# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2022--Daramola-A-Bonny-G-Adjanor-G-et-al--Fe-Ni-Cr-Mn # implementation = 2022--Daramola-A--Fe-Ni-Cr-Mn--LAMMPS--ipr1 # composition = CrFe2Ni # 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 2024-11-27 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 4.711535594e+04 4.711535594e+04 1.02 4.323869239e+04 4.323869239e+04 1.04 3.968887861e+04 3.968887861e+04 1.06 3.643575594e+04 3.643575594e+04 1.08 3.344927452e+04 3.344927452e+04 1.10 3.070230464e+04 3.070230464e+04 1.12 2.818145875e+04 2.818145875e+04 1.14 2.586672255e+04 2.586672255e+04 1.16 2.373274873e+04 2.373274873e+04 1.18 2.176341590e+04 2.176341590e+04 1.20 1.994528549e+04 1.994528549e+04 1.22 1.826293245e+04 1.826293245e+04 1.24 1.670407983e+04 1.670407983e+04 1.26 1.525776683e+04 1.525776683e+04 1.28 1.391384720e+04 1.391384720e+04 1.30 1.266342590e+04 1.266342590e+04 1.32 1.149845013e+04 1.149845013e+04 1.34 1.041376528e+04 1.041376528e+04 1.36 9.407333686e+03 9.407333686e+03 1.38 8.475539956e+03 8.475539956e+03 1.40 7.609399220e+03 7.609399220e+03 1.42 6.800031446e+03 6.800031446e+03 1.44 6.041955121e+03 6.041955121e+03 1.46 5.332042233e+03 5.332042233e+03 1.48 4.669676020e+03 4.669676020e+03 1.50 4.055211985e+03 4.055211985e+03 1.52 3.485341914e+03 3.485341914e+03 1.54 2.954184506e+03 2.954184506e+03 1.56 2.456971284e+03 2.456971284e+03 1.58 1.990787491e+03 1.990787491e+03 1.60 1.566607924e+03 1.566607924e+03 1.62 1.228663564e+03 1.228663564e+03 1.64 9.638838875e+02 9.638838875e+02 1.66 7.565543985e+02 7.565543985e+02 1.68 5.942986243e+02 5.942986243e+02 1.70 4.670953491e+02 4.670953491e+02 1.72 3.670846195e+02 3.670846195e+02 1.74 2.882856573e+02 2.882856573e+02 1.76 2.261332437e+02 2.261332437e+02 1.78 1.770858801e+02 1.770858801e+02 1.80 1.383849306e+02 1.383849306e+02 1.82 1.078747179e+02 1.078747179e+02 1.84 8.383002025e+01 8.383002025e+01 1.86 6.487534651e+01 6.487534651e+01 1.88 4.995094144e+01 4.995094144e+01 1.90 3.824108347e+01 3.824108347e+01 1.92 2.909319934e+01 2.909319934e+01 1.94 2.196124240e+01 2.196124240e+01 1.96 1.639170075e+01 1.639170075e+01 1.98 1.202770532e+01 1.202770532e+01 2.00 8.597185097e+00 8.597185097e+00 2.02 5.892306974e+00 5.892306974e+00 2.04 3.755197688e+00 3.755197688e+00 2.06 2.062406402e+00 2.062406402e+00 2.08 7.173134205e-01 7.173134205e-01 2.10 -3.549526825e-01 -3.549526825e-01 2.12 -1.211073939e+00 -1.211073939e+00 2.14 -1.894797187e+00 -1.894797187e+00 2.16 -2.439957023e+00 -2.439957023e+00 2.18 -2.873212575e+00 -2.873212575e+00 2.20 -3.216239889e+00 -3.216239889e+00 2.22 -3.485913033e+00 -3.485913033e+00 2.24 -3.694796019e+00 -3.694796019e+00 2.26 -3.852604895e+00 -3.852604895e+00 2.28 -3.967455061e+00 -3.967455061e+00 2.30 -4.047292836e+00 -4.047292836e+00 2.32 -4.100883706e+00 -4.100883706e+00 2.34 -4.137622110e+00 -4.137622110e+00 2.36 -4.165362028e+00 -4.165362028e+00 2.38 -4.187824527e+00 -4.187824527e+00 2.40 -4.204775591e+00 -4.204775591e+00 2.42 -4.214683603e+00 -4.214683603e+00 2.44 -4.216599745e+00 -4.216599745e+00 2.46 -4.210519059e+00 -4.210519059e+00 2.48 -4.197169597e+00 -4.197169597e+00 2.50 -4.177306910e+00 -4.177306910e+00 2.52 -4.151632855e+00 -4.151632855e+00 2.54 -4.120817535e+00 -4.120817535e+00 2.56 -4.085513927e+00 -4.085513927e+00 2.58 -4.046339956e+00 -4.046339956e+00 2.60 -4.003779409e+00 -4.003779409e+00 2.62 -3.958256486e+00 -3.958256486e+00 2.64 -3.910194552e+00 -3.910194552e+00 2.66 -3.860039539e+00 -3.860039539e+00 2.68 -3.808255283e+00 -3.808255283e+00 2.70 -3.755298549e+00 -3.755298549e+00 2.72 -3.701548063e+00 -3.701548063e+00 2.74 -3.647276703e+00 -3.647276703e+00 2.76 -3.592622445e+00 -3.592622445e+00 2.78 -3.537712993e+00 -3.537712993e+00 2.80 -3.482686146e+00 -3.482686146e+00 2.82 -3.427695229e+00 -3.427695229e+00 2.84 -3.372912641e+00 -3.372912641e+00 2.86 -3.318530247e+00 -3.318530247e+00 2.88 -3.264748450e+00 -3.264748450e+00 2.90 -3.211758806e+00 -3.211758806e+00 2.92 -3.159668199e+00 -3.159668199e+00 2.94 -3.108530629e+00 -3.108530629e+00 2.96 -3.058383876e+00 -3.058383876e+00 2.98 -3.009120292e+00 -3.009120292e+00 3.00 -2.960557944e+00 -2.960557944e+00 3.02 -2.912505596e+00 -2.912505596e+00 3.04 -2.864765499e+00 -2.864765499e+00 3.06 -2.817124268e+00 -2.817124268e+00 3.08 -2.769346273e+00 -2.769346273e+00 3.10 -2.721147827e+00 -2.721147827e+00 3.12 -2.672187955e+00 -2.672187955e+00 3.14 -2.622096244e+00 -2.622096244e+00 3.16 -2.570478790e+00 -2.570478790e+00 3.18 -2.516962348e+00 -2.516962348e+00 3.20 -2.461288445e+00 -2.461288445e+00 3.22 -2.403322716e+00 -2.403322716e+00 3.24 -2.343210327e+00 -2.343210327e+00 3.26 -2.281489078e+00 -2.281489078e+00 3.28 -2.219119586e+00 -2.219119586e+00 3.30 -2.157409145e+00 -2.157409145e+00 3.32 -2.097709850e+00 -2.097709850e+00 3.34 -2.040968115e+00 -2.040968115e+00 3.36 -1.987402498e+00 -1.987402498e+00 3.38 -1.936542743e+00 -1.936542743e+00 3.40 -1.887541864e+00 -1.887541864e+00 3.42 -1.839550728e+00 -1.839550728e+00 3.44 -1.791952692e+00 -1.791952692e+00 3.46 -1.744428480e+00 -1.744428480e+00 3.48 -1.696915598e+00 -1.696915598e+00 3.50 -1.649459791e+00 -1.649459791e+00 3.52 -1.602101358e+00 -1.602101358e+00 3.54 -1.554865484e+00 -1.554865484e+00 3.56 -1.507758621e+00 -1.507758621e+00 3.58 -1.460763980e+00 -1.460763980e+00 3.60 -1.413836327e+00 -1.413836327e+00 3.62 -1.366896422e+00 -1.366896422e+00 3.64 -1.319826025e+00 -1.319826025e+00 3.66 -1.272465520e+00 -1.272465520e+00 3.68 -1.224617951e+00 -1.224617951e+00 3.70 -1.176065888e+00 -1.176065888e+00 3.72 -1.126610471e+00 -1.126610471e+00 3.74 -1.076150838e+00 -1.076150838e+00 3.76 -1.024800622e+00 -1.024800622e+00 3.78 -9.730145190e-01 -9.730145190e-01 3.80 -9.217040527e-01 -9.217040527e-01 3.82 -8.721965601e-01 -8.721965601e-01 3.84 -8.260857801e-01 -8.260857801e-01 3.86 -7.849326510e-01 -7.849326510e-01 3.88 -7.497999522e-01 -7.497999522e-01 3.90 -7.207632667e-01 -7.207632667e-01 3.92 -6.971544814e-01 -6.971544814e-01 3.94 -6.781795542e-01 -6.781795542e-01 3.96 -6.624251335e-01 -6.624251335e-01 3.98 -6.487369646e-01 -6.487369646e-01 4.00 -6.363632698e-01 -6.363632698e-01 4.02 -6.250346907e-01 -6.250346907e-01 4.04 -6.145405721e-01 -6.145405721e-01 4.06 -6.046793545e-01 -6.046793545e-01 4.08 -5.952738015e-01 -5.952738015e-01 4.10 -5.861598811e-01 -5.861598811e-01 4.12 -5.771894459e-01 -5.771894459e-01 4.14 -5.682295931e-01 -5.682295931e-01 4.16 -5.591683564e-01 -5.591683564e-01 4.18 -5.499438831e-01 -5.499438831e-01 4.20 -5.405178728e-01 -5.405178728e-01 4.22 -5.308585565e-01 -5.308585565e-01 4.24 -5.209367756e-01 -5.209367756e-01 4.26 -5.107684291e-01 -5.107684291e-01 4.28 -5.003690286e-01 -5.003690286e-01 4.30 -4.897770440e-01 -4.897770440e-01 4.32 -4.790454582e-01 -4.790454582e-01 4.34 -4.682094956e-01 -4.682094956e-01 4.36 -4.573009984e-01 -4.573009984e-01 4.38 -4.463434170e-01 -4.463434170e-01 4.40 -4.353518534e-01 -4.353518534e-01 4.42 -4.243285102e-01 -4.243285102e-01 4.44 -4.132681840e-01 -4.132681840e-01 4.46 -4.021770586e-01 -4.021770586e-01 4.48 -3.910532627e-01 -3.910532627e-01 4.50 -3.798861457e-01 -3.798861457e-01 4.52 -3.686556655e-01 -3.686556655e-01 4.54 -3.573190158e-01 -3.573190158e-01 4.56 -3.457034444e-01 -3.457034444e-01 4.58 -3.338211682e-01 -3.338211682e-01 4.60 -3.217673168e-01 -3.217673168e-01 4.62 -3.096860155e-01 -3.096860155e-01 4.64 -2.978007983e-01 -2.978007983e-01 4.66 -2.864193234e-01 -2.864193234e-01 4.68 -2.758938103e-01 -2.758938103e-01 4.70 -2.665386870e-01 -2.665386870e-01 4.72 -2.585368822e-01 -2.585368822e-01 4.74 -2.519879484e-01 -2.519879484e-01 4.76 -2.466212508e-01 -2.466212508e-01 4.78 -2.420364027e-01 -2.420364027e-01 4.80 -2.378709906e-01 -2.378709906e-01 4.82 -2.338444099e-01 -2.338444099e-01 4.84 -2.297687518e-01 -2.297687518e-01 4.86 -2.255399543e-01 -2.255399543e-01 4.88 -2.211135298e-01 -2.211135298e-01 4.90 -2.164665144e-01 -2.164665144e-01 4.92 -2.115848886e-01 -2.115848886e-01 4.94 -2.064612081e-01 -2.064612081e-01 4.96 -2.010926317e-01 -2.010926317e-01 4.98 -1.954791671e-01 -1.954791671e-01 5.00 -1.896220728e-01 -1.896220728e-01 5.02 -1.835215994e-01 -1.835215994e-01 5.04 -1.771417624e-01 -1.771417624e-01 5.06 -1.705043928e-01 -1.705043928e-01 5.08 -1.636553171e-01 -1.636553171e-01 5.10 -1.566256014e-01 -1.566256014e-01 5.12 -1.494322810e-01 -1.494322810e-01 5.14 -1.420788201e-01 -1.420788201e-01 5.16 -1.345554128e-01 -1.345554128e-01 5.18 -1.268393324e-01 -1.268393324e-01 5.20 -1.188956918e-01 -1.188956918e-01 5.22 -1.106792435e-01 -1.106792435e-01 5.24 -1.021382331e-01 -1.021382331e-01 5.26 -9.322181069e-02 -9.322181069e-02 5.28 -8.389293398e-02 -8.389293398e-02 5.30 -7.414858830e-02 -7.414858830e-02 5.32 -6.404754069e-02 -6.404754069e-02 5.34 -5.374145383e-02 -5.374145383e-02 5.36 -4.349761051e-02 -4.349761051e-02 5.38 -3.369398184e-02 -3.369398184e-02 5.40 -2.476875926e-02 -2.476875926e-02 5.42 -1.712582712e-02 -1.712582712e-02 5.44 -1.102927268e-02 -1.102927268e-02 5.46 -6.537297304e-03 -6.537297304e-03 5.48 -3.506691827e-03 -3.506691827e-03 5.50 -1.657359570e-03 -1.657359570e-03 5.52 -6.585145412e-04 -6.585145412e-04 5.54 -2.007382032e-04 -2.007382032e-04 5.56 -3.805085516e-05 -3.805085516e-05 5.58 -2.278000942e-06 -2.278000942e-06 5.60 -1.286703179e-11 -1.287702903e-11 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