# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cu-Ni-Fe # implementation = 2025--Sharifi-H--Cu-Ni-Fe--LAMMPS--ipr1 # composition = Cu2FeNi # 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 5.946502926e+02 5.946502926e+02 1.00 5.522897798e+02 5.522897798e+02 1.02 5.122408306e+02 5.122408306e+02 1.04 4.742692722e+02 4.742692722e+02 1.06 4.382393690e+02 4.382393690e+02 1.08 4.040774620e+02 4.040774620e+02 1.10 3.717458903e+02 3.717458903e+02 1.12 3.412247915e+02 3.412247915e+02 1.14 3.124998150e+02 3.124998150e+02 1.16 2.855542396e+02 2.855542396e+02 1.18 2.603643128e+02 2.603643128e+02 1.20 2.368968939e+02 2.368968939e+02 1.22 2.151087130e+02 2.151087130e+02 1.24 1.949467061e+02 1.949467061e+02 1.26 1.763490364e+02 1.763490364e+02 1.28 1.592465103e+02 1.592465103e+02 1.30 1.435641706e+02 1.435641706e+02 1.32 1.292229255e+02 1.292229255e+02 1.34 1.161411273e+02 1.161411273e+02 1.36 1.042360165e+02 1.042360165e+02 1.38 9.342500009e+01 9.342500009e+01 1.40 8.362674372e+01 8.362674372e+01 1.42 7.476207970e+01 7.476207970e+01 1.44 6.675473387e+01 6.675473387e+01 1.46 5.953188416e+01 5.953188416e+01 1.48 5.302456689e+01 5.302456689e+01 1.50 4.716794781e+01 4.716794781e+01 1.52 4.190147793e+01 4.190147793e+01 1.54 3.716895114e+01 3.716895114e+01 1.56 3.291847779e+01 3.291847779e+01 1.58 2.910239518e+01 2.910239518e+01 1.60 2.567712923e+01 2.567712923e+01 1.62 2.260301319e+01 2.260301319e+01 1.64 1.984407827e+01 1.984407827e+01 1.66 1.736782798e+01 1.736782798e+01 1.68 1.514500274e+01 1.514500274e+01 1.70 1.314933986e+01 1.314933986e+01 1.72 1.135733421e+01 1.135733421e+01 1.74 9.748004528e+00 9.748004528e+00 1.76 8.302666197e+00 8.302666197e+00 1.78 7.004715545e+00 7.004715545e+00 1.80 5.839421939e+00 5.839421939e+00 1.82 4.793673768e+00 4.793673768e+00 1.84 3.855711430e+00 3.855711430e+00 1.86 3.014921842e+00 3.014921842e+00 1.88 2.261706607e+00 2.261706607e+00 1.90 1.587387156e+00 1.587387156e+00 1.92 9.841192225e-01 9.841192225e-01 1.94 4.448150883e-01 4.448150883e-01 1.96 -3.692690151e-02 -3.692690151e-02 1.98 -4.668865351e-01 -4.668865351e-01 2.00 -8.502800109e-01 -8.502800109e-01 2.02 -1.191812819e+00 -1.191812819e+00 2.04 -1.495727905e+00 -1.495727905e+00 2.06 -1.765849344e+00 -1.765849344e+00 2.08 -2.005622005e+00 -2.005622005e+00 2.10 -2.218147658e+00 -2.218147658e+00 2.12 -2.406217670e+00 -2.406217670e+00 2.14 -2.572342748e+00 -2.572342748e+00 2.16 -2.718779946e+00 -2.718779946e+00 2.18 -2.847557136e+00 -2.847557136e+00 2.20 -2.960495256e+00 -2.960495256e+00 2.22 -3.059228496e+00 -3.059228496e+00 2.24 -3.145226354e+00 -3.145226354e+00 2.26 -3.219814612e+00 -3.219814612e+00 2.28 -3.284180693e+00 -3.284180693e+00 2.30 -3.339315855e+00 -3.339315855e+00 2.32 -3.385945043e+00 -3.385945043e+00 2.34 -3.424712396e+00 -3.424712396e+00 2.36 -3.456215135e+00 -3.456215135e+00 2.38 -3.481007186e+00 -3.481007186e+00 2.40 -3.499602502e+00 -3.499602502e+00 2.42 -3.512481766e+00 -3.512481766e+00 2.44 -3.520101829e+00 -3.520101829e+00 2.46 -3.522887814e+00 -3.522887814e+00 2.48 -3.521233393e+00 -3.521233393e+00 2.50 -3.515503218e+00 -3.515503218e+00 2.52 -3.506035160e+00 -3.506035160e+00 2.54 -3.493142368e+00 -3.493142368e+00 2.56 -3.477115162e+00 -3.477115162e+00 2.58 -3.458222771e+00 -3.458222771e+00 2.60 -3.436714938e+00 -3.436714938e+00 2.62 -3.412823394e+00 -3.412823394e+00 2.64 -3.386763217e+00 -3.386763217e+00 2.66 -3.358734076e+00 -3.358734076e+00 2.68 -3.328921389e+00 -3.328921389e+00 2.70 -3.297497376e+00 -3.297497376e+00 2.72 -3.264622040e+00 -3.264622040e+00 2.74 -3.230444063e+00 -3.230444063e+00 2.76 -3.195101639e+00 -3.195101639e+00 2.78 -3.158723233e+00 -3.158723233e+00 2.80 -3.121428289e+00 -3.121428289e+00 2.82 -3.083327880e+00 -3.083327880e+00 2.84 -3.044525306e+00 -3.044525306e+00 2.86 -3.005116649e+00 -3.005116649e+00 2.88 -2.965191282e+00 -2.965191282e+00 2.90 -2.924832343e+00 -2.924832343e+00 2.92 -2.884117167e+00 -2.884117167e+00 2.94 -2.843117694e+00 -2.843117694e+00 2.96 -2.801900837e+00 -2.801900837e+00 2.98 -2.760528828e+00 -2.760528828e+00 3.00 -2.719059534e+00 -2.719059534e+00 3.02 -2.677546755e+00 -2.677546755e+00 3.04 -2.636040496e+00 -2.636040496e+00 3.06 -2.594587217e+00 -2.594587217e+00 3.08 -2.553230070e+00 -2.553230070e+00 3.10 -2.512009114e+00 -2.512009114e+00 3.12 -2.470961519e+00 -2.470961519e+00 3.14 -2.430121748e+00 -2.430121748e+00 3.16 -2.389521734e+00 -2.389521734e+00 3.18 -2.349191043e+00 -2.349191043e+00 3.20 -2.309157015e+00 -2.309157015e+00 3.22 -2.269444912e+00 -2.269444912e+00 3.24 -2.230078042e+00 -2.230078042e+00 3.26 -2.191077880e+00 -2.191077880e+00 3.28 -2.152464181e+00 -2.152464181e+00 3.30 -2.114255083e+00 -2.114255083e+00 3.32 -2.076467204e+00 -2.076467204e+00 3.34 -2.039115730e+00 -2.039115730e+00 3.36 -2.002214504e+00 -2.002214504e+00 3.38 -1.965776100e+00 -1.965776100e+00 3.40 -1.929811896e+00 -1.929811896e+00 3.42 -1.894332144e+00 -1.894332144e+00 3.44 -1.859346032e+00 -1.859346032e+00 3.46 -1.824861743e+00 -1.824861743e+00 3.48 -1.790886509e+00 -1.790886509e+00 3.50 -1.757426663e+00 -1.757426663e+00 3.52 -1.724487686e+00 -1.724487686e+00 3.54 -1.692074251e+00 -1.692074251e+00 3.56 -1.660190262e+00 -1.660190262e+00 3.58 -1.628838897e+00 -1.628838897e+00 3.60 -1.598022635e+00 -1.598022635e+00 3.62 -1.567743295e+00 -1.567743295e+00 3.64 -1.538002063e+00 -1.538002063e+00 3.66 -1.508799517e+00 -1.508799517e+00 3.68 -1.480135658e+00 -1.480135658e+00 3.70 -1.452009926e+00 -1.452009926e+00 3.72 -1.424421221e+00 -1.424421221e+00 3.74 -1.397367929e+00 -1.397367929e+00 3.76 -1.370847929e+00 -1.370847929e+00 3.78 -1.344858614e+00 -1.344858614e+00 3.80 -1.319396901e+00 -1.319396901e+00 3.82 -1.294459244e+00 -1.294459244e+00 3.84 -1.270041643e+00 -1.270041643e+00 3.86 -1.246139653e+00 -1.246139653e+00 3.88 -1.222748392e+00 -1.222748392e+00 3.90 -1.199862546e+00 -1.199862546e+00 3.92 -1.177476374e+00 -1.177476374e+00 3.94 -1.155583714e+00 -1.155583714e+00 3.96 -1.134177985e+00 -1.134177985e+00 3.98 -1.113252194e+00 -1.113252194e+00 4.00 -1.092798932e+00 -1.092798932e+00 4.02 -1.072810388e+00 -1.072810388e+00 4.04 -1.053278341e+00 -1.053278341e+00 4.06 -1.034194176e+00 -1.034194176e+00 4.08 -1.015548882e+00 -1.015548882e+00 4.10 -9.973330598e-01 -9.973330598e-01 4.12 -9.795369344e-01 -9.795369344e-01 4.14 -9.621503628e-01 -9.621503628e-01 4.16 -9.451628487e-01 -9.451628487e-01 4.18 -9.285635584e-01 -9.285635584e-01 4.20 -9.123413415e-01 -9.123413415e-01 4.22 -8.964847534e-01 -8.964847534e-01 4.24 -8.809820839e-01 -8.809820839e-01 4.26 -8.658504259e-01 -8.658504259e-01 4.28 -8.516815084e-01 -8.516815084e-01 4.30 -8.400769934e-01 -8.400769934e-01 4.32 -8.309189348e-01 -8.309189348e-01 4.34 -8.181839984e-01 -8.181839984e-01 4.36 -8.043599628e-01 -8.043599628e-01 4.38 -7.907582961e-01 -7.907582961e-01 4.40 -7.773701783e-01 -7.773701783e-01 4.42 -7.641872285e-01 -7.641872285e-01 4.44 -7.512015494e-01 -7.512015494e-01 4.46 -7.384057680e-01 -7.384057680e-01 4.48 -7.257930696e-01 -7.257930696e-01 4.50 -7.133572259e-01 -7.133572259e-01 4.52 -7.010926160e-01 -7.010926160e-01 4.54 -6.889942391e-01 -6.889942391e-01 4.56 -6.770577185e-01 -6.770577185e-01 4.58 -6.652792984e-01 -6.652792984e-01 4.60 -6.536558306e-01 -6.536558306e-01 4.62 -6.421847534e-01 -6.421847534e-01 4.64 -6.308640629e-01 -6.308640629e-01 4.66 -6.196922759e-01 -6.196922759e-01 4.68 -6.086683871e-01 -6.086683871e-01 4.70 -5.977918202e-01 -5.977918202e-01 4.72 -5.870623753e-01 -5.870623753e-01 4.74 -5.764801716e-01 -5.764801716e-01 4.76 -5.660455902e-01 -5.660455902e-01 4.78 -5.557592146e-01 -5.557592146e-01 4.80 -5.456217726e-01 -5.456217726e-01 4.82 -5.356340804e-01 -5.356340804e-01 4.84 -5.257969888e-01 -5.257969888e-01 4.86 -5.161113338e-01 -5.161113338e-01 4.88 -5.065778920e-01 -5.065778920e-01 4.90 -4.971973411e-01 -4.971973411e-01 4.92 -4.870641803e-01 -4.870641803e-01 4.94 -4.645992081e-01 -4.645992081e-01 4.96 -3.975939235e-01 -3.975939235e-01 4.98 -2.319980308e-01 -2.319980308e-01 5.00 -1.743902328e-22 -1.742707190e-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 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