+00 -6.342726826e+00 -5.417154247e+00 2.54 -7.224800569e+00 -6.523022598e+00 -5.631194927e+00 2.56 -7.218981651e+00 -6.681890415e+00 -5.825168164e+00 2.58 -7.198585287e+00 -6.820411041e+00 -6.000802312e+00 2.60 -7.164350317e+00 -6.939543693e+00 -6.159501051e+00 2.62 -7.117010232e+00 -7.040149787e+00 -6.302519924e+00 2.64 -7.057201365e+00 -7.123019645e+00 -6.431029250e+00 2.66 -6.984644478e+00 -7.188899665e+00 -6.546064541e+00 2.68 -6.898667880e+00 -7.238517153e+00 -6.648560366e+00 2.70 -6.798781317e+00 -7.272564166e+00 -6.739373401e+00 2.72 -6.684702708e+00 -7.291430670e+00 -6.819296012e+00 2.74 -6.556386108e+00 -7.295441146e+00 -6.889062230e+00 2.76 -6.414048503e+00 -7.285449121e+00 -6.949342556e+00 2.78 -6.258185290e+00 -7.262414312e+00 -7.000521725e+00 2.80 -6.089565655e+00 -7.227300624e+00 -7.042658676e+00 2.82 -5.909202882e+00 -7.181073238e+00 -7.076319361e+00 2.84 -5.718300382e+00 -7.124697081e+00 -7.102027929e+00 2.86 -5.518180539e+00 -7.059078389e+00 -7.120203692e+00 2.88 -5.310208355e+00 -6.984753508e+00 -7.131156517e+00 2.90 -5.095723845e+00 -6.901696846e+00 -7.135084575e+00 2.92 -4.875995395e+00 -6.809842971e+00 -7.132075312e+00 2.94 -4.652201400e+00 -6.709282427e+00 -7.122110407e+00 2.96 -4.425440876e+00 -6.600252022e+00 -7.104976922e+00 2.98 -4.196767283e+00 -6.483116984e+00 -7.079937148e+00 3.00 -3.967234965e+00 -6.358343685e+00 -7.046135862e+00 3.02 -3.737945295e+00 -6.226463655e+00 -7.002756468e+00 3.04 -3.510080051e+00 -6.088031974e+00 -6.949029864e+00 3.06 -3.284912449e+00 -5.943584858e+00 -6.884245689e+00 3.08 -3.063790985e+00 -5.793601829e+00 -6.807764268e+00 3.10 -2.848096799e+00 -5.638477204e+00 -6.719027414e+00 3.12 -2.639180710e+00 -5.478503985e+00 -6.617566783e+00 3.14 -2.438290076e+00 -5.313871179e+00 -6.503009246e+00 3.16 -2.246497495e+00 -5.144673728e+00 -6.375079712e+00 3.18 -2.064642602e+00 -4.970932983e+00 -6.233602689e+00 3.20 -1.893295292e+00 -4.792625108e+00 -6.078504570e+00 3.22 -1.732744315e+00 -4.609714889e+00 -5.909818936e+00 3.24 -1.583010697e+00 -4.422192723e+00 -5.727696977e+00 3.26 -1.443881712e+00 -4.230112953e+00 -5.532424535e+00 3.28 -1.314958797e+00 -4.033631818e+00 -5.324446119e+00 3.30 -1.195712107e+00 -3.833043148e+00 -5.104394852e+00 3.32 -1.085534927e+00 -3.628809550e+00 -4.873125634e+00 3.34 -9.837925793e-01 -3.421586341e+00 -4.631747216e+00 3.36 -8.898622122e-01 -3.212235178e+00 -4.381647593e+00 3.38 -8.031616176e-01 -3.001824373e+00 -4.124506430e+00 3.40 -7.231667588e-01 -2.791613496e+00 -3.862288578e+00 3.42 -6.494188935e-01 -2.583021127e+00 -3.597214130e+00 3.44 -5.815230309e-01 -2.377576456e+00 -3.331703136e+00 3.46 -5.191399774e-01 -2.176857567e+00 -3.068296507e+00 3.48 -4.619744270e-01 -1.982421283e+00 -2.809558480e+00 3.50 -4.097614632e-01 -1.795730984e+00 -2.557969193e+00 3.52 -3.622535114e-01 -1.618089339e+00 -2.315818014e+00 3.54 -3.192092754e-01 -1.450582424e+00 -2.085108469e+00 3.56 -2.803856037e-01 -1.294040109e+00 -1.867484040e+00 3.58 -2.455326366e-01 -1.149015364e+00 -1.664181026e+00 3.60 -2.143920798e-01 -1.015782683e+00 -1.476010802e+00 3.62 -1.866980912e-01 -8.943535890e-01 -1.303370017e+00 3.64 -1.621800630e-01 -7.845055964e-01 -1.146274236e+00 3.66 -1.405665323e-01 -6.858201640e-01 -1.004408629e+00 3.68 -1.215894071e-01 -5.977251165e-01 -8.771886984e-01 3.70 -1.049882357e-01 -5.195375196e-01 -7.638244865e-01 3.72 -9.051431773e-02 -4.505038793e-01 -6.633828353e-01 3.74 -7.793310917e-02 -3.898355502e-01 -5.748438219e-01 3.76 -6.702634897e-02 -3.367382014e-01 -4.971490031e-01 3.78 -5.759338253e-02 -2.904349967e-01 -4.292404601e-01 3.80 -4.945167814e-02 -2.501837386e-01 -3.700906666e-01 3.82 -4.243672332e-02 -2.152886074e-01 -3.187239089e-01 3.84 -3.640147486e-02 -1.851073283e-01 -2.742303930e-01 3.86 -3.121547575e-02 -1.590546578e-01 -2.357743389e-01 3.88 -2.676366021e-02 -1.366030472e-01 -2.025973612e-01 3.90 -2.294436884e-02 -1.172812480e-01 -1.740183245e-01 3.92 -1.966992779e-02 -1.006715038e-01 -1.494307001e-01 3.94 -1.686428595e-02 -8.640585716e-02 -1.282982662e-01 3.96 -1.446130573e-02 -7.416197516e-02 -1.101498125e-01 3.98 -1.240371077e-02 -6.365877783e-02 -9.457335139e-02 4.00 -1.064206302e-02 -5.465207565e-02 -8.121020651e-02 4.02 -9.133802345e-03 -4.693040433e-02 -6.974924317e-02 4.04 -7.842366180e-03 -4.031115707e-02 -5.992134528e-02 4.06 -6.736396049e-03 -3.463681148e-02 -5.149428809e-02 4.08 -5.789031442e-03 -2.977157993e-02 -4.426810776e-02 4.10 -4.977287404e-03 -2.559925982e-02 -3.807092807e-02 4.12 -4.281509981e-03 -2.202081854e-02 -3.275495355e-02 4.14 -3.684902536e-03 -1.895117192e-02 -2.819293547e-02 4.16 -3.173115611e-03 -1.631728207e-02 -2.427707328e-02 4.18 -2.733893103e-03 -1.405654377e-02 -2.091508427e-02 4.20 -2.356767894e-03 -1.211534906e-02 -1.802773795e-02 4.22 -2.032800760e-03 -1.044782550e-02 -1.554710666e-02 4.24 -1.754356509e-03 -9.014736445e-03 -1.341500868e-02 4.26 -1.514912736e-03 -7.782528511e-03 -1.158164006e-02 4.28 -1.308896327e-03 -6.722510089e-03 -1.000438272e-02 4.30 -1.131543927e-03 -5.810145346e-03 -8.646772724e-03 4.32 -9.787829247e-04 -5.024448880e-03 -7.477611043e-03 4.34 -8.471299918e-04 -4.347467635e-03 -6.470199794e-03 4.36 -7.336045893e-04 -3.763838063e-03 -5.601687621e-03 4.38 -6.356553248e-04 -3.260407945e-03 -4.852509625e-03 4.40 -5.510970997e-04 -2.825913645e-03 -4.205908720e-03 4.42 -4.780576603e-04 -2.450704771e-03 -3.647526901e-03 4.44 -4.149319998e-04 -2.126509331e-03 -3.165056391e-03 4.46 -3.603435070e-04 -1.846233457e-03 -2.747941961e-03 4.48 -3.131108468e-04 -1.603790578e-03 -2.387126964e-03 4.50 -2.722197193e-04 -1.393955719e-03 -2.074836638e-03 4.52 -2.367987662e-04 -1.212241182e-03 -1.804393153e-03 4.54 -2.060990327e-04 -1.054790459e-03 -1.570057991e-03 4.56 -1.794763954e-04 -9.182876645e-04 -1.366896891e-03 4.58 -1.563765956e-04 -7.998801914e-04 -1.190664993e-03 4.60 -1.363224325e-04 -6.971126340e-04 -1.037708470e-03 4.62 -1.189028202e-04 -6.078703130e-04 -9.048804922e-04 4.64 -1.037634294e-04 -5.303309834e-04 -7.894693759e-04 4.66 -9.059868061e-05 -4.629235216e-04 -6.891371091e-04 4.68 -7.914488916e-05 -4.042925656e-04 -6.018667383e-04 4.70 -6.917439497e-05 -3.532682349e-04 -5.259173127e-04 4.72 -6.049053134e-05 -3.088401875e-04 -4.597852817e-04 4.74 -5.292331153e-05 -2.701353815e-04 -4.021714039e-04 4.76 -4.632572828e-05 -2.363990004e-04 -3.519523652e-04 4.78 -4.057057755e-05 -2.069780859e-04 -3.081564243e-04 4.80 -3.554773081e-05 -1.813074605e-04 -2.699425003e-04 4.82 -3.116179109e-05 -1.588977521e-04 -2.365822091e-04 4.84 -2.733007789e-05 -1.393248659e-04 -2.074444222e-04 4.86 -2.398089357e-05 -1.222211646e-04 -1.819819868e-04 4.88 -2.105203144e-05 -1.072677622e-04 -1.597202994e-04 4.90 -1.848949087e-05 -9.418791284e-05 -1.402474683e-04 4.92 -1.624637018e-05 -8.274131561e-05 -1.232058390e-04 4.94 -1.428191221e-05 -7.271920634e-05 -1.082846897e-04 4.96 -1.256068105e-05 -6.394012473e-05 -9.521393360e-05 4.98 -1.105185151e-05 -5.624626226e-05 -8.375868315e-05 5.00 -9.728595550e-06 -4.950030939e-05 -7.371455900e-05 5.02 -8.567552211e-06 -4.358273228e-05 -6.490363722e-05 5.04 -7.548369362e-06 -3.838941940e-05 -5.717094703e-05 5.06 -6.653307377e-06 -3.382964652e-05 -5.038144251e-05 5.08 -5.866896169e-06 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-6.533427013e-07 -3.308686958e-06 -4.929584306e-06 5.46 -5.804399508e-07 -2.938906658e-06 -4.378749887e-06 5.48 -5.158579140e-07 -2.611397201e-06 -3.890872673e-06 5.50 -4.586254399e-07 -2.321217235e-06 -3.458594283e-06 5.52 -4.078872576e-07 -2.064015946e-06 -3.075435605e-06 5.54 -3.628898446e-07 -1.835960924e-06 -2.735677512e-06 5.56 -3.229690550e-07 -1.633675039e-06 -2.434315878e-06 5.58 -2.875392858e-07 -1.454181160e-06 -2.166903494e-06 5.60 -2.560839840e-07 -1.294853739e-06 -1.929530176e-06 5.62 -2.281473266e-07 -1.153376383e-06 -1.718746087e-06 5.64 -2.033269240e-07 -1.027704652e-06 -1.531506353e-06 5.66 -1.812674200e-07 -9.160334323e-07 -1.365122486e-06 5.68 -1.616548738e-07 -8.167683127e-07 -1.217219763e-06 5.70 -1.442118285e-07 -7.285004510e-07 -1.085699805e-06 5.72 -1.286929788e-07 -6.499845083e-07 -9.687077238e-07 5.74 -1.148813642e-07 -5.801192608e-07 -8.646032504e-07 5.76 -1.025850232e-07 -5.179305609e-07 -7.719353667e-07 5.78 -9.163405004e-08 -4.625563559e-07 -6.894199961e-07 5.80 -8.187800617e-08 -4.132335103e-07 -6.159203810e-07 5.82 -7.318364133e-08 -3.692862106e-07 -5.504298174e-07 5.84 -6.543288758e-08 -3.301157584e-07 -4.920564543e-07 5.86 -5.852109219e-08 -2.951915817e-07 -4.400099091e-07 5.88 -5.235546066e-08 -2.640433163e-07 -3.935894749e-07 5.90 -4.685368421e-08 -2.362538274e-07 -3.521737281e-07 5.92 -4.194272959e-08 -2.114530565e-07 -3.152113654e-07 5.94 -3.755777148e-08 -1.893125955e-07 -2.822131230e-07 5.96 -3.364125026e-08 -1.695408986e-07 -2.527446455e-07 5.98 -3.014204041e-08 -1.518790568e-07 -2.264201927e-07 6.00 -2.701471595e-08 -1.360970666e-07 -2.028970830e-07