# 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 = CoNi2Ti # 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 7.206971013e+02 7.206971013e+02 1.00 6.532925232e+02 6.532925232e+02 1.02 5.918929770e+02 5.918929770e+02 1.04 5.357170592e+02 5.357170592e+02 1.06 4.832721212e+02 4.832721212e+02 1.08 4.347268689e+02 4.347268689e+02 1.10 3.901778860e+02 3.901778860e+02 1.12 3.495779832e+02 3.495779832e+02 1.14 3.127831398e+02 3.127831398e+02 1.16 2.795873713e+02 2.795873713e+02 1.18 2.497483074e+02 2.497483074e+02 1.20 2.230057136e+02 2.230057136e+02 1.22 1.990946526e+02 1.990946526e+02 1.24 1.777545981e+02 1.777545981e+02 1.26 1.587355299e+02 1.587355299e+02 1.28 1.418017835e+02 1.418017835e+02 1.30 1.267342614e+02 1.267342614e+02 1.32 1.133314582e+02 1.133314582e+02 1.34 1.014096479e+02 1.014096479e+02 1.36 9.080249721e+01 9.080249721e+01 1.38 8.136029416e+01 8.136029416e+01 1.40 7.294894137e+01 7.294894137e+01 1.42 6.544881807e+01 6.544881807e+01 1.44 5.875358342e+01 5.875358342e+01 1.46 5.276897934e+01 5.276897934e+01 1.48 4.741166498e+01 4.741166498e+01 1.50 4.260810776e+01 4.260810776e+01 1.52 3.829354725e+01 3.829354725e+01 1.54 3.441103630e+01 3.441103630e+01 1.56 3.091056453e+01 3.091056453e+01 1.58 2.774826374e+01 2.774826374e+01 1.60 2.488569047e+01 2.488569047e+01 1.62 2.228918379e+01 2.228918379e+01 1.64 1.992929210e+01 1.992929210e+01 1.66 1.778026293e+01 1.778026293e+01 1.68 1.581959139e+01 1.581959139e+01 1.70 1.402762067e+01 1.402762067e+01 1.72 1.238718936e+01 1.238718936e+01 1.74 1.088332119e+01 1.088332119e+01 1.76 9.502935984e+00 9.502935984e+00 1.78 8.234532714e+00 8.234532714e+00 1.80 7.067926533e+00 7.067926533e+00 1.82 5.994082484e+00 5.994082484e+00 1.84 5.004981260e+00 5.004981260e+00 1.86 4.093501053e+00 4.093501053e+00 1.88 3.253313409e+00 3.253313409e+00 1.90 2.478791694e+00 2.478791694e+00 1.92 1.764930366e+00 1.764930366e+00 1.94 1.107273778e+00 1.107273778e+00 1.96 5.018534400e-01 5.018534400e-01 1.98 -5.487045232e-02 -5.487045232e-02 2.00 -5.661009431e-01 -5.661009431e-01 2.02 -1.034792721e+00 -1.034792721e+00 2.04 -1.463692474e+00 -1.463692474e+00 2.06 -1.855379814e+00 -1.855379814e+00 2.08 -2.212282575e+00 -2.212282575e+00 2.10 -2.536685358e+00 -2.536685358e+00 2.12 -2.830737562e+00 -2.830737562e+00 2.14 -3.096460997e+00 -3.096460997e+00 2.16 -3.335757078e+00 -3.335757078e+00 2.18 -3.550413619e+00 -3.550413619e+00 2.20 -3.742111266e+00 -3.742111266e+00 2.22 -3.912429573e+00 -3.912429573e+00 2.24 -4.062852735e+00 -4.062852735e+00 2.26 -4.194775030e+00 -4.194775030e+00 2.28 -4.309505935e+00 -4.309505935e+00 2.30 -4.408274980e+00 -4.408274980e+00 2.32 -4.492236325e+00 -4.492236325e+00 2.34 -4.562473085e+00 -4.562473085e+00 2.36 -4.620001420e+00 -4.620001420e+00 2.38 -4.665774394e+00 -4.665774394e+00 2.40 -4.700685622e+00 -4.700685622e+00 2.42 -4.725572715e+00 -4.725572715e+00 2.44 -4.741220531e+00 -4.741220531e+00 2.46 -4.748364249e+00 -4.748364249e+00 2.48 -4.747692264e+00 -4.747692264e+00 2.50 -4.739848933e+00 -4.739848933e+00 2.52 -4.725437150e+00 -4.725437150e+00 2.54 -4.705020791e+00 -4.705020791e+00 2.56 -4.679127018e+00 -4.679127018e+00 2.58 -4.648248445e+00 -4.648248445e+00 2.60 -4.612845196e+00 -4.612845196e+00 2.62 -4.573346835e+00 -4.573346835e+00 2.64 -4.530154190e+00 -4.530154190e+00 2.66 -4.483641081e+00 -4.483641081e+00 2.68 -4.434155933e+00 -4.434155933e+00 2.70 -4.382023317e+00 -4.382023317e+00 2.72 -4.327545391e+00 -4.327545391e+00 2.74 -4.271003258e+00 -4.271003258e+00 2.76 -4.212658251e+00 -4.212658251e+00 2.78 -4.152753147e+00 -4.152753147e+00 2.80 -4.091513300e+00 -4.091513300e+00 2.82 -4.029147720e+00 -4.029147720e+00 2.84 -3.965850084e+00 -3.965850084e+00 2.86 -3.901799688e+00 -3.901799688e+00 2.88 -3.837162349e+00 -3.837162349e+00 2.90 -3.772091245e+00 -3.772091245e+00 2.92 -3.706727717e+00 -3.706727717e+00 2.94 -3.641202017e+00 -3.641202017e+00 2.96 -3.575634010e+00 -3.575634010e+00 2.98 -3.510133846e+00 -3.510133846e+00 3.00 -3.444802578e+00 -3.444802578e+00 3.02 -3.379732752e+00 -3.379732752e+00 3.04 -3.315008963e+00 -3.315008963e+00 3.06 -3.250708372e+00 -3.250708372e+00 3.08 -3.186901193e+00 -3.186901193e+00 3.10 -3.123651159e+00 -3.123651159e+00 3.12 -3.061015949e+00 -3.061015949e+00 3.14 -2.999047598e+00 -2.999047598e+00 3.16 -2.937792873e+00 -2.937792873e+00 3.18 -2.877293634e+00 -2.877293634e+00 3.20 -2.817587171e+00 -2.817587171e+00 3.22 -2.758706518e+00 -2.758706518e+00 3.24 -2.700680750e+00 -2.700680750e+00 3.26 -2.643535259e+00 -2.643535259e+00 3.28 -2.587292017e+00 -2.587292017e+00 3.30 -2.531969818e+00 -2.531969818e+00 3.32 -2.477584507e+00 -2.477584507e+00 3.34 -2.424149195e+00 -2.424149195e+00 3.36 -2.371674458e+00 -2.371674458e+00 3.38 -2.320168528e+00 -2.320168528e+00 3.40 -2.269637464e+00 -2.269637464e+00 3.42 -2.220085320e+00 -2.220085320e+00 3.44 -2.171514295e+00 -2.171514295e+00 3.46 -2.123924879e+00 -2.123924879e+00 3.48 -2.077315986e+00 -2.077315986e+00 3.50 -2.031685079e+00 -2.031685079e+00 3.52 -1.987028283e+00 -1.987028283e+00 3.54 -1.943340499e+00 -1.943340499e+00 3.56 -1.900615499e+00 -1.900615499e+00 3.58 -1.858846023e+00 -1.858846023e+00 3.60 -1.818023866e+00 -1.818023866e+00 3.62 -1.778139958e+00 -1.778139958e+00 3.64 -1.739184438e+00 -1.739184438e+00 3.66 -1.701146726e+00 -1.701146726e+00 3.68 -1.664015583e+00 -1.664015583e+00 3.70 -1.627779176e+00 -1.627779176e+00 3.72 -1.592425127e+00 -1.592425127e+00 3.74 -1.557940568e+00 -1.557940568e+00 3.76 -1.524312184e+00 -1.524312184e+00 3.78 -1.491526258e+00 -1.491526258e+00 3.80 -1.459568709e+00 -1.459568709e+00 3.82 -1.428425130e+00 -1.428425130e+00 3.84 -1.398080817e+00 -1.398080817e+00 3.86 -1.368520802e+00 -1.368520802e+00 3.88 -1.339729881e+00 -1.339729881e+00 3.90 -1.311692638e+00 -1.311692638e+00 3.92 -1.284393467e+00 -1.284393467e+00 3.94 -1.257816594e+00 -1.257816594e+00 3.96 -1.231946099e+00 -1.231946099e+00 3.98 -1.206765927e+00 -1.206765927e+00 4.00 -1.182259912e+00 -1.182259912e+00 4.02 -1.158411788e+00 -1.158411788e+00 4.04 -1.135205202e+00 -1.135205202e+00 4.06 -1.112623731e+00 -1.112623731e+00 4.08 -1.090650894e+00 -1.090650894e+00 4.10 -1.069270163e+00 -1.069270163e+00 4.12 -1.048464975e+00 -1.048464975e+00 4.14 -1.028218747e+00 -1.028218747e+00 4.16 -1.008514888e+00 -1.008514888e+00 4.18 -9.893368106e-01 -9.893368106e-01 4.20 -9.706679444e-01 -9.706679444e-01 4.22 -9.524917532e-01 -9.524917532e-01 4.24 -9.347917485e-01 -9.347917485e-01 4.26 -9.179776162e-01 -9.179776162e-01 4.28 -9.107133934e-01 -9.107133934e-01 4.30 -9.349675570e-01 -9.349675570e-01 4.32 -9.853223524e-01 -9.853223524e-01 4.34 -9.846042052e-01 -9.846042052e-01 4.36 -9.682191210e-01 -9.682191210e-01 4.38 -9.520861426e-01 -9.520861426e-01 4.40 -9.361960847e-01 -9.361960847e-01 4.42 -9.205404059e-01 -9.205404059e-01 4.44 -9.051112136e-01 -9.051112136e-01 4.46 -8.899012627e-01 -8.899012627e-01 4.48 -8.749039489e-01 -8.749039489e-01 4.50 -8.601132959e-01 -8.601132959e-01 4.52 -8.455239366e-01 -8.455239366e-01 4.54 -8.311310900e-01 -8.311310900e-01 4.56 -8.169305318e-01 -8.169305318e-01 4.58 -8.029185619e-01 -8.029185619e-01 4.60 -7.890919676e-01 -7.890919676e-01 4.62 -7.754479839e-01 -7.754479839e-01 4.64 -7.619842516e-01 -7.619842516e-01 4.66 -7.486987734e-01 -7.486987734e-01 4.68 -7.355898703e-01 -7.355898703e-01 4.70 -7.226561366e-01 -7.226561366e-01 4.72 -7.098963967e-01 -7.098963967e-01 4.74 -6.973096628e-01 -6.973096628e-01 4.76 -6.848950942e-01 -6.848950942e-01 4.78 -6.726519596e-01 -6.726519596e-01 4.80 -6.605796020e-01 -6.605796020e-01 4.82 -6.486774065e-01 -6.486774065e-01 4.84 -6.369447724e-01 -6.369447724e-01 4.86 -6.253810875e-01 -6.253810875e-01 4.88 -6.139857077e-01 -6.139857077e-01 4.90 -6.027579389e-01 -6.027579389e-01 4.92 -5.909668794e-01 -5.909668794e-01 4.94 -5.690119865e-01 -5.690119865e-01 4.96 -5.054158944e-01 -5.054158944e-01 4.98 -3.209166601e-01 -3.209166601e-01 5.00 -3.702567361e-22 -3.704919747e-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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