# 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 = CrFeMn2 # 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 3.599661092e+04 3.599661092e+04 1.12 2.895644764e+04 2.895644764e+04 1.14 2.337938456e+04 2.337938456e+04 1.16 1.894361022e+04 1.894361022e+04 1.18 1.540191497e+04 1.540191497e+04 1.20 1.256353493e+04 1.256353493e+04 1.22 1.028061931e+04 1.028061931e+04 1.24 8.438091329e+03 8.438091329e+03 1.26 6.946017180e+03 6.946017180e+03 1.28 5.733834211e+03 5.733834211e+03 1.30 4.745965232e+03 4.745965232e+03 1.32 3.938474768e+03 3.938474768e+03 1.34 3.276506101e+03 3.276506101e+03 1.36 2.732308209e+03 2.732308209e+03 1.38 2.283713270e+03 2.283713270e+03 1.40 1.912955965e+03 1.912955965e+03 1.42 1.605753522e+03 1.605753522e+03 1.44 1.350587559e+03 1.350587559e+03 1.46 1.138141956e+03 1.138141956e+03 1.48 9.608602052e+02 9.608602052e+02 1.50 8.125961748e+02 8.125961748e+02 1.52 6.883368033e+02 6.883368033e+02 1.54 5.839824122e+02 5.839824122e+02 1.56 4.961715686e+02 4.961715686e+02 1.58 4.221411461e+02 4.221411461e+02 1.60 3.596146825e+02 3.596146825e+02 1.62 3.067120036e+02 3.067120036e+02 1.64 2.618761476e+02 2.618761476e+02 1.66 2.238152112e+02 2.238152112e+02 1.68 1.914549875e+02 1.914549875e+02 1.70 1.639004197e+02 1.639004197e+02 1.72 1.404043003e+02 1.404043003e+02 1.74 1.203416996e+02 1.203416996e+02 1.76 1.031888240e+02 1.031888240e+02 1.78 8.850562079e+01 8.850562079e+01 1.80 7.592184035e+01 7.592184035e+01 1.82 6.512550809e+01 6.512550809e+01 1.84 5.585319361e+01 5.585319361e+01 1.86 4.788214492e+01 4.788214492e+01 1.88 4.102378300e+01 4.102378300e+01 1.90 3.511824911e+01 3.511824911e+01 1.92 3.002986575e+01 3.002986575e+01 1.94 2.564316644e+01 2.564316644e+01 1.96 2.185958192e+01 2.185958192e+01 1.98 1.859476027e+01 1.859476027e+01 2.00 1.577658668e+01 1.577658668e+01 2.02 1.334337409e+01 1.334337409e+01 2.04 1.124230182e+01 1.124230182e+01 2.06 9.427992174e+00 9.427992174e+00 2.08 7.861476344e+00 7.861476344e+00 2.10 6.509256635e+00 6.509256635e+00 2.12 5.342491278e+00 5.342491278e+00 2.14 4.336328965e+00 4.336328965e+00 2.16 3.469345757e+00 3.469345757e+00 2.18 2.723067861e+00 2.723067861e+00 2.20 2.081566784e+00 2.081566784e+00 2.22 1.531075226e+00 1.531075226e+00 2.24 1.059556530e+00 1.059556530e+00 2.26 6.565510862e-01 6.565510862e-01 2.28 3.129956899e-01 3.129956899e-01 2.30 2.103285491e-02 2.103285491e-02 2.32 -2.261461237e-01 -2.261461237e-01 2.34 -4.344357902e-01 -4.344357902e-01 2.36 -6.089865557e-01 -6.089865557e-01 2.38 -7.543508429e-01 -7.543508429e-01 2.40 -8.745012373e-01 -8.745012373e-01 2.42 -9.728969695e-01 -9.728969695e-01 2.44 -1.052547008e+00 -1.052547008e+00 2.46 -1.116064196e+00 -1.116064196e+00 2.48 -1.165711695e+00 -1.165711695e+00 2.50 -1.203442814e+00 -1.203442814e+00 2.52 -1.230935141e+00 -1.230935141e+00 2.54 -1.249619771e+00 -1.249619771e+00 2.56 -1.260706425e+00 -1.260706425e+00 2.58 -1.265236740e+00 -1.265236740e+00 2.60 -1.264149426e+00 -1.264149426e+00 2.62 -1.258242056e+00 -1.258242056e+00 2.64 -1.248195395e+00 -1.248195395e+00 2.66 -1.234649200e+00 -1.234649200e+00 2.68 -1.218181414e+00 -1.218181414e+00 2.70 -1.199294772e+00 -1.199294772e+00 2.72 -1.178411302e+00 -1.178411302e+00 2.74 -1.155884337e+00 -1.155884337e+00 2.76 -1.132020810e+00 -1.132020810e+00 2.78 -1.107087472e+00 -1.107087472e+00 2.80 -1.081315719e+00 -1.081315719e+00 2.82 -1.054905745e+00 -1.054905745e+00 2.84 -1.028030102e+00 -1.028030102e+00 2.86 -1.000836748e+00 -1.000836748e+00 2.88 -9.734562319e-01 -9.734562319e-01 2.90 -9.460140785e-01 -9.460140785e-01 2.92 -9.186236182e-01 -9.186236182e-01 2.94 -8.913854879e-01 -8.913854879e-01 2.96 -8.643891115e-01 -8.643891115e-01 2.98 -8.377139457e-01 -8.377139457e-01 3.00 -8.114305195e-01 -8.114305195e-01 3.02 -7.856012938e-01 -7.856012938e-01 3.04 -7.602813605e-01 -7.602813605e-01 3.06 -7.355190031e-01 -7.355190031e-01 3.08 -7.113561332e-01 -7.113561332e-01 3.10 -6.878286193e-01 -6.878286193e-01 3.12 -6.649665201e-01 -6.649665201e-01 3.14 -6.427942339e-01 -6.427942339e-01 3.16 -6.213305213e-01 -6.213305213e-01 3.18 -6.005850844e-01 -6.005850844e-01 3.20 -5.805570241e-01 -5.805570241e-01 3.22 -5.612405322e-01 -5.612405322e-01 3.24 -5.426252479e-01 -5.426252479e-01 3.26 -5.246960102e-01 -5.246960102e-01 3.28 -5.074325744e-01 -5.074325744e-01 3.30 -4.908092982e-01 -4.908092982e-01 3.32 -4.747977315e-01 -4.747977315e-01 3.34 -4.593758992e-01 -4.593758992e-01 3.36 -4.445206740e-01 -4.445206740e-01 3.38 -4.302047808e-01 -4.302047808e-01 3.40 -4.163965093e-01 -4.163965093e-01 3.42 -4.030594120e-01 -4.030594120e-01 3.44 -3.901519883e-01 -3.901519883e-01 3.46 -3.776295859e-01 -3.776295859e-01 3.48 -3.654692984e-01 -3.654692984e-01 3.50 -3.536645301e-01 -3.536645301e-01 3.52 -3.422093684e-01 -3.422093684e-01 3.54 -3.310982704e-01 -3.310982704e-01 3.56 -3.203260255e-01 -3.203260255e-01 3.58 -3.098877119e-01 -3.098877119e-01 3.60 -2.997786494e-01 -2.997786494e-01 3.62 -2.899943468e-01 -2.899943468e-01 3.64 -2.805304467e-01 -2.805304467e-01 3.66 -2.713826662e-01 -2.713826662e-01 3.68 -2.625467349e-01 -2.625467349e-01 3.70 -2.540183311e-01 -2.540183311e-01 3.72 -2.457930148e-01 -2.457930148e-01 3.74 -2.378661596e-01 -2.378661596e-01 3.76 -2.302328825e-01 -2.302328825e-01 3.78 -2.228879723e-01 -2.228879723e-01 3.80 -2.158258170e-01 -2.158258170e-01 3.82 -2.090403302e-01 -2.090403302e-01 3.84 -2.025248761e-01 -2.025248761e-01 3.86 -1.962721939e-01 -1.962721939e-01 3.88 -1.902743218e-01 -1.902743218e-01 3.90 -1.845225205e-01 -1.845225205e-01 3.92 -1.790071955e-01 -1.790071955e-01 3.94 -1.737178198e-01 -1.737178198e-01 3.96 -1.686428557e-01 -1.686428557e-01 3.98 -1.637696772e-01 -1.637696772e-01 4.00 -1.590844906e-01 -1.590844906e-01 4.02 -1.545722571e-01 -1.545722571e-01 4.04 -1.502166132e-01 -1.502166132e-01 4.06 -1.460016221e-01 -1.460016221e-01 4.08 -1.419197575e-01 -1.419197575e-01 4.10 -1.379664860e-01 -1.379664860e-01 4.12 -1.341374319e-01 -1.341374319e-01 4.14 -1.304283704e-01 -1.304283704e-01 4.16 -1.268352236e-01 -1.268352236e-01 4.18 -1.233540559e-01 -1.233540559e-01 4.20 -1.199810690e-01 -1.199810690e-01 4.22 -1.167125980e-01 -1.167125980e-01 4.24 -1.135451068e-01 -1.135451068e-01 4.26 -1.104751838e-01 -1.104751838e-01 4.28 -1.074995378e-01 -1.074995378e-01 4.30 -1.046149940e-01 -1.046149940e-01 4.32 -1.018184898e-01 -1.018184898e-01 4.34 -9.910707114e-02 -9.910707114e-02 4.36 -9.647788852e-02 -9.647788852e-02 4.38 -9.392819353e-02 -9.392819353e-02 4.40 -9.145533519e-02 -9.145533519e-02 4.42 -8.905675650e-02 -8.905675650e-02 4.44 -8.672999113e-02 -8.672999113e-02 4.46 -8.447266014e-02 -8.447266014e-02 4.48 -8.228217609e-02 -8.228217609e-02 4.50 -8.015491600e-02 -8.015491600e-02 4.52 -7.808720130e-02 -7.808720130e-02 4.54 -7.607560005e-02 -7.607560005e-02 4.56 -7.411691850e-02 -7.411691850e-02 4.58 -7.220819264e-02 -7.220819264e-02 4.60 -7.034667991e-02 -7.034667991e-02 4.62 -6.852985085e-02 -6.852985085e-02 4.64 -6.675538091e-02 -6.675538091e-02 4.66 -6.502114225e-02 -6.502114225e-02 4.68 -6.332519560e-02 -6.332519560e-02 4.70 -6.166578225e-02 -6.166578225e-02 4.72 -6.004131593e-02 -6.004131593e-02 4.74 -5.845037493e-02 -5.845037493e-02 4.76 -5.689169413e-02 -5.689169413e-02 4.78 -5.536415715e-02 -5.536415715e-02 4.80 -5.386678848e-02 -5.386678848e-02 4.82 -5.239874576e-02 -5.239874576e-02 4.84 -5.095931199e-02 -5.095931199e-02 4.86 -4.954788784e-02 -4.954788784e-02 4.88 -4.816398403e-02 -4.816398403e-02 4.90 -4.680721367e-02 -4.680721367e-02 4.92 -4.547728469e-02 -4.547728469e-02 4.94 -4.417399233e-02 -4.417399233e-02 4.96 -4.289721158e-02 -4.289721158e-02 4.98 -4.164688977e-02 -4.164688977e-02 5.00 -4.042303908e-02 -4.042303908e-02 5.02 -3.922572917e-02 -3.922572917e-02 5.04 -3.805507979e-02 -3.805507979e-02 5.06 -3.691125342e-02 -3.691125342e-02 5.08 -3.579444801e-02 -3.579444801e-02 5.10 -3.470488963e-02 -3.470488963e-02 5.12 -3.364282522e-02 -3.364282522e-02 5.14 -3.260851542e-02 -3.260851542e-02 5.16 -3.160219487e-02 -3.160219487e-02 5.18 -3.062337169e-02 -3.062337169e-02 5.20 -2.967090062e-02 -2.967090062e-02 5.22 -2.874372000e-02 -2.874372000e-02 5.24 -2.784087405e-02 -2.784087405e-02 5.26 -2.696150201e-02 -2.696150201e-02 5.28 -2.610482736e-02 -2.610482736e-02 5.30 -2.527014694e-02 -2.527014694e-02 5.32 -2.445682016e-02 -2.445682016e-02 5.34 -2.366425818e-02 -2.366425818e-02 5.36 -2.289191305e-02 -2.289191305e-02 5.38 -2.213926692e-02 -2.213926692e-02 5.40 -2.140582118e-02 -2.140582118e-02 5.42 -2.069108565e-02 -2.069108565e-02 5.44 -1.999456777e-02 -1.999456777e-02 5.46 -1.931576173e-02 -1.931576173e-02 5.48 -1.865413770e-02 -1.865413770e-02 5.50 -1.800913096e-02 -1.800913096e-02 5.52 -1.738013107e-02 -1.738013107e-02 5.54 -1.676647109e-02 -1.676647109e-02 5.56 -1.616741671e-02 -1.616741671e-02 5.58 -1.558215545e-02 -1.558215545e-02 5.60 -1.500978579e-02 -1.500978579e-02 5.62 -1.444930641e-02 -1.444930641e-02 5.64 -1.389960532e-02 -1.389960532e-02 5.66 -1.335944903e-02 -1.335944903e-02 5.68 -1.282747175e-02 -1.282747175e-02 5.70 -1.230216455e-02 -1.230216455e-02 5.72 -1.178186840e-02 -1.178186840e-02 5.74 -1.126548850e-02 -1.126548850e-02 5.76 -1.075342292e-02 -1.075342292e-02 5.78 -1.024629454e-02 -1.024629454e-02 5.80 -9.744750173e-03 -9.744750173e-03 5.82 -9.249456266e-03 -9.249456266e-03 5.84 -8.761094625e-03 -8.761094625e-03 5.86 -8.280358158e-03 -8.280358158e-03 5.88 -7.807946596e-03 -7.807946596e-03 5.90 -7.344562228e-03 -7.344562228e-03 5.92 -6.890905630e-03 -6.890905630e-03 5.94 -6.447671389e-03 -6.447671389e-03 5.96 -6.015543842e-03 -6.015543842e-03 5.98 -5.595192796e-03 -5.595192796e-03 6.00 -5.187269264e-03 -5.187269264e-03