# 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 = AlCo2Ni # 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 6.604456470e+02 6.604456470e+02 1.00 6.050364705e+02 6.050364705e+02 1.02 5.535036112e+02 5.535036112e+02 1.04 5.054215604e+02 5.054215604e+02 1.06 4.595944715e+02 4.595944715e+02 1.08 4.164389722e+02 4.164389722e+02 1.10 3.762590188e+02 3.762590188e+02 1.12 3.391810554e+02 3.391810554e+02 1.14 3.052065440e+02 3.052065440e+02 1.16 2.742514382e+02 2.742514382e+02 1.18 2.461755675e+02 2.461755675e+02 1.20 2.208043157e+02 2.208043157e+02 1.22 1.979444126e+02 1.979444126e+02 1.24 1.773952437e+02 1.773952437e+02 1.26 1.589567860e+02 1.589567860e+02 1.28 1.424350055e+02 1.424350055e+02 1.30 1.276453727e+02 1.276453727e+02 1.32 1.144149901e+02 1.144149901e+02 1.34 1.025837132e+02 1.025837132e+02 1.36 9.200455557e+01 9.200455557e+01 1.38 8.254359021e+01 8.254359021e+01 1.40 7.407951489e+01 7.407951489e+01 1.42 6.650300039e+01 6.650300039e+01 1.44 5.971590803e+01 5.971590803e+01 1.46 5.363044411e+01 5.363044411e+01 1.48 4.816829345e+01 4.816829345e+01 1.50 4.325976408e+01 4.325976408e+01 1.52 3.884296577e+01 3.884296577e+01 1.54 3.486303265e+01 3.486303265e+01 1.56 3.127139956e+01 3.127139956e+01 1.58 2.802513559e+01 2.802513559e+01 1.60 2.508633408e+01 2.508633408e+01 1.62 2.242155946e+01 2.242155946e+01 1.64 2.000134797e+01 2.000134797e+01 1.66 1.779975808e+01 1.779975808e+01 1.68 1.579396851e+01 1.579396851e+01 1.70 1.396391863e+01 1.396391863e+01 1.72 1.229198777e+01 1.229198777e+01 1.74 1.076269722e+01 1.076269722e+01 1.76 9.362415530e+00 9.362415530e+00 1.78 8.079107821e+00 8.079107821e+00 1.80 6.902085453e+00 6.902085453e+00 1.82 5.821831967e+00 5.821831967e+00 1.84 4.829875274e+00 4.829875274e+00 1.86 3.918674230e+00 3.918674230e+00 1.88 3.081517393e+00 3.081517393e+00 1.90 2.312432925e+00 2.312432925e+00 1.92 1.606108118e+00 1.606108118e+00 1.94 9.578175324e-01 9.578175324e-01 1.96 3.633588747e-01 3.633588747e-01 1.98 -1.810076031e-01 -1.810076031e-01 2.00 -6.786668244e-01 -6.786668244e-01 2.02 -1.132774599e+00 -1.132774599e+00 2.04 -1.546291025e+00 -1.546291025e+00 2.06 -1.921992213e+00 -1.921992213e+00 2.08 -2.262481199e+00 -2.262481199e+00 2.10 -2.570198249e+00 -2.570198249e+00 2.12 -2.847430548e+00 -2.847430548e+00 2.14 -3.096321342e+00 -3.096321342e+00 2.16 -3.318878552e+00 -3.318878552e+00 2.18 -3.516982883e+00 -3.516982883e+00 2.20 -3.692395468e+00 -3.692395468e+00 2.22 -3.846765072e+00 -3.846765072e+00 2.24 -3.981634861e+00 -3.981634861e+00 2.26 -4.098448801e+00 -4.098448801e+00 2.28 -4.198557661e+00 -4.198557661e+00 2.30 -4.283224676e+00 -4.283224676e+00 2.32 -4.353630881e+00 -4.353630881e+00 2.34 -4.410880125e+00 -4.410880125e+00 2.36 -4.456003793e+00 -4.456003793e+00 2.38 -4.489965252e+00 -4.489965252e+00 2.40 -4.513664033e+00 -4.513664033e+00 2.42 -4.527939765e+00 -4.527939765e+00 2.44 -4.533575881e+00 -4.533575881e+00 2.46 -4.531303098e+00 -4.531303098e+00 2.48 -4.521802691e+00 -4.521802691e+00 2.50 -4.505709582e+00 -4.505709582e+00 2.52 -4.483615228e+00 -4.483615228e+00 2.54 -4.456070350e+00 -4.456070350e+00 2.56 -4.423587495e+00 -4.423587495e+00 2.58 -4.386643442e+00 -4.386643442e+00 2.60 -4.345681463e+00 -4.345681463e+00 2.62 -4.301113454e+00 -4.301113454e+00 2.64 -4.253321929e+00 -4.253321929e+00 2.66 -4.202661901e+00 -4.202661901e+00 2.68 -4.149462640e+00 -4.149462640e+00 2.70 -4.094029335e+00 -4.094029335e+00 2.72 -4.036644649e+00 -4.036644649e+00 2.74 -3.977570175e+00 -3.977570175e+00 2.76 -3.917047813e+00 -3.917047813e+00 2.78 -3.855301052e+00 -3.855301052e+00 2.80 -3.792536183e+00 -3.792536183e+00 2.82 -3.728943428e+00 -3.728943428e+00 2.84 -3.664698009e+00 -3.664698009e+00 2.86 -3.599961140e+00 -3.599961140e+00 2.88 -3.534880968e+00 -3.534880968e+00 2.90 -3.469593446e+00 -3.469593446e+00 2.92 -3.404223161e+00 -3.404223161e+00 2.94 -3.338884100e+00 -3.338884100e+00 2.96 -3.273680379e+00 -3.273680379e+00 2.98 -3.208706913e+00 -3.208706913e+00 3.00 -3.144050060e+00 -3.144050060e+00 3.02 -3.079788206e+00 -3.079788206e+00 3.04 -3.015992332e+00 -3.015992332e+00 3.06 -2.952726529e+00 -2.952726529e+00 3.08 -2.890048469e+00 -2.890048469e+00 3.10 -2.828009905e+00 -2.828009905e+00 3.12 -2.766657061e+00 -2.766657061e+00 3.14 -2.706031048e+00 -2.706031048e+00 3.16 -2.646168231e+00 -2.646168231e+00 3.18 -2.587100583e+00 -2.587100583e+00 3.20 -2.528856010e+00 -2.528856010e+00 3.22 -2.471458657e+00 -2.471458657e+00 3.24 -2.414929194e+00 -2.414929194e+00 3.26 -2.359285079e+00 -2.359285079e+00 3.28 -2.304540814e+00 -2.304540814e+00 3.30 -2.250708169e+00 -2.250708169e+00 3.32 -2.197796406e+00 -2.197796406e+00 3.34 -2.145812475e+00 -2.145812475e+00 3.36 -2.094761208e+00 -2.094761208e+00 3.38 -2.044645490e+00 -2.044645490e+00 3.40 -1.995466427e+00 -1.995466427e+00 3.42 -1.947223495e+00 -1.947223495e+00 3.44 -1.899914686e+00 -1.899914686e+00 3.46 -1.853536636e+00 -1.853536636e+00 3.48 -1.808084749e+00 -1.808084749e+00 3.50 -1.763553316e+00 -1.763553316e+00 3.52 -1.719935613e+00 -1.719935613e+00 3.54 -1.677224007e+00 -1.677224007e+00 3.56 -1.635410045e+00 -1.635410045e+00 3.58 -1.594484538e+00 -1.594484538e+00 3.60 -1.554437642e+00 -1.554437642e+00 3.62 -1.515258930e+00 -1.515258930e+00 3.64 -1.476937458e+00 -1.476937458e+00 3.66 -1.439461831e+00 -1.439461831e+00 3.68 -1.402820261e+00 -1.402820261e+00 3.70 -1.367000615e+00 -1.367000615e+00 3.72 -1.331990473e+00 -1.331990473e+00 3.74 -1.297777167e+00 -1.297777167e+00 3.76 -1.264347824e+00 -1.264347824e+00 3.78 -1.231689408e+00 -1.231689408e+00 3.80 -1.199788753e+00 -1.199788753e+00 3.82 -1.168632596e+00 -1.168632596e+00 3.84 -1.138207609e+00 -1.138207609e+00 3.86 -1.108500423e+00 -1.108500423e+00 3.88 -1.079497656e+00 -1.079497656e+00 3.90 -1.051185934e+00 -1.051185934e+00 3.92 -1.023551916e+00 -1.023551916e+00 3.94 -9.965823079e-01 -9.965823079e-01 3.96 -9.702638819e-01 -9.702638819e-01 3.98 -9.445834938e-01 -9.445834938e-01 4.00 -9.195280955e-01 -9.195280955e-01 4.02 -8.950847480e-01 -8.950847480e-01 4.04 -8.712406335e-01 -8.712406335e-01 4.06 -8.479830651e-01 -8.479830651e-01 4.08 -8.252994964e-01 -8.252994964e-01 4.10 -8.031775295e-01 -8.031775295e-01 4.12 -7.816049221e-01 -7.816049221e-01 4.14 -7.605695940e-01 -7.605695940e-01 4.16 -7.400596326e-01 -7.400596326e-01 4.18 -7.200632975e-01 -7.200632975e-01 4.20 -7.005690245e-01 -7.005690245e-01 4.22 -6.815654292e-01 -6.815654292e-01 4.24 -6.630413099e-01 -6.630413099e-01 4.26 -6.450237112e-01 -6.450237112e-01 4.28 -6.282160877e-01 -6.282160877e-01 4.30 -6.127019922e-01 -6.127019922e-01 4.32 -5.890516471e-01 -5.890516471e-01 4.34 -5.682100011e-01 -5.682100011e-01 4.36 -5.529959357e-01 -5.529959357e-01 4.38 -5.381603403e-01 -5.381603403e-01 4.40 -5.236944768e-01 -5.236944768e-01 4.42 -5.095897662e-01 -5.095897662e-01 4.44 -4.958377881e-01 -4.958377881e-01 4.46 -4.824302806e-01 -4.824302806e-01 4.48 -4.693591389e-01 -4.693591389e-01 4.50 -4.566164151e-01 -4.566164151e-01 4.52 -4.441943170e-01 -4.441943170e-01 4.54 -4.320852067e-01 -4.320852067e-01 4.56 -4.202815994e-01 -4.202815994e-01 4.58 -4.087761621e-01 -4.087761621e-01 4.60 -3.975617119e-01 -3.975617119e-01 4.62 -3.866312144e-01 -3.866312144e-01 4.64 -3.759777821e-01 -3.759777821e-01 4.66 -3.655946724e-01 -3.655946724e-01 4.68 -3.554752860e-01 -3.554752860e-01 4.70 -3.456131646e-01 -3.456131646e-01 4.72 -3.360019894e-01 -3.360019894e-01 4.74 -3.266355789e-01 -3.266355789e-01 4.76 -3.175078865e-01 -3.175078865e-01 4.78 -3.086129989e-01 -3.086129989e-01 4.80 -2.999451339e-01 -2.999451339e-01 4.82 -2.914986381e-01 -2.914986381e-01 4.84 -2.832679848e-01 -2.832679848e-01 4.86 -2.752477720e-01 -2.752477720e-01 4.88 -2.674327202e-01 -2.674327202e-01 4.90 -2.598176699e-01 -2.598176699e-01 4.92 -2.521046764e-01 -2.521046764e-01 4.94 -2.405182821e-01 -2.405182821e-01 4.96 -2.126821630e-01 -2.126821630e-01 4.98 -1.356575035e-01 -1.356575035e-01 5.00 -2.571148565e-22 -2.569565731e-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 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