# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Groger-R-Vitek-V-Dlouhy-A--Co-Cr-Fe-Mn-Ni # implementation = 2020--Groger-R--Co-Cr-Fe-Mn-Ni--LAMMPS--ipr1 # composition = Co2CrFe # 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 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 2.697175949e+04 2.697175949e+04 1.12 2.168578839e+04 2.168578839e+04 1.14 1.749944126e+04 1.749944126e+04 1.16 1.417072994e+04 1.417072994e+04 1.18 1.151377926e+04 1.151377926e+04 1.20 9.385168521e+03 9.385168521e+03 1.22 7.673751677e+03 7.673751677e+03 1.24 6.293030100e+03 6.293030100e+03 1.26 5.175412528e+03 5.175412528e+03 1.28 4.267873493e+03 4.267873493e+03 1.30 3.528654290e+03 3.528654290e+03 1.32 2.924748514e+03 2.924748514e+03 1.34 2.429974605e+03 2.429974605e+03 1.36 2.023491806e+03 2.023491806e+03 1.38 1.688655498e+03 1.688655498e+03 1.40 1.412129534e+03 1.412129534e+03 1.42 1.183194389e+03 1.183194389e+03 1.44 9.932072422e+02 9.932072422e+02 1.46 8.351796148e+02 8.351796148e+02 1.48 7.034446841e+02 7.034446841e+02 1.50 5.933948569e+02 5.933948569e+02 1.52 5.012732030e+02 5.012732030e+02 1.54 4.240083915e+02 4.240083915e+02 1.56 3.590830837e+02 3.590830837e+02 1.58 3.044287893e+02 3.044287893e+02 1.60 2.583421306e+02 2.583421306e+02 1.62 2.194168878e+02 2.194168878e+02 1.64 1.864889981e+02 1.864889981e+02 1.66 1.585930262e+02 1.585930262e+02 1.68 1.349266524e+02 1.349266524e+02 1.70 1.148217526e+02 1.148217526e+02 1.72 9.772094318e+01 9.772094318e+01 1.74 8.315841411e+01 8.315841411e+01 1.76 7.074402688e+01 7.074402688e+01 1.78 6.015021786e+01 6.015021786e+01 1.80 5.110160159e+01 5.110160159e+01 1.82 4.336636024e+01 4.336636024e+01 1.84 3.674891854e+01 3.674891854e+01 1.86 3.108407291e+01 3.108407291e+01 1.88 2.623214133e+01 2.623214133e+01 1.90 2.207488533e+01 2.207488533e+01 1.92 1.851211595e+01 1.851211595e+01 1.94 1.545867510e+01 1.545867510e+01 1.96 1.284191843e+01 1.284191843e+01 1.98 1.059970435e+01 1.059970435e+01 2.00 8.678979031e+00 8.678979031e+00 2.02 7.034440014e+00 7.034440014e+00 2.04 5.627372461e+00 5.627372461e+00 2.06 4.424559064e+00 4.424559064e+00 2.08 3.397530709e+00 3.397530709e+00 2.10 2.521868785e+00 2.521868785e+00 2.12 1.776593107e+00 1.776593107e+00 2.14 1.143669323e+00 1.143669323e+00 2.16 6.075928830e-01 6.075928830e-01 2.18 1.550371051e-01 1.550371051e-01 2.20 -2.254447491e-01 -2.254447491e-01 2.22 -5.437128558e-01 -5.437128558e-01 2.24 -8.083953721e-01 -8.083953721e-01 2.26 -1.026973495e+00 -1.026973495e+00 2.28 -1.205904072e+00 -1.205904072e+00 2.30 -1.350761032e+00 -1.350761032e+00 2.32 -1.466349804e+00 -1.466349804e+00 2.34 -1.556805315e+00 -1.556805315e+00 2.36 -1.625731489e+00 -1.625731489e+00 2.38 -1.676321019e+00 -1.676321019e+00 2.40 -1.711348581e+00 -1.711348581e+00 2.42 -1.733216734e+00 -1.733216734e+00 2.44 -1.744001272e+00 -1.744001272e+00 2.46 -1.745489960e+00 -1.745489960e+00 2.48 -1.739215587e+00 -1.739215587e+00 2.50 -1.726484131e+00 -1.726484131e+00 2.52 -1.708398728e+00 -1.708398728e+00 2.54 -1.685880029e+00 -1.685880029e+00 2.56 -1.659683566e+00 -1.659683566e+00 2.58 -1.630446901e+00 -1.630446901e+00 2.60 -1.598749759e+00 -1.598749759e+00 2.62 -1.565069570e+00 -1.565069570e+00 2.64 -1.529801378e+00 -1.529801378e+00 2.66 -1.493330667e+00 -1.493330667e+00 2.68 -1.456008544e+00 -1.456008544e+00 2.70 -1.418134895e+00 -1.418134895e+00 2.72 -1.379949974e+00 -1.379949974e+00 2.74 -1.341644089e+00 -1.341644089e+00 2.76 -1.303378024e+00 -1.303378024e+00 2.78 -1.265287396e+00 -1.265287396e+00 2.80 -1.227485847e+00 -1.227485847e+00 2.82 -1.190067735e+00 -1.190067735e+00 2.84 -1.153110406e+00 -1.153110406e+00 2.86 -1.116676090e+00 -1.116676090e+00 2.88 -1.080818174e+00 -1.080818174e+00 2.90 -1.045592870e+00 -1.045592870e+00 2.92 -1.011051069e+00 -1.011051069e+00 2.94 -9.772370870e-01 -9.772370870e-01 2.96 -9.441895073e-01 -9.441895073e-01 2.98 -9.119418615e-01 -9.119418615e-01 3.00 -8.805231644e-01 -8.805231644e-01 3.02 -8.499583202e-01 -8.499583202e-01 3.04 -8.202684189e-01 -8.202684189e-01 3.06 -7.914709338e-01 -7.914709338e-01 3.08 -7.635798343e-01 -7.635798343e-01 3.10 -7.366056229e-01 -7.366056229e-01 3.12 -7.105553073e-01 -7.105553073e-01 3.14 -6.854323140e-01 -6.854323140e-01 3.16 -6.612362987e-01 -6.612362987e-01 3.18 -6.379594710e-01 -6.379594710e-01 3.20 -6.155848516e-01 -6.155848516e-01 3.22 -5.940919145e-01 -5.940919145e-01 3.24 -5.734568116e-01 -5.734568116e-01 3.26 -5.536519969e-01 -5.536519969e-01 3.28 -5.346458267e-01 -5.346458267e-01 3.30 -5.164021388e-01 -5.164021388e-01 3.32 -4.988828038e-01 -4.988828038e-01 3.34 -4.820571099e-01 -4.820571099e-01 3.36 -4.658939128e-01 -4.658939128e-01 3.38 -4.503585154e-01 -4.503585154e-01 3.40 -4.354123153e-01 -4.354123153e-01 3.42 -4.210124436e-01 -4.210124436e-01 3.44 -4.071113952e-01 -4.071113952e-01 3.46 -3.936589146e-01 -3.936589146e-01 3.48 -3.806272498e-01 -3.806272498e-01 3.50 -3.680055937e-01 -3.680055937e-01 3.52 -3.557841754e-01 -3.557841754e-01 3.54 -3.439539116e-01 -3.439539116e-01 3.56 -3.325063413e-01 -3.325063413e-01 3.58 -3.214335571e-01 -3.214335571e-01 3.60 -3.107281341e-01 -3.107281341e-01 3.62 -3.003830566e-01 -3.003830566e-01 3.64 -2.903916424e-01 -2.903916424e-01 3.66 -2.807474661e-01 -2.807474661e-01 3.68 -2.714442807e-01 -2.714442807e-01 3.70 -2.624759380e-01 -2.624759380e-01 3.72 -2.538363078e-01 -2.538363078e-01 3.74 -2.455191970e-01 -2.455191970e-01 3.76 -2.375182673e-01 -2.375182673e-01 3.78 -2.298269525e-01 -2.298269525e-01 3.80 -2.224383760e-01 -2.224383760e-01 3.82 -2.153452670e-01 -2.153452670e-01 3.84 -2.085398771e-01 -2.085398771e-01 3.86 -2.020138967e-01 -2.020138967e-01 3.88 -1.957583711e-01 -1.957583711e-01 3.90 -1.897636164e-01 -1.897636164e-01 3.92 -1.840191359e-01 -1.840191359e-01 3.94 -1.785135360e-01 -1.785135360e-01 3.96 -1.732344425e-01 -1.732344425e-01 3.98 -1.681684170e-01 -1.681684170e-01 4.00 -1.633008731e-01 -1.633008731e-01 4.02 -1.586159927e-01 -1.586159927e-01 4.04 -1.540966435e-01 -1.540966435e-01 4.06 -1.497261606e-01 -1.497261606e-01 4.08 -1.454964861e-01 -1.454964861e-01 4.10 -1.414026420e-01 -1.414026420e-01 4.12 -1.374398367e-01 -1.374398367e-01 4.14 -1.336034570e-01 -1.336034570e-01 4.16 -1.298890610e-01 -1.298890610e-01 4.18 -1.262923727e-01 -1.262923727e-01 4.20 -1.228092749e-01 -1.228092749e-01 4.22 -1.194358039e-01 -1.194358039e-01 4.24 -1.161681435e-01 -1.161681435e-01 4.26 -1.130026196e-01 -1.130026196e-01 4.28 -1.099356944e-01 -1.099356944e-01 4.30 -1.069639618e-01 -1.069639618e-01 4.32 -1.040841420e-01 -1.040841420e-01 4.34 -1.012930767e-01 -1.012930767e-01 4.36 -9.858772470e-02 -9.858772470e-02 4.38 -9.596515719e-02 -9.596515719e-02 4.40 -9.342255348e-02 -9.342255348e-02 4.42 -9.095719685e-02 -9.095719685e-02 4.44 -8.856647060e-02 -8.856647060e-02 4.46 -8.624785413e-02 -8.624785413e-02 4.48 -8.399862117e-02 -8.399862117e-02 4.50 -8.181499702e-02 -8.181499702e-02 4.52 -7.969315592e-02 -7.969315592e-02 4.54 -7.762952846e-02 -7.762952846e-02 4.56 -7.562079262e-02 -7.562079262e-02 4.58 -7.366386486e-02 -7.366386486e-02 4.60 -7.175589137e-02 -7.175589137e-02 4.62 -6.989423931e-02 -6.989423931e-02 4.64 -6.807648823e-02 -6.807648823e-02 4.66 -6.630042143e-02 -6.630042143e-02 4.68 -6.456401750e-02 -6.456401750e-02 4.70 -6.286544192e-02 -6.286544192e-02 4.72 -6.120303867e-02 -6.120303867e-02 4.74 -5.957532190e-02 -5.957532190e-02 4.76 -5.798096778e-02 -5.798096778e-02 4.78 -5.641880625e-02 -5.641880625e-02 4.80 -5.488781293e-02 -5.488781293e-02 4.82 -5.338710108e-02 -5.338710108e-02 4.84 -5.191591352e-02 -5.191591352e-02 4.86 -5.047361476e-02 -5.047361476e-02 4.88 -4.905968301e-02 -4.905968301e-02 4.90 -4.767370239e-02 -4.767370239e-02 4.92 -4.631535505e-02 -4.631535505e-02 4.94 -4.498441343e-02 -4.498441343e-02 4.96 -4.368073252e-02 -4.368073252e-02 4.98 -4.240424216e-02 -4.240424216e-02 5.00 -4.115493941e-02 -4.115493941e-02 5.02 -3.993288092e-02 -3.993288092e-02 5.04 -3.873817534e-02 -3.873817534e-02 5.06 -3.757097580e-02 -3.757097580e-02 5.08 -3.643147237e-02 -3.643147237e-02 5.10 -3.531988460e-02 -3.531988460e-02 5.12 -3.423645408e-02 -3.423645408e-02 5.14 -3.318143697e-02 -3.318143697e-02 5.16 -3.215506382e-02 -3.215506382e-02 5.18 -3.115682861e-02 -3.115682861e-02 5.20 -3.018556292e-02 -3.018556292e-02 5.22 -2.924018350e-02 -2.924018350e-02 5.24 -2.831971477e-02 -2.831971477e-02 5.26 -2.742327783e-02 -2.742327783e-02 5.28 -2.655007939e-02 -2.655007939e-02 5.30 -2.569940079e-02 -2.569940079e-02 5.32 -2.487058695e-02 -2.487058695e-02 5.34 -2.406303530e-02 -2.406303530e-02 5.36 -2.327618480e-02 -2.327618480e-02 5.38 -2.250950491e-02 -2.250950491e-02 5.40 -2.176248450e-02 -2.176248450e-02 5.42 -2.103462088e-02 -2.103462088e-02 5.44 -2.032540876e-02 -2.032540876e-02 5.46 -1.963432918e-02 -1.963432918e-02 5.48 -1.896083853e-02 -1.896083853e-02 5.50 -1.830435747e-02 -1.830435747e-02 5.52 -1.766425996e-02 -1.766425996e-02 5.54 -1.703986216e-02 -1.703986216e-02 5.56 -1.643041145e-02 -1.643041145e-02 5.58 -1.583507537e-02 -1.583507537e-02 5.60 -1.525293062e-02 -1.525293062e-02 5.62 -1.468295198e-02 -1.468295198e-02 5.64 -1.412400135e-02 -1.412400135e-02 5.66 -1.357481664e-02 -1.357481664e-02 5.68 -1.303400080e-02 -1.303400080e-02 5.70 -1.250001076e-02 -1.250001076e-02 5.72 -1.197115036e-02 -1.197115036e-02 5.74 -1.144629874e-02 -1.144629874e-02 5.76 -1.092585733e-02 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