# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2019--Plummer-G-Tucker-G-J--Ti-Al-C # implementation = 2019--Plummer-G--Ti-Al-C--LAMMPS--ipr1 # composition = AlC2Ti # 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 2022-05-24 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 1.146295447e+03 1.146295447e+03 0.88 1.050218478e+03 1.050218478e+03 0.90 9.603209002e+02 9.603209002e+02 0.92 8.775523082e+02 8.775523082e+02 0.94 8.028421603e+02 8.028421603e+02 0.96 7.371875716e+02 7.371875716e+02 0.98 6.810429958e+02 6.810429958e+02 1.00 6.299203307e+02 6.299203307e+02 1.02 5.822844418e+02 5.822844418e+02 1.04 5.364091426e+02 5.364091426e+02 1.06 4.930676012e+02 4.930676012e+02 1.08 4.532449696e+02 4.532449696e+02 1.10 4.164152320e+02 4.164152320e+02 1.12 3.824972514e+02 3.824972514e+02 1.14 3.521289278e+02 3.521289278e+02 1.16 3.263755839e+02 3.263755839e+02 1.18 3.039184875e+02 3.039184875e+02 1.20 2.827364698e+02 2.827364698e+02 1.22 2.627233422e+02 2.627233422e+02 1.24 2.437826367e+02 2.437826367e+02 1.26 2.258338488e+02 2.258338488e+02 1.28 2.089197540e+02 2.089197540e+02 1.30 1.933596434e+02 1.933596434e+02 1.32 1.799797600e+02 1.799797600e+02 1.34 1.678625074e+02 1.678625074e+02 1.36 1.553831821e+02 1.553831821e+02 1.38 1.426935261e+02 1.426935261e+02 1.40 1.300367647e+02 1.300367647e+02 1.42 1.176830499e+02 1.176830499e+02 1.44 1.058128550e+02 1.058128550e+02 1.46 9.413662187e+01 9.413662187e+01 1.48 8.229883931e+01 8.229883931e+01 1.50 7.017472741e+01 7.017472741e+01 1.52 6.020299321e+01 6.020299321e+01 1.54 5.541680815e+01 5.541680815e+01 1.56 5.111373158e+01 5.111373158e+01 1.58 4.707055775e+01 4.707055775e+01 1.60 4.327697812e+01 4.327697812e+01 1.62 3.969034563e+01 3.969034563e+01 1.64 3.626839458e+01 3.626839458e+01 1.66 3.304017489e+01 3.304017489e+01 1.68 3.002435032e+01 3.002435032e+01 1.70 2.723649703e+01 2.723649703e+01 1.72 2.454519968e+01 2.454519968e+01 1.74 2.183583434e+01 2.183583434e+01 1.76 1.905998524e+01 1.905998524e+01 1.78 1.616542012e+01 1.616542012e+01 1.80 1.313145574e+01 1.313145574e+01 1.82 1.005408898e+01 1.005408898e+01 1.84 7.300641392e+00 7.300641392e+00 1.86 5.524130063e+00 5.524130063e+00 1.88 4.591279684e+00 4.591279684e+00 1.90 3.736868386e+00 3.736868386e+00 1.92 2.949385169e+00 2.949385169e+00 1.94 2.224164504e+00 2.224164504e+00 1.96 1.556861369e+00 1.556861369e+00 1.98 9.434290602e-01 9.434290602e-01 2.00 3.800985548e-01 3.800985548e-01 2.02 -1.365603252e-01 -1.365603252e-01 2.04 -6.089316018e-01 -6.089316018e-01 2.06 -1.038813654e+00 -1.038813654e+00 2.08 -1.427975659e+00 -1.427975659e+00 2.10 -1.778235584e+00 -1.778235584e+00 2.12 -2.091889381e+00 -2.091889381e+00 2.14 -2.373383785e+00 -2.373383785e+00 2.16 -2.624787015e+00 -2.624787015e+00 2.18 -2.847876433e+00 -2.847876433e+00 2.20 -3.044715174e+00 -3.044715174e+00 2.22 -3.217637379e+00 -3.217637379e+00 2.24 -3.369205001e+00 -3.369205001e+00 2.26 -3.502135105e+00 -3.502135105e+00 2.28 -3.619198721e+00 -3.619198721e+00 2.30 -3.723096079e+00 -3.723096079e+00 2.32 -3.816318420e+00 -3.816318420e+00 2.34 -3.901012513e+00 -3.901012513e+00 2.36 -3.978868427e+00 -3.978868427e+00 2.38 -4.051026337e+00 -4.051026337e+00 2.40 -4.114099631e+00 -4.114099631e+00 2.42 -4.165894825e+00 -4.165894825e+00 2.44 -4.207267047e+00 -4.207267047e+00 2.46 -4.239051612e+00 -4.239051612e+00 2.48 -4.262098470e+00 -4.262098470e+00 2.50 -4.277885499e+00 -4.277885499e+00 2.52 -4.287256192e+00 -4.287256192e+00 2.54 -4.290708117e+00 -4.290708117e+00 2.56 -4.289783243e+00 -4.289783243e+00 2.58 -4.285471506e+00 -4.285471506e+00 2.60 -4.275394918e+00 -4.275394918e+00 2.62 -4.257160314e+00 -4.257160314e+00 2.64 -4.228636833e+00 -4.228636833e+00 2.66 -4.188152353e+00 -4.188152353e+00 2.68 -4.134663497e+00 -4.134663497e+00 2.70 -4.067885361e+00 -4.067885361e+00 2.72 -3.988369007e+00 -3.988369007e+00 2.74 -3.897517334e+00 -3.897517334e+00 2.76 -3.796144579e+00 -3.796144579e+00 2.78 -3.675726763e+00 -3.675726763e+00 2.80 -3.536355787e+00 -3.536355787e+00 2.82 -3.381237296e+00 -3.381237296e+00 2.84 -3.214207666e+00 -3.214207666e+00 2.86 -3.039484177e+00 -3.039484177e+00 2.88 -2.859690744e+00 -2.859690744e+00 2.90 -2.677619432e+00 -2.677619432e+00 2.92 -2.497445161e+00 -2.497445161e+00 2.94 -2.313504579e+00 -2.313504579e+00 2.96 -2.120849851e+00 -2.120849851e+00 2.98 -1.921698165e+00 -1.921698165e+00 3.00 -1.718429467e+00 -1.718429467e+00 3.02 -1.513579729e+00 -1.513579729e+00 3.04 -1.309835377e+00 -1.309835377e+00 3.06 -1.110030096e+00 -1.110030096e+00 3.08 -9.171446196e-01 -9.171446196e-01 3.10 -7.343080278e-01 -7.343080278e-01 3.12 -5.647942938e-01 -5.647942938e-01 3.14 -4.119991124e-01 -4.119991124e-01 3.16 -2.793694596e-01 -2.793694596e-01 3.18 -1.702464255e-01 -1.702464255e-01 3.20 -8.758364232e-02 -8.758364232e-02 3.22 -3.271492483e-02 -3.271492483e-02 3.24 -4.349960919e-03 -4.349960919e-03 3.26 0.000000000e+00 0.000000000e+00 3.28 0.000000000e+00 0.000000000e+00 3.30 0.000000000e+00 0.000000000e+00 3.32 0.000000000e+00 0.000000000e+00 3.34 0.000000000e+00 0.000000000e+00 3.36 0.000000000e+00 0.000000000e+00 3.38 0.000000000e+00 0.000000000e+00 3.40 0.000000000e+00 0.000000000e+00 3.42 0.000000000e+00 0.000000000e+00 3.44 0.000000000e+00 0.000000000e+00 3.46 0.000000000e+00 0.000000000e+00 3.48 0.000000000e+00 0.000000000e+00 3.50 0.000000000e+00 0.000000000e+00 3.52 0.000000000e+00 0.000000000e+00 3.54 0.000000000e+00 0.000000000e+00 3.56 0.000000000e+00 0.000000000e+00 3.58 0.000000000e+00 0.000000000e+00 3.60 0.000000000e+00 0.000000000e+00 3.62 0.000000000e+00 0.000000000e+00 3.64 0.000000000e+00 0.000000000e+00 3.66 0.000000000e+00 0.000000000e+00 3.68 0.000000000e+00 0.000000000e+00 3.70 0.000000000e+00 0.000000000e+00 3.72 0.000000000e+00 0.000000000e+00 3.74 0.000000000e+00 0.000000000e+00 3.76 0.000000000e+00 0.000000000e+00 3.78 0.000000000e+00 0.000000000e+00 3.80 0.000000000e+00 0.000000000e+00 3.82 0.000000000e+00 0.000000000e+00 3.84 0.000000000e+00 0.000000000e+00 3.86 0.000000000e+00 0.000000000e+00 3.88 0.000000000e+00 0.000000000e+00 3.90 0.000000000e+00 0.000000000e+00 3.92 0.000000000e+00 0.000000000e+00 3.94 0.000000000e+00 0.000000000e+00 3.96 0.000000000e+00 0.000000000e+00 3.98 0.000000000e+00 0.000000000e+00 4.00 0.000000000e+00 0.000000000e+00 4.02 0.000000000e+00 0.000000000e+00 4.04 0.000000000e+00 0.000000000e+00 4.06 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 4.14 0.000000000e+00 0.000000000e+00 4.16 0.000000000e+00 0.000000000e+00 4.18 0.000000000e+00 0.000000000e+00 4.20 0.000000000e+00 0.000000000e+00 4.22 0.000000000e+00 0.000000000e+00 4.24 0.000000000e+00 0.000000000e+00 4.26 0.000000000e+00 0.000000000e+00 4.28 0.000000000e+00 0.000000000e+00 4.30 0.000000000e+00 0.000000000e+00 4.32 0.000000000e+00 0.000000000e+00 4.34 0.000000000e+00 0.000000000e+00 4.36 0.000000000e+00 0.000000000e+00 4.38 0.000000000e+00 0.000000000e+00 4.40 0.000000000e+00 0.000000000e+00 4.42 0.000000000e+00 0.000000000e+00 4.44 0.000000000e+00 0.000000000e+00 4.46 0.000000000e+00 0.000000000e+00 4.48 0.000000000e+00 0.000000000e+00 4.50 0.000000000e+00 0.000000000e+00 4.52 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 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 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00