# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Starikov-S-Grigorev-P-Lee-S-H-et-al--W-Mo-Nb-Zr-Ti-Ta # implementation = 2026--Starikov-S--W-Mo-Nb-Zr-Ti-Ta--LAMMPS--ipr1 # composition = Mo2NbTi # 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 2025-12-17 r L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 1.944188829e+03 1.944188829e+03 1.08 1.720148759e+03 1.720148759e+03 1.10 1.523577332e+03 1.523577332e+03 1.12 1.350414969e+03 1.350414969e+03 1.14 1.197476342e+03 1.197476342e+03 1.16 1.062368473e+03 1.062368473e+03 1.18 9.430966694e+02 9.430966694e+02 1.20 8.375292387e+02 8.375292387e+02 1.22 7.442722336e+02 7.442722336e+02 1.24 6.617989049e+02 6.617989049e+02 1.26 5.887005715e+02 5.887005715e+02 1.28 5.239428922e+02 5.239428922e+02 1.30 4.665153495e+02 4.665153495e+02 1.32 4.155367456e+02 4.155367456e+02 1.34 3.702402856e+02 3.702402856e+02 1.36 3.299448546e+02 3.299448546e+02 1.38 2.942729042e+02 2.942729042e+02 1.40 2.626457640e+02 2.626457640e+02 1.42 2.344735676e+02 2.344735676e+02 1.44 2.093827252e+02 2.093827252e+02 1.46 1.869645560e+02 1.869645560e+02 1.48 1.669620481e+02 1.669620481e+02 1.50 1.491559651e+02 1.491559651e+02 1.52 1.331885628e+02 1.331885628e+02 1.54 1.188683935e+02 1.188683935e+02 1.56 1.060669803e+02 1.060669803e+02 1.58 9.460569786e+01 9.460569786e+01 1.60 8.445101484e+01 8.445101484e+01 1.62 7.538213305e+01 7.538213305e+01 1.64 6.722587540e+01 6.722587540e+01 1.66 5.986715536e+01 5.986715536e+01 1.68 5.320867557e+01 5.320867557e+01 1.70 4.720072403e+01 4.720072403e+01 1.72 4.182812446e+01 4.182812446e+01 1.74 3.705943015e+01 3.705943015e+01 1.76 3.284466430e+01 3.284466430e+01 1.78 2.913849459e+01 2.913849459e+01 1.80 2.589161223e+01 2.589161223e+01 1.82 2.298932648e+01 2.298932648e+01 1.84 2.041181065e+01 2.041181065e+01 1.86 1.812553649e+01 1.812553649e+01 1.88 1.609024925e+01 1.609024925e+01 1.90 1.428068355e+01 1.428068355e+01 1.92 1.263608348e+01 1.263608348e+01 1.94 1.114975747e+01 1.114975747e+01 1.96 9.774511773e+00 9.774511773e+00 1.98 8.516764681e+00 8.516764681e+00 2.00 7.398031887e+00 7.398031887e+00 2.02 6.349124212e+00 6.349124212e+00 2.04 5.476845409e+00 5.476845409e+00 2.06 4.676358154e+00 4.676358154e+00 2.08 3.915725065e+00 3.915725065e+00 2.10 3.239977181e+00 3.239977181e+00 2.12 2.660374519e+00 2.660374519e+00 2.14 2.158888673e+00 2.158888673e+00 2.16 1.351479727e+00 1.351479727e+00 2.18 6.632438778e-01 6.632438778e-01 2.20 1.195359035e-01 1.195359035e-01 2.22 -5.284234196e-01 -5.284234196e-01 2.24 -1.064399026e+00 -1.064399026e+00 2.26 -1.534993095e+00 -1.534993095e+00 2.28 -1.977107931e+00 -1.977107931e+00 2.30 -2.376211400e+00 -2.376211400e+00 2.32 -2.757168741e+00 -2.757168741e+00 2.34 -3.127454771e+00 -3.127454771e+00 2.36 -3.481674718e+00 -3.481674718e+00 2.38 -3.808886301e+00 -3.808886301e+00 2.40 -4.107193306e+00 -4.107193306e+00 2.42 -4.382650456e+00 -4.382650456e+00 2.44 -4.633711151e+00 -4.633711151e+00 2.46 -4.859292574e+00 -4.859292574e+00 2.48 -5.059666576e+00 -5.059666576e+00 2.50 -5.236399520e+00 -5.236399520e+00 2.52 -5.401613092e+00 -5.401613092e+00 2.54 -5.556623881e+00 -5.556623881e+00 2.56 -5.703753921e+00 -5.703753921e+00 2.58 -5.844948180e+00 -5.844948180e+00 2.60 -5.983090008e+00 -5.983090008e+00 2.62 -6.115709364e+00 -6.115709364e+00 2.64 -6.239847323e+00 -6.239847323e+00 2.66 -6.347444869e+00 -6.347444869e+00 2.68 -6.435665104e+00 -6.435665104e+00 2.70 -6.502756353e+00 -6.502756353e+00 2.72 -6.551027396e+00 -6.551027396e+00 2.74 -6.584695566e+00 -6.584695566e+00 2.76 -6.605867691e+00 -6.605867691e+00 2.78 -6.613980401e+00 -6.613980401e+00 2.80 -6.607627637e+00 -6.607627637e+00 2.82 -6.585279562e+00 -6.585279562e+00 2.84 -6.547289682e+00 -6.547289682e+00 2.86 -6.499261857e+00 -6.499261857e+00 2.88 -6.451279323e+00 -6.451279323e+00 2.90 -6.404583754e+00 -6.404583754e+00 2.92 -6.354240198e+00 -6.354240198e+00 2.94 -6.305045681e+00 -6.305045681e+00 2.96 -6.251918822e+00 -6.251918822e+00 2.98 -6.194689607e+00 -6.194689607e+00 3.00 -6.137449347e+00 -6.137449347e+00 3.02 -6.078065387e+00 -6.078065387e+00 3.04 -6.010745792e+00 -6.010745792e+00 3.06 -5.933720132e+00 -5.933720132e+00 3.08 -5.854350053e+00 -5.854350053e+00 3.10 -5.782123404e+00 -5.782123404e+00 3.12 -5.710392241e+00 -5.710392241e+00 3.14 -5.626173803e+00 -5.626173803e+00 3.16 -5.524611131e+00 -5.524611131e+00 3.18 -5.397856048e+00 -5.397856048e+00 3.20 -5.253466861e+00 -5.253466861e+00 3.22 -5.123311071e+00 -5.123311071e+00 3.24 -5.044263152e+00 -5.044263152e+00 3.26 -4.989998981e+00 -4.989998981e+00 3.28 -4.932373713e+00 -4.932373713e+00 3.30 -4.866853851e+00 -4.866853851e+00 3.32 -4.790997630e+00 -4.790997630e+00 3.34 -4.704221010e+00 -4.704221010e+00 3.36 -4.606153840e+00 -4.606153840e+00 3.38 -4.495280859e+00 -4.495280859e+00 3.40 -4.370440707e+00 -4.370440707e+00 3.42 -4.233310233e+00 -4.233310233e+00 3.44 -4.089209656e+00 -4.089209656e+00 3.46 -3.945509150e+00 -3.945509150e+00 3.48 -3.808070031e+00 -3.808070031e+00 3.50 -3.678143473e+00 -3.678143473e+00 3.52 -3.554514985e+00 -3.554514985e+00 3.54 -3.435115309e+00 -3.435115309e+00 3.56 -3.316964426e+00 -3.316964426e+00 3.58 -3.199757061e+00 -3.199757061e+00 3.60 -3.086293570e+00 -3.086293570e+00 3.62 -2.980464110e+00 -2.980464110e+00 3.64 -2.886262515e+00 -2.886262515e+00 3.66 -2.805174889e+00 -2.805174889e+00 3.68 -2.732837635e+00 -2.732837635e+00 3.70 -2.662427995e+00 -2.662427995e+00 3.72 -2.587013069e+00 -2.587013069e+00 3.74 -2.506535957e+00 -2.506535957e+00 3.76 -2.431324174e+00 -2.431324174e+00 3.78 -2.372575108e+00 -2.372575108e+00 3.80 -2.340484855e+00 -2.340484855e+00 3.82 -2.314313199e+00 -2.314313199e+00 3.84 -2.281915737e+00 -2.281915737e+00 3.86 -2.242557554e+00 -2.242557554e+00 3.88 -2.195868984e+00 -2.195868984e+00 3.90 -2.141996164e+00 -2.141996164e+00 3.92 -2.081308590e+00 -2.081308590e+00 3.94 -2.015110060e+00 -2.015110060e+00 3.96 -1.945722549e+00 -1.945722549e+00 3.98 -1.875095536e+00 -1.875095536e+00 4.00 -1.805053756e+00 -1.805053756e+00 4.02 -1.737648803e+00 -1.737648803e+00 4.04 -1.675211178e+00 -1.675211178e+00 4.06 -1.620850079e+00 -1.620850079e+00 4.08 -1.576185416e+00 -1.576185416e+00 4.10 -1.540612392e+00 -1.540612392e+00 4.12 -1.513051210e+00 -1.513051210e+00 4.14 -1.491891229e+00 -1.491891229e+00 4.16 -1.475351179e+00 -1.475351179e+00 4.18 -1.461603160e+00 -1.461603160e+00 4.20 -1.449035863e+00 -1.449035863e+00 4.22 -1.437732886e+00 -1.437732886e+00 4.24 -1.427943291e+00 -1.427943291e+00 4.26 -1.419525285e+00 -1.419525285e+00 4.28 -1.412269661e+00 -1.412269661e+00 4.30 -1.405901405e+00 -1.405901405e+00 4.32 -1.400082374e+00 -1.400082374e+00 4.34 -1.394438423e+00 -1.394438423e+00 4.36 -1.388913030e+00 -1.388913030e+00 4.38 -1.383606494e+00 -1.383606494e+00 4.40 -1.378626852e+00 -1.378626852e+00 4.42 -1.374093905e+00 -1.374093905e+00 4.44 -1.370136024e+00 -1.370136024e+00 4.46 -1.366734127e+00 -1.366734127e+00 4.48 -1.363499575e+00 -1.363499575e+00 4.50 -1.360053664e+00 -1.360053664e+00 4.52 -1.356031683e+00 -1.356031683e+00 4.54 -1.351052931e+00 -1.351052931e+00 4.56 -1.344691373e+00 -1.344691373e+00 4.58 -1.336346334e+00 -1.336346334e+00 4.60 -1.325156110e+00 -1.325156110e+00 4.62 -1.310366188e+00 -1.310366188e+00 4.64 -1.291306165e+00 -1.291306165e+00 4.66 -1.267296151e+00 -1.267296151e+00 4.68 -1.237725881e+00 -1.237725881e+00 4.70 -1.202483165e+00 -1.202483165e+00 4.72 -1.162093476e+00 -1.162093476e+00 4.74 -1.117530470e+00 -1.117530470e+00 4.76 -1.070435675e+00 -1.070435675e+00 4.78 -1.022746337e+00 -1.022746337e+00 4.80 -9.765247935e-01 -9.765247935e-01 4.82 -9.339621972e-01 -9.339621972e-01 4.84 -8.972263840e-01 -8.972263840e-01 4.86 -8.683251660e-01 -8.683251660e-01 4.88 -8.481740168e-01 -8.481740168e-01 4.90 -8.356561371e-01 -8.356561371e-01 4.92 -8.292600353e-01 -8.292600353e-01 4.94 -8.268773502e-01 -8.268773502e-01 4.96 -8.262447698e-01 -8.262447698e-01 4.98 -8.251710697e-01 -8.251710697e-01 5.00 -8.215755736e-01 -8.215755736e-01 5.02 -8.147458860e-01 -8.147458860e-01 5.04 -8.054028146e-01 -8.054028146e-01 5.06 -7.948012022e-01 -7.948012022e-01 5.08 -7.842933780e-01 -7.842933780e-01 5.10 -7.752230981e-01 -7.752230981e-01 5.12 -7.689017697e-01 -7.689017697e-01 5.14 -7.664289663e-01 -7.664289663e-01 5.16 -7.672556348e-01 -7.672556348e-01 5.18 -7.692825499e-01 -7.692825499e-01 5.20 -7.704052615e-01 -7.704052615e-01 5.22 -7.686785518e-01 -7.686785518e-01 5.24 -7.623060783e-01 -7.623060783e-01 5.26 -7.496712531e-01 -7.496712531e-01 5.28 -7.314098376e-01 -7.314098376e-01 5.30 -7.105974585e-01 -7.105974585e-01 5.32 -6.903782181e-01 -6.903782181e-01 5.34 -6.738728925e-01 -6.738728925e-01 5.36 -6.641912567e-01 -6.641912567e-01 5.38 -6.614513351e-01 -6.614513351e-01 5.40 -6.564186922e-01 -6.564186922e-01 5.42 -6.481467574e-01 -6.481467574e-01 5.44 -6.370985555e-01 -6.370985555e-01 5.46 -6.237349926e-01 -6.237349926e-01 5.48 -6.084918271e-01 -6.084918271e-01 5.50 -5.917951018e-01 -5.917951018e-01 5.52 -5.740752841e-01 -5.740752841e-01 5.54 -5.557921281e-01 -5.557921281e-01 5.56 -5.375847187e-01 -5.375847187e-01 5.58 -5.203067122e-01 -5.203067122e-01 5.60 -5.049673927e-01 -5.049673927e-01 5.62 -4.926838265e-01 -4.926838265e-01 5.64 -4.845820328e-01 -4.845820328e-01 5.66 -4.816538967e-01 -4.816538967e-01 5.68 -4.842168569e-01 -4.842168569e-01 5.70 -4.906877565e-01 -4.906877565e-01 5.72 -4.991467535e-01 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