# 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 = Ag3Mg # 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 3.254399661e+02 nan nan 1.16 2.991283255e+02 nan nan 1.18 2.750042467e+02 nan nan 1.20 2.528715449e+02 nan nan 1.22 2.325533785e+02 nan nan 1.24 2.138902216e+02 nan nan 1.26 1.967383087e+02 nan nan 1.28 1.809676407e+02 2.813777008e+02 3.230964493e+02 1.30 1.664601820e+02 2.604443962e+02 2.996180783e+02 1.32 1.531089251e+02 2.410987767e+02 2.778930776e+02 1.34 1.408170852e+02 2.232120388e+02 2.577802689e+02 1.36 1.294967724e+02 2.066665750e+02 2.391510636e+02 1.38 1.190676552e+02 1.913555049e+02 2.218877822e+02 1.40 1.094562568e+02 1.771815620e+02 2.058823357e+02 1.42 1.005956589e+02 1.640556917e+02 1.910358735e+02 1.44 9.242497139e+01 1.518958050e+02 1.772587665e+02 1.46 8.488845450e+01 1.406259961e+02 1.644699303e+02 1.48 7.793709066e+01 1.301763973e+02 1.525954444e+02 1.50 7.152709320e+01 1.204833904e+02 1.415672006e+02 1.52 6.561464897e+01 1.114895264e+02 1.313220847e+02 1.54 6.016000539e+01 1.031428226e+02 1.218016624e+02 1.56 5.512725446e+01 9.539577546e+01 1.129520682e+02 1.58 5.048382583e+01 8.820456453e+01 1.047237969e+02 1.60 4.619989362e+01 8.152869123e+01 9.707133569e+01 1.62 4.224788703e+01 7.533395239e+01 8.995275909e+01 1.64 3.860221420e+01 6.958644874e+01 8.332936511e+01 1.66 3.523918040e+01 6.425307869e+01 7.716754383e+01 1.68 3.213699473e+01 5.930304083e+01 7.143680284e+01 1.70 2.927572768e+01 5.470781448e+01 6.610625141e+01 1.72 2.663715496e+01 5.044117328e+01 6.114755989e+01 1.74 2.420451911e+01 4.647909905e+01 5.653476238e+01 1.76 2.196228466e+01 4.279957291e+01 5.224397076e+01 1.78 1.989594987e+01 3.938234027e+01 4.825306554e+01 1.80 1.799193506e+01 3.620873987e+01 4.454145433e+01 1.82 1.623752754e+01 3.326160186e+01 4.108989683e+01 1.84 1.462087015e+01 3.052515122e+01 3.788036038e+01 1.86 1.313097952e+01 2.798487739e+01 3.489588173e+01 1.88 1.175778815e+01 2.562736293e+01 3.212046469e+01 1.90 1.049217647e+01 2.344010277e+01 2.953905864e+01 1.92 9.325955991e+00 2.141134367e+01 2.713762483e+01 1.94 8.251790772e+00 1.952997427e+01 2.490323887e+01 1.96 7.263074081e+00 1.778548278e+01 2.282413185e+01 1.98 6.353798280e+00 1.616797842e+01 2.088962006e+01 2.00 5.518444402e+00 1.466824321e+01 1.908995067e+01 2.02 4.751898300e+00 1.327777134e+01 1.741613281e+01 2.04 4.049386654e+00 1.198876897e+01 1.585981064e+01 2.06 3.406424498e+00 1.079410696e+01 1.441319094e+01 2.08 2.818767535e+00 9.687239572e+00 1.306901145e+01 2.10 2.282372786e+00 8.662113797e+00 1.182052251e+01 2.12 1.793371542e+00 7.713092042e+00 1.066146440e+01 2.14 1.348058775e+00 6.834899236e+00 9.586029215e+00 2.16 9.428997762e-01 6.022594375e+00 8.588806385e+00 2.18 5.745496075e-01 5.271557998e+00 7.664717469e+00 2.20 2.398803217e-01 4.577488865e+00 6.808949896e+00 2.22 -6.399515815e-02 3.936400536e+00 6.016907992e+00 2.24 -3.397067814e-01 3.344614815e+00 5.284189871e+00 2.26 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-2.350286379e+00 -1.875499317e+00 -1.513895279e+00 2.64 -2.355205127e+00 -1.960319738e+00 -1.644365604e+00 2.66 -2.354293042e+00 -2.035562061e+00 -1.761778365e+00 2.68 -2.348155281e+00 -2.102093190e+00 -1.866939626e+00 2.70 -2.337408911e+00 -2.160660577e+00 -1.960597421e+00 2.72 -2.322658241e+00 -2.211961089e+00 -2.043454528e+00 2.74 -2.304471683e+00 -2.256792817e+00 -2.116180175e+00 2.76 -2.283362640e+00 -2.295372959e+00 -2.179421017e+00 2.78 -2.259778101e+00 -2.327837085e+00 -2.233811443e+00 2.80 -2.234096007e+00 -2.354350308e+00 -2.280031891e+00 2.82 -2.206628818e+00 -2.375103970e+00 -2.318991403e+00 2.84 -2.177632163e+00 -2.390312407e+00 -2.351103556e+00 2.86 -2.147315147e+00 -2.400208388e+00 -2.376744722e+00 2.88 -2.115860291e+00 -2.405039540e+00 -2.396350182e+00 2.90 -2.083425524e+00 -2.405077899e+00 -2.410393130e+00 2.92 -2.050116014e+00 -2.400616995e+00 -2.419360035e+00 2.94 -2.016029695e+00 -2.391954183e+00 -2.423725534e+00 2.96 -1.981259466e+00 -2.379391288e+00 -2.423931071e+00 2.98 -1.945895385e+00 -2.363237227e+00 -2.420384317e+00 3.00 -1.910024338e+00 -2.343810555e+00 -2.413450818e+00 3.02 -1.873729613e+00 -2.321440788e+00 -2.403439731e+00 3.04 -1.837080990e+00 -2.296467078e+00 -2.390611367e+00 3.06 -1.800118321e+00 -2.269234361e+00 -2.375188571e+00 3.08 -1.762881212e+00 -2.240084150e+00 -2.357367792e+00 3.10 -1.725414225e+00 -2.209344728e+00 -2.337328187e+00 3.12 -1.687766181e+00 -2.177319497e+00 -2.315238139e+00 3.14 -1.649989742e+00 -2.144285333e+00 -2.291259245e+00 3.16 -1.612141000e+00 -2.110481999e+00 -2.265548234e+00 3.18 -1.574278880e+00 -2.076080968e+00 -2.238257421e+00 3.20 -1.536464256e+00 -2.041217200e+00 -2.209534210e+00 3.22 -1.498758803e+00 -2.005995921e+00 -2.179528622e+00 3.24 -1.461223672e+00 -1.970499477e+00 -2.148384360e+00 3.26 -1.423918151e+00 -1.934794363e+00 -2.116213924e+00 3.28 -1.386898450e+00 -1.898937358e+00 -2.083125130e+00 3.30 -1.350216727e+00 -1.862980011e+00 -2.049221347e+00 3.32 -1.313920422e+00 -1.826962118e+00 -2.014601379e+00 3.34 -1.278051918e+00 -1.790904162e+00 -1.979359741e+00 3.36 -1.242648535e+00 -1.754830226e+00 -1.943587293e+00 3.38 -1.207742801e+00 -1.718769916e+00 -1.907372136e+00 3.40 -1.173362939e+00 -1.682757082e+00 -1.870795103e+00 3.42 -1.139533202e+00 -1.646828799e+00 -1.833918097e+00 3.44 -1.106275702e+00 -1.611024071e+00 -1.796804900e+00 3.46 -1.073609066e+00 -1.575383074e+00 -1.759526846e+00 3.48 -1.041550176e+00 -1.539946249e+00 -1.722162623e+00 3.50 -1.010113957e+00 -1.504753469e+00 -1.684797183e+00 3.52 -9.793132952e-01 -1.469843264e+00 -1.647521124e+00 3.54 -9.491587757e-01 -1.435252085e+00 -1.610426272e+00 3.56 -9.196583299e-01 -1.401013672e+00 -1.573603522e+00 3.58 -8.908168993e-01 -1.367158518e+00 -1.537138691e+00 3.60 -8.626361900e-01 -1.333713471e+00 -1.501108839e+00 3.62 -8.351145458e-01 -1.300701459e+00 -1.465579202e+00 3.64 -8.082469250e-01 -1.268141363e+00 -1.430601129e+00 3.66 -7.820249394e-01 -1.236048013e+00 -1.396211187e+00 3.68 -7.564369265e-01 -1.204432331e+00 -1.362431407e+00 3.70 -7.314680485e-01 -1.173301591e+00 -1.329270498e+00 3.72 -7.071004459e-01 -1.142659815e+00 -1.296725775e+00 3.74 -6.833134786e-01 -1.112508267e+00 -1.264785536e+00 3.76 -6.600840892e-01 -1.082846038e+00 -1.233431635e+00 3.78 -6.373873028e-01 -1.053670682e+00 -1.202642045e+00 3.80 -6.151968605e-01 -1.024978845e+00 -1.172393214e+00 3.82 -5.934859736e-01 -9.967668430e-01 -1.142662101e+00 3.84 -5.722281818e-01 -9.690311187e-01 -1.113427781e+00 3.86 -5.513983022e-01 -9.417685326e-01 -1.084672603e+00 3.88 -5.309734562e-01 -9.149764652e-01 -1.056382895e+00 3.90 -5.109341558e-01 -8.886527303e-01 -1.028549243e+00 3.92 -4.912653340e-01 -8.627952422e-01 -1.001166298e+00 3.94 -4.719577775e-01 -8.374021037e-01 -9.742329440e-01 3.96 -4.530085360e-01 -8.124706137e-01 -9.477508967e-01 3.98 -4.344220340e-01 -7.879974343e-01 -9.217246017e-01 4.00 -4.162102987e-01 -7.639782663e-01 -8.961603279e-01 4.02 -3.983927547e-01 -7.404077672e-01 -8.710654253e-01 4.04 -3.809953623e-01 -7.172795984e-01 -8.464476368e-01 4.06 -3.640490453e-01 -6.945865998e-01 -8.223144973e-01 4.08 -3.475874604e-01 -6.723210871e-01 -7.986728394e-01 4.10 -3.316442757e-01 -6.504749790e-01 -7.755284121e-01 4.12 -3.162502394e-01 -6.290415181e-01 -7.528856085e-01 4.14 -3.014303870e-01 -6.080139769e-01 -7.307472922e-01 4.16 -2.872017408e-01 -5.873876743e-01 -7.091147097e-01 4.18 -2.735717900e-01 -5.671603093e-01 -6.879874700e-01 4.20 -2.605379131e-01 -5.473326188e-01 -6.673635783e-01 4.22 -2.480877743e-01 -5.279089228e-01 -6.472395082e-01 4.24 -2.362005444e-01 -5.088974715e-01 -6.276103001e-01 4.26 -2.248487752e-01 -4.903105071e-01 -6.084696760e-01 4.28 -2.140006318e-01 -4.721639637e-01 -5.898101622e-01 4.30 -2.036222424e-01 -4.544767656e-01 -5.716232140e-01 4.32 -1.936799371e-01 -4.372697259e-01 -5.538993355e-01 4.34 -1.841422107e-01 -4.205641129e-01 -5.366281912e-01 4.36 -1.749811452e-01 -4.043800056e-01 -5.197987035e-01 4.38 -1.661741162e-01 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-6.143467552e-02 -1.881554788e-01 -2.645922398e-01 4.76 -5.815906142e-02 -1.798890653e-01 -2.533384723e-01 4.78 -5.504974514e-02 -1.717574205e-01 -2.421860995e-01 4.80 -5.209016873e-02 -1.637477055e-01 -2.311280950e-01 4.82 -4.926544575e-02 -1.558516595e-01 -2.201617301e-01 4.84 -4.656262245e-02 -1.480645935e-01 -2.092891842e-01 4.86 -4.397082617e-02 -1.403865066e-01 -1.985180539e-01 4.88 -4.148131752e-02 -1.328219616e-01 -1.878616979e-01 4.90 -3.908745691e-02 -1.253800523e-01 -1.773393513e-01 4.92 -3.678459416e-02 -1.180741849e-01 -1.669759480e-01 4.94 -3.456988877e-02 -1.109216422e-01 -1.568016038e-01 4.96 -3.244206602e-02 -1.039429165e-01 -1.468507367e-01 4.98 -3.040111917e-02 -9.716081964e-02 -1.371608392e-01 5.00 -2.844797102e-02 -9.059940664e-02 -1.277709525e-01 5.02 -2.658411282e-02 -8.428277451e-02 -1.187199366e-01 5.04 -2.481124176e-02 -7.823381995e-02 -1.100446614e-01 5.06 -2.313091998e-02 -7.247305125e-02 -1.017782624e-01 5.08 -2.154427688e-02 -6.701755107e-02 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-1.684194455e-02 -2.316334723e-02 5.46 -5.663547416e-03 -1.580780077e-02 -2.179638542e-02 5.48 -5.273590001e-03 -1.486181440e-02 -2.055350125e-02 5.50 -4.902504467e-03 -1.399494732e-02 -1.942049015e-02 5.52 -4.548596668e-03 -1.319917966e-02 -1.838472943e-02 5.54 -4.210559706e-03 -1.246739354e-02 -1.743493818e-02 5.56 -3.887448429e-03 -1.179326006e-02 -1.656148326e-02 5.58 -3.578646175e-03 -1.117113472e-02 -1.575555700e-02 5.60 -3.283823356e-03 -1.059596454e-02 -1.500952904e-02 5.62 -3.002888132e-03 -1.006320828e-02 -1.431670053e-02 5.64 -2.735930329e-03 -9.568769829e-03 -1.367119333e-02 5.66 -2.483160732e-03 -9.108943688e-03 -1.306784928e-02 5.68 -2.244848805e-03 -8.680370771e-03 -1.250213933e-02 5.70 -2.021262533e-03 -8.280002465e-03 -1.197008246e-02 5.72 -1.812614204e-03 -7.905070992e-03 -1.146817378e-02 5.74 -1.619015627e-03 -7.553064293e-03 -1.099332117e-02 5.76 -1.440445384e-03 -7.221704060e-03 -1.054278982e-02 5.78 -1.276729501e-03 -6.908925916e-03 -1.011415378e-02 5.80 -1.127535551e-03 -6.612861118e-03 -9.705254036e-03 5.82 -9.923789288e-04 -6.331819428e-03 -9.314162345e-03 5.84 -8.706390489e-04 -6.064273037e-03 -8.939150201e-03 5.86 -7.615826229e-04 -5.808841536e-03 -8.578662514e-03 5.88 -6.643910309e-04 -5.564278051e-03 -8.231295452e-03 5.90 -5.781889968e-04 -5.329456639e-03 -7.895778106e-03 5.92 -5.020722546e-04 -5.103361087e-03 -7.570957593e-03 5.94 -4.351325045e-04 -4.885075222e-03 -7.255787361e-03 5.96 -3.764785890e-04 -4.673774800e-03 -6.949318406e-03 5.98 -3.252533873e-04 -4.468721034e-03 -6.650693211e-03 6.00 -2.806463936e-04 -4.269255735e-03 -6.359142183e-03