# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2024--Huang-S-Xiong-Y-Ma-S-et-al--Ni-Al-Co-Ti # implementation = 2024--Huang-S--Ni-Al-Co-Ti--LAMMPS--ipr1 # composition = Al2CoTi # 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 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 4.891593169e+02 4.891593169e+02 1.00 4.491173113e+02 4.491173113e+02 1.02 4.118810232e+02 4.118810232e+02 1.04 3.774577539e+02 3.774577539e+02 1.06 3.457790012e+02 3.457790012e+02 1.08 3.167265827e+02 3.167265827e+02 1.10 2.901518197e+02 2.901518197e+02 1.12 2.658894319e+02 2.658894319e+02 1.14 2.437674443e+02 2.437674443e+02 1.16 2.236140967e+02 2.236140967e+02 1.18 2.052625149e+02 2.052625149e+02 1.20 1.885537304e+02 1.885537304e+02 1.22 1.733384902e+02 1.733384902e+02 1.24 1.594781964e+02 1.594781964e+02 1.26 1.468452301e+02 1.468452301e+02 1.28 1.353229132e+02 1.353229132e+02 1.30 1.248798282e+02 1.248798282e+02 1.32 1.157757352e+02 1.157757352e+02 1.34 1.078155118e+02 1.078155118e+02 1.36 1.007752552e+02 1.007752552e+02 1.38 9.447369580e+01 9.447369580e+01 1.40 8.876540308e+01 8.876540308e+01 1.42 8.353479159e+01 8.353479159e+01 1.44 7.869092846e+01 7.869092846e+01 1.46 7.416307922e+01 7.416307922e+01 1.48 6.989690662e+01 6.989690662e+01 1.50 6.585125330e+01 6.585125330e+01 1.52 6.199544140e+01 6.199544140e+01 1.54 5.830701907e+01 5.830701907e+01 1.56 5.476989867e+01 5.476989867e+01 1.58 5.137283115e+01 5.137283115e+01 1.60 4.810816686e+01 4.810816686e+01 1.62 4.497086127e+01 4.497086127e+01 1.64 4.195768598e+01 4.195768598e+01 1.66 3.906661166e+01 3.906661166e+01 1.68 3.629633391e+01 3.629633391e+01 1.70 3.364591622e+01 3.364591622e+01 1.72 3.111452873e+01 3.111452873e+01 1.74 2.870126380e+01 2.870126380e+01 1.76 2.640501227e+01 2.640501227e+01 1.78 2.422436554e+01 2.422436554e+01 1.80 2.215753376e+01 2.215753376e+01 1.82 2.020233757e+01 2.020233757e+01 1.84 1.835623111e+01 1.835623111e+01 1.86 1.661633764e+01 1.661633764e+01 1.88 1.497949333e+01 1.497949333e+01 1.90 1.344229538e+01 1.344229538e+01 1.92 1.200115170e+01 1.200115170e+01 1.94 1.065233016e+01 1.065233016e+01 1.96 9.392005572e+00 9.392005572e+00 1.98 8.216299901e+00 8.216299901e+00 2.00 7.121300777e+00 7.121300777e+00 2.02 6.103061320e+00 6.103061320e+00 2.04 5.157629752e+00 5.157629752e+00 2.06 4.281086460e+00 4.281086460e+00 2.08 3.469575736e+00 3.469575736e+00 2.10 2.719332327e+00 2.719332327e+00 2.12 2.026703181e+00 2.026703181e+00 2.14 1.388164808e+00 1.388164808e+00 2.16 8.003366496e-01 8.003366496e-01 2.18 2.599909409e-01 2.599909409e-01 2.20 -2.359405838e-01 -2.359405838e-01 2.22 -6.903627034e-01 -6.903627034e-01 2.24 -1.106015050e+00 -1.106015050e+00 2.26 -1.485472488e+00 -1.485472488e+00 2.28 -1.831147152e+00 -1.831147152e+00 2.30 -2.145291881e+00 -2.145291881e+00 2.32 -2.430006830e+00 -2.430006830e+00 2.34 -2.687258884e+00 -2.687258884e+00 2.36 -2.918897719e+00 -2.918897719e+00 2.38 -3.126662850e+00 -3.126662850e+00 2.40 -3.312189799e+00 -3.312189799e+00 2.42 -3.477015949e+00 -3.477015949e+00 2.44 -3.622586081e+00 -3.622586081e+00 2.46 -3.750257590e+00 -3.750257590e+00 2.48 -3.861305449e+00 -3.861305449e+00 2.50 -3.956926877e+00 -3.956926877e+00 2.52 -4.038245765e+00 -4.038245765e+00 2.54 -4.106316861e+00 -4.106316861e+00 2.56 -4.162129720e+00 -4.162129720e+00 2.58 -4.206612440e+00 -4.206612440e+00 2.60 -4.240635201e+00 -4.240635201e+00 2.62 -4.265013591e+00 -4.265013591e+00 2.64 -4.280511771e+00 -4.280511771e+00 2.66 -4.287845450e+00 -4.287845450e+00 2.68 -4.287684699e+00 -4.287684699e+00 2.70 -4.280656612e+00 -4.280656612e+00 2.72 -4.267347819e+00 -4.267347819e+00 2.74 -4.248306854e+00 -4.248306854e+00 2.76 -4.224046400e+00 -4.224046400e+00 2.78 -4.195045398e+00 -4.195045398e+00 2.80 -4.161751048e+00 -4.161751048e+00 2.82 -4.124580690e+00 -4.124580690e+00 2.84 -4.083923586e+00 -4.083923586e+00 2.86 -4.040142594e+00 -4.040142594e+00 2.88 -3.993575755e+00 -3.993575755e+00 2.90 -3.944537785e+00 -3.944537785e+00 2.92 -3.893321485e+00 -3.893321485e+00 2.94 -3.840199069e+00 -3.840199069e+00 2.96 -3.785423418e+00 -3.785423418e+00 2.98 -3.729229261e+00 -3.729229261e+00 3.00 -3.671834288e+00 -3.671834288e+00 3.02 -3.613440201e+00 -3.613440201e+00 3.04 -3.554233710e+00 -3.554233710e+00 3.06 -3.494387449e+00 -3.494387449e+00 3.08 -3.434060847e+00 -3.434060847e+00 3.10 -3.373400999e+00 -3.373400999e+00 3.12 -3.312543405e+00 -3.312543405e+00 3.14 -3.251612713e+00 -3.251612713e+00 3.16 -3.190723410e+00 -3.190723410e+00 3.18 -3.129980472e+00 -3.129980472e+00 3.20 -3.069479972e+00 -3.069479972e+00 3.22 -3.009309658e+00 -3.009309658e+00 3.24 -2.949549490e+00 -2.949549490e+00 3.26 -2.890272150e+00 -2.890272150e+00 3.28 -2.831543518e+00 -2.831543518e+00 3.30 -2.773423121e+00 -2.773423121e+00 3.32 -2.715964554e+00 -2.715964554e+00 3.34 -2.659215874e+00 -2.659215874e+00 3.36 -2.603219974e+00 -2.603219974e+00 3.38 -2.548014927e+00 -2.548014927e+00 3.40 -2.493634316e+00 -2.493634316e+00 3.42 -2.440107540e+00 -2.440107540e+00 3.44 -2.387460098e+00 -2.387460098e+00 3.46 -2.335713859e+00 -2.335713859e+00 3.48 -2.284887314e+00 -2.284887314e+00 3.50 -2.234995811e+00 -2.234995811e+00 3.52 -2.186051772e+00 -2.186051772e+00 3.54 -2.138064905e+00 -2.138064905e+00 3.56 -2.091042387e+00 -2.091042387e+00 3.58 -2.044989049e+00 -2.044989049e+00 3.60 -1.999907543e+00 -1.999907543e+00 3.62 -1.955798493e+00 -1.955798493e+00 3.64 -1.912660642e+00 -1.912660642e+00 3.66 -1.870490988e+00 -1.870490988e+00 3.68 -1.829284905e+00 -1.829284905e+00 3.70 -1.789036263e+00 -1.789036263e+00 3.72 -1.749737532e+00 -1.749737532e+00 3.74 -1.711379883e+00 -1.711379883e+00 3.76 -1.673953281e+00 -1.673953281e+00 3.78 -1.637446568e+00 -1.637446568e+00 3.80 -1.601847544e+00 -1.601847544e+00 3.82 -1.567143040e+00 -1.567143040e+00 3.84 -1.533318986e+00 -1.533318986e+00 3.86 -1.500360473e+00 -1.500360473e+00 3.88 -1.468251814e+00 -1.468251814e+00 3.90 -1.436976597e+00 -1.436976597e+00 3.92 -1.406517741e+00 -1.406517741e+00 3.94 -1.376857545e+00 -1.376857545e+00 3.96 -1.347977735e+00 -1.347977735e+00 3.98 -1.319859513e+00 -1.319859513e+00 4.00 -1.292483603e+00 -1.292483603e+00 4.02 -1.265830302e+00 -1.265830302e+00 4.04 -1.239879522e+00 -1.239879522e+00 4.06 -1.214610847e+00 -1.214610847e+00 4.08 -1.190003580e+00 -1.190003580e+00 4.10 -1.166036801e+00 -1.166036801e+00 4.12 -1.142689422e+00 -1.142689422e+00 4.14 -1.119940252e+00 -1.119940252e+00 4.16 -1.097768058e+00 -1.097768058e+00 4.18 -1.076151636e+00 -1.076151636e+00 4.20 -1.055069884e+00 -1.055069884e+00 4.22 -1.034501873e+00 -1.034501873e+00 4.24 -1.014426929e+00 -1.014426929e+00 4.26 -9.951029481e-01 -9.951029481e-01 4.28 -9.820866384e-01 -9.820866384e-01 4.30 -9.881175209e-01 -9.881175209e-01 4.32 -1.002777880e+00 -1.002777880e+00 4.34 -9.889606411e-01 -9.889606411e-01 4.36 -9.698429173e-01 -9.698429173e-01 4.38 -9.510628762e-01 -9.510628762e-01 4.40 -9.326153325e-01 -9.326153325e-01 4.42 -9.144954186e-01 -9.144954186e-01 4.44 -8.966985291e-01 -8.966985291e-01 4.46 -8.792202691e-01 -8.792202691e-01 4.48 -8.620564063e-01 -8.620564063e-01 4.50 -8.452028280e-01 -8.452028280e-01 4.52 -8.286555040e-01 -8.286555040e-01 4.54 -8.124104539e-01 -8.124104539e-01 4.56 -7.964637203e-01 -7.964637203e-01 4.58 -7.808113468e-01 -7.808113468e-01 4.60 -7.654493611e-01 -7.654493611e-01 4.62 -7.503737628e-01 -7.503737628e-01 4.64 -7.355805149e-01 -7.355805149e-01 4.66 -7.210655395e-01 -7.210655395e-01 4.68 -7.068247164e-01 -7.068247164e-01 4.70 -6.928538841e-01 -6.928538841e-01 4.72 -6.791488441e-01 -6.791488441e-01 4.74 -6.657053654e-01 -6.657053654e-01 4.76 -6.525191916e-01 -6.525191916e-01 4.78 -6.395860484e-01 -6.395860484e-01 4.80 -6.269016513e-01 -6.269016513e-01 4.82 -6.144617146e-01 -6.144617146e-01 4.84 -6.022619588e-01 -6.022619588e-01 4.86 -5.902981195e-01 -5.902981195e-01 4.88 -5.785659547e-01 -5.785659547e-01 4.90 -5.670612522e-01 -5.670612522e-01 4.92 -5.551723332e-01 -5.551723332e-01 4.94 -5.348541321e-01 -5.348541321e-01 4.96 -4.783593345e-01 -4.783593345e-01 4.98 -3.088068499e-01 -3.088068499e-01 5.00 -3.756422727e-22 -3.756809720e-22 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 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