# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cr-Ni-Co-W # implementation = 2025--Sharifi-H--Cr-Ni-Co-W--LAMMPS--ipr1 # composition = Co3W # 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 2025-07-01 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 1.061865307e+03 nan nan 0.92 9.607681084e+02 nan nan 0.94 8.639190893e+02 nan nan 0.96 7.723507618e+02 nan nan 0.98 6.871570398e+02 1.159947818e+03 nan 1.00 6.088776542e+02 1.056937427e+03 nan 1.02 5.376630191e+02 9.630052346e+02 1.277543826e+03 1.04 4.733968735e+02 8.755512904e+02 1.179971168e+03 1.06 4.156915007e+02 7.934687604e+02 1.086364035e+03 1.08 3.637052980e+02 7.158950248e+02 9.956740517e+02 1.10 3.171212610e+02 6.432875040e+02 9.088839491e+02 1.12 2.756281129e+02 5.760236515e+02 8.268809237e+02 1.14 2.388599575e+02 5.142292955e+02 7.501805124e+02 1.16 2.064246605e+02 4.578509786e+02 6.790224139e+02 1.18 1.779239859e+02 4.067112379e+02 6.134451142e+02 1.20 1.529674748e+02 3.605504336e+02 5.533435486e+02 1.22 1.311816682e+02 3.190581146e+02 4.985133876e+02 1.24 1.122158846e+02 2.818962490e+02 4.486847652e+02 1.26 9.574548756e+01 2.487162014e+02 4.035477713e+02 1.28 8.147334712e+01 2.191708900e+02 3.627714806e+02 1.30 6.913002157e+01 1.929232617e+02 3.260179510e+02 1.32 5.847306215e+01 1.696519797e+02 2.929523288e+02 1.34 4.928572596e+01 1.490550059e+02 2.632499425e+02 1.36 4.137531491e+01 1.308516227e+02 2.366011019e+02 1.38 3.457128072e+01 1.147833049e+02 2.127141440e+02 1.40 2.872320394e+01 1.006137657e+02 1.913171692e+02 1.42 2.369872815e+01 8.812842163e+01 1.721588042e+02 1.44 1.938152944e+01 7.713346109e+01 1.550082510e+02 1.46 1.566941381e+01 6.745466123e+01 1.396548313e+02 1.48 1.247264675e+01 5.893605593e+01 1.259071766e+02 1.50 9.712619995e+00 5.143853147e+01 1.135921973e+02 1.52 7.320924242e+00 4.483840995e+01 1.025539196e+02 1.54 5.238830911e+00 3.902605346e+01 9.265224645e+01 1.56 3.417091836e+00 3.390451744e+01 8.376169914e+01 1.58 1.815884645e+00 2.938826856e+01 7.577017545e+01 1.60 4.046653806e-01 2.540197124e+01 6.857774445e+01 1.62 -8.383144905e-01 2.187934963e+01 6.209550094e+01 1.64 -1.927012325e+00 1.876212693e+01 5.624448706e+01 1.66 -2.869190893e+00 1.599904724e+01 5.095468655e+01 1.68 -3.668599380e+00 1.354499467e+01 4.616409823e+01 1.70 -4.327484212e+00 1.136022433e+01 4.181788498e+01 1.72 -4.848869762e+00 9.409724702e+00 3.786759733e+01 1.74 -5.238373363e+00 7.662726648e+00 3.427046831e+01 1.76 -5.505304460e+00 6.092359148e+00 3.098877565e+01 1.78 -5.662905310e+00 4.675407256e+00 2.798926823e+01 1.80 -5.727778262e+00 3.392145200e+00 2.524265182e+01 1.82 -5.718711463e+00 2.226274216e+00 2.272312813e+01 1.84 -5.655204191e+00 1.164816853e+00 2.040798432e+01 1.86 -5.556001023e+00 1.979261244e-01 1.827722731e+01 1.88 -5.437884198e+00 -6.813915098e-01 1.631325863e+01 1.90 -5.314927301e+00 -1.477712615e+00 1.450058664e+01 1.92 -5.198159193e+00 -2.193791959e+00 1.282557160e+01 1.94 -5.095509520e+00 -2.831272434e+00 1.127620042e+01 1.96 -5.012029882e+00 -3.391435862e+00 9.841887705e+00 1.98 -4.950294526e+00 -3.875903729e+00 8.513300150e+00 2.00 -4.910884261e+00 -4.287196272e+00 7.282203476e+00 2.02 -4.892879725e+00 -4.629082041e+00 6.141327154e+00 2.04 -4.894317878e+00 -4.906690741e+00 5.084234716e+00 2.06 -4.912595566e+00 -5.126427903e+00 4.105152866e+00 2.08 -4.944786321e+00 -5.295677353e+00 3.198849342e+00 2.10 -4.987877291e+00 -5.422357871e+00 2.360567202e+00 2.12 -5.038937331e+00 -5.514475928e+00 1.585922028e+00 2.14 -5.095228812e+00 -5.579710974e+00 8.708136272e-01 2.16 -5.154275877e+00 -5.625051207e+00 2.114012903e-01 2.18 -5.213899635e+00 -5.656542667e+00 -3.959131846e-01 2.20 -5.272229293e+00 -5.679157934e+00 -9.545013133e-01 2.22 -5.327696606e+00 -5.696773873e+00 -1.467522652e+00 2.24 -5.379019395e+00 -5.712231634e+00 -1.937938502e+00 2.26 -5.425178486e+00 -5.727451154e+00 -2.368524705e+00 2.28 -5.465391243e+00 -5.743577460e+00 -2.761883546e+00 2.30 -5.499083928e+00 -5.761142144e+00 -3.120454867e+00 2.32 -5.525864418e+00 -5.780204706e+00 -3.446526430e+00 2.34 -5.545496254e+00 -5.800483244e+00 -3.742243584e+00 2.36 -5.557881642e+00 -5.821469314e+00 -4.009618285e+00 2.38 -5.563048090e+00 -5.842521538e+00 -4.250537531e+00 2.40 -5.561111270e+00 -5.862938635e+00 -4.466771219e+00 2.42 -5.552255356e+00 -5.882013988e+00 -4.659979502e+00 2.44 -5.536718554e+00 -5.899074429e+00 -4.831719657e+00 2.46 -5.514780608e+00 -5.913506114e+00 -4.983452502e+00 2.48 -5.486752113e+00 -5.924770206e+00 -5.116548400e+00 2.50 -5.452965449e+00 -5.932410788e+00 -5.232292875e+00 2.52 -5.413767007e+00 -5.936056654e+00 -5.331891261e+00 2.54 -5.369510456e+00 -5.935418417e+00 -5.416472078e+00 2.56 -5.320552026e+00 -5.930285359e+00 -5.487093757e+00 2.58 -5.267246376e+00 -5.920519518e+00 -5.544749536e+00 2.60 -5.209943113e+00 -5.906048423e+00 -5.590371417e+00 2.62 -5.148984033e+00 -5.886857546e+00 -5.624834042e+00 2.64 -5.084700958e+00 -5.862987680e+00 -5.648965712e+00 2.66 -5.017414089e+00 -5.834528544e+00 -5.663553095e+00 2.68 -4.947430794e+00 -5.801604222e+00 -5.669332812e+00 2.70 -4.875044749e+00 -5.764366436e+00 -5.666993770e+00 2.72 -4.800535388e+00 -5.722989003e+00 -5.657180187e+00 2.74 -4.724156388e+00 -5.677662887e+00 -5.640494427e+00 2.76 -4.646071763e+00 -5.628591822e+00 -5.617499648e+00 2.78 -4.566636176e+00 -5.575988498e+00 -5.588722284e+00 2.80 -4.486147982e+00 -5.520071252e+00 -5.554654361e+00 2.82 -4.404715546e+00 -5.461061246e+00 -5.515755669e+00 2.84 -4.322532317e+00 -5.399180064e+00 -5.472455787e+00 2.86 -4.239772035e+00 -5.334647702e+00 -5.425155989e+00 2.88 -4.156587736e+00 -5.267680902e+00 -5.374231022e+00 2.90 -4.073180105e+00 -5.198491783e+00 -5.320030768e+00 2.92 -3.989675189e+00 -5.127286751e+00 -5.262881808e+00 2.94 -3.906199294e+00 -5.054265628e+00 -5.203088884e+00 2.96 -3.822874570e+00 -4.979620988e+00 -5.140936263e+00 2.98 -3.739813202e+00 -4.903537667e+00 -5.076689027e+00 3.00 -3.657117965e+00 -4.826192416e+00 -5.010594270e+00 3.02 -3.574882770e+00 -4.747753645e+00 -4.942882225e+00 3.04 -3.493193190e+00 -4.668380847e+00 -4.873767324e+00 3.06 -3.412126977e+00 -4.588225498e+00 -4.803449187e+00 3.08 -3.331754554e+00 -4.507433009e+00 -4.732113548e+00 3.10 -3.252139495e+00 -4.426136928e+00 -4.659933131e+00 3.12 -3.173338981e+00 -4.344464101e+00 -4.587068461e+00 3.14 -3.095404234e+00 -4.262533516e+00 -4.513668635e+00 3.16 -3.018380936e+00 -4.180456512e+00 -4.439872037e+00 3.18 -2.942309626e+00 -4.098337045e+00 -4.365807016e+00 3.20 -2.867226074e+00 -4.016271979e+00 -4.291592515e+00 3.22 -2.793161641e+00 -3.934351384e+00 -4.217338667e+00 3.24 -2.720143614e+00 -3.852658851e+00 -4.143147349e+00 3.26 -2.648195529e+00 -3.771271816e+00 -4.069112710e+00 3.28 -2.577337471e+00 -3.690261880e+00 -3.995321658e+00 3.30 -2.507586361e+00 -3.609695147e+00 -3.921854322e+00 3.32 -2.438956225e+00 -3.529632546e+00 -3.848784487e+00 3.34 -2.371458444e+00 -3.450130168e+00 -3.776179999e+00 3.36 -2.305102000e+00 -3.371239589e+00 -3.704103149e+00 3.38 -2.239893693e+00 -3.293008198e+00 -3.632611031e+00 3.40 -2.175838356e+00 -3.215479518e+00 -3.561755881e+00 3.42 -2.112939055e+00 -3.138693528e+00 -3.491585393e+00 3.44 -2.051197271e+00 -3.062686968e+00 -3.422143021e+00 3.46 -1.990613079e+00 -2.987493656e+00 -3.353468254e+00 3.48 -1.931185314e+00 -2.913144781e+00 -3.285584670e+00 3.50 -1.872911722e+00 -2.839669206e+00 -3.218177744e+00 3.52 -1.815789114e+00 -2.767093747e+00 -3.150588779e+00 3.54 -1.759813496e+00 -2.695443458e+00 -3.084333318e+00 3.56 -1.704980210e+00 -2.624741893e+00 -3.019501119e+00 3.58 -1.651284052e+00 -2.555011370e+00 -2.955578331e+00 3.60 -1.598719393e+00 -2.486273207e+00 -2.892582339e+00 3.62 -1.547280293e+00 -2.418547955e+00 -2.830528265e+00 3.64 -1.496960603e+00 -2.351855608e+00 -2.769429135e+00 3.66 -1.447754068e+00 -2.286215788e+00 -2.709296030e+00 3.68 -1.399654418e+00 -2.221647920e+00 -2.650138224e+00 3.70 -1.352655454e+00 -2.158171362e+00 -2.591963326e+00 3.72 -1.306751118e+00 -2.095805520e+00 -2.534777398e+00 3.74 -1.261935564e+00 -2.034569921e+00 -2.478585080e+00 3.76 -1.218203205e+00 -1.974484253e+00 -2.423389701e+00 3.78 -1.175548758e+00 -1.915568361e+00 -2.369193380e+00 3.80 -1.133967263e+00 -1.857842200e+00 -2.315997129e+00 3.82 -1.093454097e+00 -1.801325747e+00 -2.263800943e+00 3.84 -1.054004963e+00 -1.746038862e+00 -2.212603889e+00 3.86 -1.015615865e+00 -1.692001100e+00 -2.162404188e+00 3.88 -9.782830649e-01 -1.639231487e+00 -2.113199287e+00 3.90 -9.420030185e-01 -1.587748238e+00 -2.064985937e+00 3.92 -9.067722961e-01 -1.537568453e+00 -2.017760257e+00 3.94 -8.725874841e-01 -1.488707769e+00 -1.971517796e+00 3.96 -8.394450702e-01 -1.441179998e+00 -1.926253591e+00 3.98 -8.073413149e-01 -1.394996743e+00 -1.881962224e+00 4.00 -7.762721085e-01 -1.350167018e+00 -1.838637867e+00 4.02 -7.447438218e-01 -1.306696880e+00 -1.796274333e+00 4.04 -7.077550099e-01 -1.264589084e+00 -1.754865114e+00 4.06 -1.085762532e+00 -1.223842777e+00 -1.714403418e+00 4.08 -1.029919622e+00 -1.184453244e+00 -1.674882208e+00 4.10 -1.000826340e+00 -1.146411717e+00 -1.636294225e+00 4.12 -9.744872627e-01 -1.109705257e+00 -1.598632019e+00 4.14 -9.487844408e-01 -1.074316722e+00 -1.561887965e+00 4.16 -9.237059021e-01 -1.040224811e+00 -1.526054286e+00 4.18 -8.992397184e-01 -1.007404202e+00 -1.491123056e+00 4.20 -8.753740177e-01 -9.758257710e-01 -1.457086217e+00 4.22 -8.520969959e-01 -9.454568900e-01 -1.423935571e+00 4.24 -8.293969269e-01 -9.162617945e-01 -1.391662782e+00 4.26 -8.072621718e-01 -8.876863544e-01 -1.360259364e+00 4.28 -7.856811878e-01 -8.498460942e-01 -1.329716662e+00 4.30 -7.646425353e-01 -7.812354336e-01 -1.300025827e+00 4.32 -7.441348851e-01 -6.896705535e-01 -1.271177788e+00 4.34 -7.241470245e-01 -6.528819224e-01 -1.243163203e+00 4.36 -7.046678628e-01 -6.360003935e-01 -1.215972410e+00 4.38 -6.856864367e-01 -6.195420627e-01 -1.189595364e+00 4.40 -6.660096431e-01 -6.034963453e-01 -1.164021562e+00 4.42 -6.246955093e-01 -5.878533423e-01 -1.139239952e+00 4.44 -5.075423248e-01 -5.726037037e-01 -1.115238830e+00 4.46 -2.927898961e-01 -5.577385175e-01 -1.092005718e+00 4.48 -2.013314695e-01 -5.432492224e-01 -1.069527232e+00 4.50 -1.966439849e-01 -5.291275392e-01 -1.047788923e+00 4.52 -1.920717308e-01 -5.153654205e-01 -1.026775107e+00 4.54 -1.876121162e-01 -5.019550126e-01 -1.006468677e+00 4.56 -1.832625930e-01 -4.888886291e-01 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-3.036903223e-01 -7.147934342e-01 4.94 -1.140723566e-01 -2.835303078e-01 -6.753986604e-01 4.96 -9.434061619e-02 -2.265301229e-01 -5.538541459e-01 4.98 -5.064531534e-02 -1.109345026e-01 -2.886137378e-01 5.00 -3.207677243e-23 -7.198878439e-23 -8.152040903e-23 5.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 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