# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cr-Co-Al # implementation = 2025--Sharifi-H--Cr-Co-Al--LAMMPS--ipr1 # composition = AlCoCr2 # 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 1.911072768e+02 1.911072768e+02 1.00 1.762161613e+02 1.762161613e+02 1.02 1.622005361e+02 1.622005361e+02 1.04 1.490622291e+02 1.490622291e+02 1.06 1.367939121e+02 1.367939121e+02 1.08 1.253793320e+02 1.253793320e+02 1.10 1.147942189e+02 1.147942189e+02 1.12 1.050075522e+02 1.050075522e+02 1.14 9.598297105e+01 9.598297105e+01 1.16 8.768019111e+01 8.768019111e+01 1.18 8.005633151e+01 8.005633151e+01 1.20 7.306710363e+01 7.306710363e+01 1.22 6.666783468e+01 6.666783468e+01 1.24 6.081431683e+01 6.081431683e+01 1.26 5.546348883e+01 5.546348883e+01 1.28 5.057396414e+01 5.057396414e+01 1.30 4.610641703e+01 4.610641703e+01 1.32 4.202384608e+01 4.202384608e+01 1.34 3.829173409e+01 3.829173409e+01 1.36 3.487812282e+01 3.487812282e+01 1.38 3.175361842e+01 3.175361842e+01 1.40 2.889134319e+01 2.889134319e+01 1.42 2.626684719e+01 2.626684719e+01 1.44 2.385799156e+01 2.385799156e+01 1.46 2.164480776e+01 2.164480776e+01 1.48 1.960934558e+01 1.960934558e+01 1.50 1.773551665e+01 1.773551665e+01 1.52 1.600893721e+01 1.600893721e+01 1.54 1.441677328e+01 1.441677328e+01 1.56 1.294759168e+01 1.294759168e+01 1.58 1.159121847e+01 1.159121847e+01 1.60 1.033860613e+01 1.033860613e+01 1.62 9.181696612e+00 9.181696612e+00 1.64 8.113204112e+00 8.113204112e+00 1.66 7.126453355e+00 7.126453355e+00 1.68 6.215320311e+00 6.215320311e+00 1.70 5.374182353e+00 5.374182353e+00 1.72 4.597872508e+00 4.597872508e+00 1.74 3.881638289e+00 3.881638289e+00 1.76 3.221104554e+00 3.221104554e+00 1.78 2.612239205e+00 2.612239205e+00 1.80 2.051321382e+00 2.051321382e+00 1.82 1.534913943e+00 1.534913943e+00 1.84 1.059839064e+00 1.059839064e+00 1.86 6.231563291e-01 6.231563291e-01 1.88 2.221430898e-01 2.221430898e-01 1.90 -1.457216968e-01 -1.457216968e-01 1.92 -4.827736727e-01 -4.827736727e-01 1.94 -7.911795558e-01 -7.911795558e-01 1.96 -1.072950133e+00 -1.072950133e+00 1.98 -1.329951923e+00 -1.329951923e+00 2.00 -1.563917688e+00 -1.563917688e+00 2.02 -1.776506915e+00 -1.776506915e+00 2.04 -1.969465130e+00 -1.969465130e+00 2.06 -2.144432518e+00 -2.144432518e+00 2.08 -2.302892279e+00 -2.302892279e+00 2.10 -2.446187080e+00 -2.446187080e+00 2.12 -2.575533542e+00 -2.575533542e+00 2.14 -2.692035210e+00 -2.692035210e+00 2.16 -2.796694183e+00 -2.796694183e+00 2.18 -2.890422031e+00 -2.890422031e+00 2.20 -2.974050632e+00 -2.974050632e+00 2.22 -3.048338486e+00 -3.048338486e+00 2.24 -3.113977569e+00 -3.113977569e+00 2.26 -3.171600108e+00 -3.171600108e+00 2.28 -3.221784633e+00 -3.221784633e+00 2.30 -3.265061403e+00 -3.265061403e+00 2.32 -3.301917240e+00 -3.301917240e+00 2.34 -3.332799859e+00 -3.332799859e+00 2.36 -3.358121742e+00 -3.358121742e+00 2.38 -3.378263585e+00 -3.378263585e+00 2.40 -3.393577386e+00 -3.393577386e+00 2.42 -3.404389209e+00 -3.404389209e+00 2.44 -3.411001635e+00 -3.411001635e+00 2.46 -3.413695970e+00 -3.413695970e+00 2.48 -3.412734199e+00 -3.412734199e+00 2.50 -3.408360744e+00 -3.408360744e+00 2.52 -3.400804027e+00 -3.400804027e+00 2.54 -3.390277868e+00 -3.390277868e+00 2.56 -3.376982731e+00 -3.376982731e+00 2.58 -3.361106841e+00 -3.361106841e+00 2.60 -3.342827179e+00 -3.342827179e+00 2.62 -3.322310439e+00 -3.322310439e+00 2.64 -3.299715101e+00 -3.299715101e+00 2.66 -3.275191805e+00 -3.275191805e+00 2.68 -3.248882640e+00 -3.248882640e+00 2.70 -3.220921708e+00 -3.220921708e+00 2.72 -3.191435669e+00 -3.191435669e+00 2.74 -3.160544248e+00 -3.160544248e+00 2.76 -3.128360674e+00 -3.128360674e+00 2.78 -3.094992092e+00 -3.094992092e+00 2.80 -3.060539928e+00 -3.060539928e+00 2.82 -3.025100217e+00 -3.025100217e+00 2.84 -2.988763906e+00 -2.988763906e+00 2.86 -2.951617128e+00 -2.951617128e+00 2.88 -2.913741451e+00 -2.913741451e+00 2.90 -2.875214104e+00 -2.875214104e+00 2.92 -2.836108188e+00 -2.836108188e+00 2.94 -2.796492866e+00 -2.796492866e+00 2.96 -2.756433538e+00 -2.756433538e+00 2.98 -2.715992008e+00 -2.715992008e+00 3.00 -2.675226630e+00 -2.675226630e+00 3.02 -2.634192450e+00 -2.634192450e+00 3.04 -2.592941334e+00 -2.592941334e+00 3.06 -2.551522095e+00 -2.551522095e+00 3.08 -2.509980600e+00 -2.509980600e+00 3.10 -2.468359882e+00 -2.468359882e+00 3.12 -2.426700237e+00 -2.426700237e+00 3.14 -2.385039322e+00 -2.385039322e+00 3.16 -2.343412245e+00 -2.343412245e+00 3.18 -2.301851650e+00 -2.301851650e+00 3.20 -2.260387800e+00 -2.260387800e+00 3.22 -2.219048655e+00 -2.219048655e+00 3.24 -2.177859950e+00 -2.177859950e+00 3.26 -2.136845268e+00 -2.136845268e+00 3.28 -2.096026113e+00 -2.096026113e+00 3.30 -2.055421981e+00 -2.055421981e+00 3.32 -2.015050430e+00 -2.015050430e+00 3.34 -1.974927157e+00 -1.974927157e+00 3.36 -1.935066061e+00 -1.935066061e+00 3.38 -1.895479325e+00 -1.895479325e+00 3.40 -1.856177491e+00 -1.856177491e+00 3.42 -1.817169540e+00 -1.817169540e+00 3.44 -1.778462977e+00 -1.778462977e+00 3.46 -1.740063926e+00 -1.740063926e+00 3.48 -1.701977226e+00 -1.701977226e+00 3.50 -1.664206543e+00 -1.664206543e+00 3.52 -1.626754484e+00 -1.626754484e+00 3.54 -1.589622728e+00 -1.589622728e+00 3.56 -1.552812169e+00 -1.552812169e+00 3.58 -1.516323076e+00 -1.516323076e+00 3.60 -1.480155257e+00 -1.480155257e+00 3.62 -1.444308252e+00 -1.444308252e+00 3.64 -1.408781537e+00 -1.408781537e+00 3.66 -1.373574738e+00 -1.373574738e+00 3.68 -1.338687869e+00 -1.338687869e+00 3.70 -1.304121576e+00 -1.304121576e+00 3.72 -1.269877392e+00 -1.269877392e+00 3.74 -1.235957994e+00 -1.235957994e+00 3.76 -1.202367467e+00 -1.202367467e+00 3.78 -1.169111546e+00 -1.169111546e+00 3.80 -1.136197855e+00 -1.136197855e+00 3.82 -1.103636109e+00 -1.103636109e+00 3.84 -1.071438280e+00 -1.071438280e+00 3.86 -1.039618715e+00 -1.039618715e+00 3.88 -1.008194190e+00 -1.008194190e+00 3.90 -9.771838910e-01 -9.771838910e-01 3.92 -9.466093132e-01 -9.466093132e-01 3.94 -9.164940700e-01 -9.164940700e-01 3.96 -8.868636079e-01 -8.868636079e-01 3.98 -8.577448288e-01 -8.577448288e-01 4.00 -8.291656228e-01 -8.291656228e-01 4.02 -8.011543234e-01 -8.011543234e-01 4.04 -7.737390997e-01 -7.737390997e-01 4.06 -7.469473054e-01 -7.469473054e-01 4.08 -7.208048099e-01 -7.208048099e-01 4.10 -6.953353362e-01 -6.953353362e-01 4.12 -6.705598349e-01 -6.705598349e-01 4.14 -6.464959215e-01 -6.464959215e-01 4.16 -6.231573999e-01 -6.231573999e-01 4.18 -6.005538945e-01 -6.005538945e-01 4.20 -5.786906059e-01 -5.786906059e-01 4.22 -5.575681982e-01 -5.575681982e-01 4.24 -5.371828204e-01 -5.371828204e-01 4.26 -5.174989158e-01 -5.174989158e-01 4.28 -4.979614752e-01 -4.979614752e-01 4.30 -4.771429445e-01 -4.771429445e-01 4.32 -4.548296808e-01 -4.548296808e-01 4.34 -4.368095563e-01 -4.368095563e-01 4.36 -4.208572147e-01 -4.208572147e-01 4.38 -4.055029807e-01 -4.055029807e-01 4.40 -3.907203038e-01 -3.907203038e-01 4.42 -3.764821225e-01 -3.764821225e-01 4.44 -3.627613510e-01 -3.627613510e-01 4.46 -3.495313115e-01 -3.495313115e-01 4.48 -3.367661035e-01 -3.367661035e-01 4.50 -3.244409042e-01 -3.244409042e-01 4.52 -3.125322000e-01 -3.125322000e-01 4.54 -3.010179495e-01 -3.010179495e-01 4.56 -2.898776822e-01 -2.898776822e-01 4.58 -2.790925401e-01 -2.790925401e-01 4.60 -2.686452685e-01 -2.686452685e-01 4.62 -2.585201649e-01 -2.585201649e-01 4.64 -2.487029959e-01 -2.487029959e-01 4.66 -2.391808894e-01 -2.391808894e-01 4.68 -2.299422114e-01 -2.299422114e-01 4.70 -2.209764346e-01 -2.209764346e-01 4.72 -2.122740053e-01 -2.122740053e-01 4.74 -2.038262140e-01 -2.038262140e-01 4.76 -1.956250735e-01 -1.956250735e-01 4.78 -1.876632071e-01 -1.876632071e-01 4.80 -1.799337500e-01 -1.799337500e-01 4.82 -1.724302631e-01 -1.724302631e-01 4.84 -1.651466596e-01 -1.651466596e-01 4.86 -1.580771449e-01 -1.580771449e-01 4.88 -1.512161672e-01 -1.512161672e-01 4.90 -1.445583781e-01 -1.445583781e-01 4.92 -1.376657364e-01 -1.376657364e-01 4.94 -1.252960794e-01 -1.252960794e-01 4.96 -9.578890939e-02 -9.578890939e-02 4.98 -4.264152808e-02 -4.264152808e-02 5.00 -3.470357335e-24 -3.473301402e-24 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