# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2019--Plummer-G-Tucker-G-J--Ti-Si-C # implementation = 2019--Plummer-G--Ti-Si-C--LAMMPS--ipr1 # composition = CSi2Ti # 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 4.174536263e+03 4.174536263e+03 0.84 3.790814704e+03 3.790814704e+03 0.86 3.448945983e+03 3.448945983e+03 0.88 3.139440533e+03 3.139440533e+03 0.90 2.859320002e+03 2.859320002e+03 0.92 2.605715462e+03 2.605715462e+03 0.94 2.377191983e+03 2.377191983e+03 0.96 2.169417344e+03 2.169417344e+03 0.98 1.980330893e+03 1.980330893e+03 1.00 1.807861171e+03 1.807861171e+03 1.02 1.649741535e+03 1.649741535e+03 1.04 1.505593568e+03 1.505593568e+03 1.06 1.373973898e+03 1.373973898e+03 1.08 1.254590787e+03 1.254590787e+03 1.10 1.146386979e+03 1.146386979e+03 1.12 1.048576766e+03 1.048576766e+03 1.14 9.611705343e+02 9.611705343e+02 1.16 8.810898364e+02 8.810898364e+02 1.18 8.064902061e+02 8.064902061e+02 1.20 7.369410255e+02 7.369410255e+02 1.22 6.723842596e+02 6.723842596e+02 1.24 6.130939406e+02 6.130939406e+02 1.26 5.592456657e+02 5.592456657e+02 1.28 5.094675456e+02 5.094675456e+02 1.30 4.628719269e+02 4.628719269e+02 1.32 4.210357813e+02 4.210357813e+02 1.34 3.834141637e+02 3.834141637e+02 1.36 3.492825529e+02 3.492825529e+02 1.38 3.188998396e+02 3.188998396e+02 1.40 2.914022122e+02 2.914022122e+02 1.42 2.663131822e+02 2.663131822e+02 1.44 2.431713980e+02 2.431713980e+02 1.46 2.219150831e+02 2.219150831e+02 1.48 2.022806204e+02 2.022806204e+02 1.50 1.840127493e+02 1.840127493e+02 1.52 1.671053838e+02 1.671053838e+02 1.54 1.515345220e+02 1.515345220e+02 1.56 1.371043193e+02 1.371043193e+02 1.58 1.236558124e+02 1.236558124e+02 1.60 1.112009461e+02 1.112009461e+02 1.62 9.978604625e+01 9.978604625e+01 1.64 8.943019033e+01 8.943019033e+01 1.66 8.009264423e+01 8.009264423e+01 1.68 7.182767005e+01 7.182767005e+01 1.70 6.432506547e+01 6.432506547e+01 1.72 5.741654144e+01 5.741654144e+01 1.74 5.113940372e+01 5.113940372e+01 1.76 4.552598129e+01 4.552598129e+01 1.78 4.057651816e+01 4.057651816e+01 1.80 3.613617531e+01 3.613617531e+01 1.82 3.212427722e+01 3.212427722e+01 1.84 2.851297423e+01 2.851297423e+01 1.86 2.527108282e+01 2.527108282e+01 1.88 2.232791992e+01 2.232791992e+01 1.90 1.963977507e+01 1.963977507e+01 1.92 1.718604294e+01 1.718604294e+01 1.94 1.494776309e+01 1.494776309e+01 1.96 1.290748777e+01 1.290748777e+01 1.98 1.104916039e+01 1.104916039e+01 2.00 9.345186553e+00 9.345186553e+00 2.02 7.708827359e+00 7.708827359e+00 2.04 6.132173908e+00 6.132173908e+00 2.06 4.626438345e+00 4.626438345e+00 2.08 3.205238968e+00 3.205238968e+00 2.10 1.886785162e+00 1.886785162e+00 2.12 6.968600134e-01 6.968600134e-01 2.14 -3.311623049e-01 -3.311623049e-01 2.16 -1.164523617e+00 -1.164523617e+00 2.18 -1.794344578e+00 -1.794344578e+00 2.20 -2.322337937e+00 -2.322337937e+00 2.22 -2.797316618e+00 -2.797316618e+00 2.24 -3.238252521e+00 -3.238252521e+00 2.26 -3.644905021e+00 -3.644905021e+00 2.28 -4.016465430e+00 -4.016465430e+00 2.30 -4.352109594e+00 -4.352109594e+00 2.32 -4.651204797e+00 -4.651204797e+00 2.34 -4.913459069e+00 -4.913459069e+00 2.36 -5.139012021e+00 -5.139012021e+00 2.38 -5.328463561e+00 -5.328463561e+00 2.40 -5.481341055e+00 -5.481341055e+00 2.42 -5.598220288e+00 -5.598220288e+00 2.44 -5.681420594e+00 -5.681420594e+00 2.46 -5.733721693e+00 -5.733721693e+00 2.48 -5.758218181e+00 -5.758218181e+00 2.50 -5.758173197e+00 -5.758173197e+00 2.52 -5.736883876e+00 -5.736883876e+00 2.54 -5.698783791e+00 -5.698783791e+00 2.56 -5.650862995e+00 -5.650862995e+00 2.58 -5.594722686e+00 -5.594722686e+00 2.60 -5.531348438e+00 -5.531348438e+00 2.62 -5.461639703e+00 -5.461639703e+00 2.64 -5.386416769e+00 -5.386416769e+00 2.66 -5.306427178e+00 -5.306427178e+00 2.68 -5.222351624e+00 -5.222351624e+00 2.70 -5.134809387e+00 -5.134809387e+00 2.72 -5.043541651e+00 -5.043541651e+00 2.74 -4.945069241e+00 -4.945069241e+00 2.76 -4.839921408e+00 -4.839921408e+00 2.78 -4.729234663e+00 -4.729234663e+00 2.80 -4.614112976e+00 -4.614112976e+00 2.82 -4.495398452e+00 -4.495398452e+00 2.84 -4.369644012e+00 -4.369644012e+00 2.86 -4.235499700e+00 -4.235499700e+00 2.88 -4.093394036e+00 -4.093394036e+00 2.90 -3.944131050e+00 -3.944131050e+00 2.92 -3.788999915e+00 -3.788999915e+00 2.94 -3.629861076e+00 -3.629861076e+00 2.96 -3.469172922e+00 -3.469172922e+00 2.98 -3.304233415e+00 -3.304233415e+00 3.00 -3.133920016e+00 -3.133920016e+00 3.02 -2.962002486e+00 -2.962002486e+00 3.04 -2.792612582e+00 -2.792612582e+00 3.06 -2.629884128e+00 -2.629884128e+00 3.08 -2.476822277e+00 -2.476822277e+00 3.10 -2.325320111e+00 -2.325320111e+00 3.12 -2.172702877e+00 -2.172702877e+00 3.14 -2.020094281e+00 -2.020094281e+00 3.16 -1.868671310e+00 -1.868671310e+00 3.18 -1.719622358e+00 -1.719622358e+00 3.20 -1.574099877e+00 -1.574099877e+00 3.22 -1.432722723e+00 -1.432722723e+00 3.24 -1.292804537e+00 -1.292804537e+00 3.26 -1.154710851e+00 -1.154710851e+00 3.28 -1.019656029e+00 -1.019656029e+00 3.30 -8.888442994e-01 -8.888442994e-01 3.32 -7.634574992e-01 -7.634574992e-01 3.34 -6.446405362e-01 -6.446405362e-01 3.36 -5.334842958e-01 -5.334842958e-01 3.38 -4.310058866e-01 -4.310058866e-01 3.40 -3.381263446e-01 -3.381263446e-01 3.42 -2.556462593e-01 -2.556462593e-01 3.44 -1.842202261e-01 -1.842202261e-01 3.46 -1.243315393e-01 -1.243315393e-01 3.48 -7.626903820e-02 -7.626903820e-02 3.50 -4.010839312e-02 -4.010839312e-02 3.52 -1.570024838e-02 -1.570024838e-02 3.54 -2.667392956e-03 -2.667392956e-03 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