# 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 = FeMnNi2 # 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 2.138073833e+04 2.138073833e+04 1.02 1.960011264e+04 1.960011264e+04 1.04 1.796772353e+04 1.796772353e+04 1.06 1.647329764e+04 1.647329764e+04 1.08 1.510369019e+04 1.510369019e+04 1.10 1.384401472e+04 1.384401472e+04 1.12 1.268310632e+04 1.268310632e+04 1.14 1.161222639e+04 1.161222639e+04 1.16 1.062337595e+04 1.062337595e+04 1.18 9.710049512e+03 9.710049512e+03 1.20 8.866142746e+03 8.866142746e+03 1.22 8.084555623e+03 8.084555623e+03 1.24 7.359649965e+03 7.359649965e+03 1.26 6.686557383e+03 6.686557383e+03 1.28 6.060927161e+03 6.060927161e+03 1.30 5.478834890e+03 5.478834890e+03 1.32 4.936538059e+03 4.936538059e+03 1.34 4.431671009e+03 4.431671009e+03 1.36 3.963535552e+03 3.963535552e+03 1.38 3.530729761e+03 3.530729761e+03 1.40 3.129188864e+03 3.129188864e+03 1.42 2.754948681e+03 2.754948681e+03 1.44 2.405638814e+03 2.405638814e+03 1.46 2.079387835e+03 2.079387835e+03 1.48 1.774291398e+03 1.774291398e+03 1.50 1.488749048e+03 1.488749048e+03 1.52 1.222596249e+03 1.222596249e+03 1.54 9.809937790e+02 9.809937790e+02 1.56 7.788778244e+02 7.788778244e+02 1.58 6.187555790e+02 6.187555790e+02 1.60 4.917929147e+02 4.917929147e+02 1.62 3.910186821e+02 3.910186821e+02 1.64 3.109360453e+02 3.109360453e+02 1.66 2.473337850e+02 2.473337850e+02 1.68 1.968448276e+02 1.968448276e+02 1.70 1.566844501e+02 1.566844501e+02 1.72 1.246358671e+02 1.246358671e+02 1.74 9.899612498e+01 9.899612498e+01 1.76 7.845735977e+01 7.845735977e+01 1.78 6.200100471e+01 6.200100471e+01 1.80 4.882425993e+01 4.882425993e+01 1.82 3.828928159e+01 3.828928159e+01 1.84 2.987322835e+01 2.987322835e+01 1.86 2.314872793e+01 2.314872793e+01 1.88 1.777662386e+01 1.777662386e+01 1.90 1.348731193e+01 1.348731193e+01 1.92 1.006416726e+01 1.006416726e+01 1.94 7.331502840e+00 7.331502840e+00 1.96 5.146337805e+00 5.146337805e+00 1.98 3.391717966e+00 3.391717966e+00 2.00 1.972077202e+00 1.972077202e+00 2.02 8.131014257e-01 8.131014257e-01 2.04 -1.375587750e-01 -1.375587750e-01 2.06 -9.197632233e-01 -9.197632233e-01 2.08 -1.565238557e+00 -1.565238557e+00 2.10 -2.099318982e+00 -2.099318982e+00 2.12 -2.541602304e+00 -2.541602304e+00 2.14 -2.906149042e+00 -2.906149042e+00 2.16 -3.203025456e+00 -3.203025456e+00 2.18 -3.440273520e+00 -3.440273520e+00 2.20 -3.625957135e+00 -3.625957135e+00 2.22 -3.767061375e+00 -3.767061375e+00 2.24 -3.869377787e+00 -3.869377787e+00 2.26 -3.938775780e+00 -3.938775780e+00 2.28 -3.980787015e+00 -3.980787015e+00 2.30 -4.001047887e+00 -4.001047887e+00 2.32 -4.005787505e+00 -4.005787505e+00 2.34 -4.001587720e+00 -4.001587720e+00 2.36 -3.993761919e+00 -3.993761919e+00 2.38 -3.984311229e+00 -3.984311229e+00 2.40 -3.972753862e+00 -3.972753862e+00 2.42 -3.957941943e+00 -3.957941943e+00 2.44 -3.939084797e+00 -3.939084797e+00 2.46 -3.915971354e+00 -3.915971354e+00 2.48 -3.889017984e+00 -3.889017984e+00 2.50 -3.858670083e+00 -3.858670083e+00 2.52 -3.825240807e+00 -3.825240807e+00 2.54 -3.789031944e+00 -3.789031944e+00 2.56 -3.750340294e+00 -3.750340294e+00 2.58 -3.709461866e+00 -3.709461866e+00 2.60 -3.666688801e+00 -3.666688801e+00 2.62 -3.622261232e+00 -3.622261232e+00 2.64 -3.576399796e+00 -3.576399796e+00 2.66 -3.529399708e+00 -3.529399708e+00 2.68 -3.481605648e+00 -3.481605648e+00 2.70 -3.433299162e+00 -3.433299162e+00 2.72 -3.384774280e+00 -3.384774280e+00 2.74 -3.336190707e+00 -3.336190707e+00 2.76 -3.287449968e+00 -3.287449968e+00 2.78 -3.238410041e+00 -3.238410041e+00 2.80 -3.188993558e+00 -3.188993558e+00 2.82 -3.139175787e+00 -3.139175787e+00 2.84 -3.088923294e+00 -3.088923294e+00 2.86 -3.038203356e+00 -3.038203356e+00 2.88 -2.986977923e+00 -2.986977923e+00 2.90 -2.935201834e+00 -2.935201834e+00 2.92 -2.882832735e+00 -2.882832735e+00 2.94 -2.829838622e+00 -2.829838622e+00 2.96 -2.776197436e+00 -2.776197436e+00 2.98 -2.721897702e+00 -2.721897702e+00 3.00 -2.667037583e+00 -2.667037583e+00 3.02 -2.611814496e+00 -2.611814496e+00 3.04 -2.556438175e+00 -2.556438175e+00 3.06 -2.501124338e+00 -2.501124338e+00 3.08 -2.446083157e+00 -2.446083157e+00 3.10 -2.391419114e+00 -2.391419114e+00 3.12 -2.337119293e+00 -2.337119293e+00 3.14 -2.283160262e+00 -2.283160262e+00 3.16 -2.229513466e+00 -2.229513466e+00 3.18 -2.176144572e+00 -2.176144572e+00 3.20 -2.123014599e+00 -2.123014599e+00 3.22 -2.070084961e+00 -2.070084961e+00 3.24 -2.017348088e+00 -2.017348088e+00 3.26 -1.964889879e+00 -1.964889879e+00 3.28 -1.912877787e+00 -1.912877787e+00 3.30 -1.861536178e+00 -1.861536178e+00 3.32 -1.811032591e+00 -1.811032591e+00 3.34 -1.761470219e+00 -1.761470219e+00 3.36 -1.712794386e+00 -1.712794386e+00 3.38 -1.664779386e+00 -1.664779386e+00 3.40 -1.617117463e+00 -1.617117463e+00 3.42 -1.569512933e+00 -1.569512933e+00 3.44 -1.521730560e+00 -1.521730560e+00 3.46 -1.473703820e+00 -1.473703820e+00 3.48 -1.425482678e+00 -1.425482678e+00 3.50 -1.377133653e+00 -1.377133653e+00 3.52 -1.328719785e+00 -1.328719785e+00 3.54 -1.280290648e+00 -1.280290648e+00 3.56 -1.231878792e+00 -1.231878792e+00 3.58 -1.183495646e+00 -1.183495646e+00 3.60 -1.135130306e+00 -1.135130306e+00 3.62 -1.086792324e+00 -1.086792324e+00 3.64 -1.038495074e+00 -1.038495074e+00 3.66 -9.902176884e-01 -9.902176884e-01 3.68 -9.419054650e-01 -9.419054650e-01 3.70 -8.934826761e-01 -8.934826761e-01 3.72 -8.449019262e-01 -8.449019262e-01 3.74 -7.962152964e-01 -7.962152964e-01 3.76 -7.476754574e-01 -7.476754574e-01 3.78 -6.998537904e-01 -6.998537904e-01 3.80 -6.537095426e-01 -6.537095426e-01 3.82 -6.104231711e-01 -6.104231711e-01 3.84 -5.712804939e-01 -5.712804939e-01 3.86 -5.373900094e-01 -5.373900094e-01 3.88 -5.092747297e-01 -5.092747297e-01 3.90 -4.866019841e-01 -4.866019841e-01 3.92 -4.695019631e-01 -4.695019631e-01 3.94 -4.568459626e-01 -4.568459626e-01 3.96 -4.473533733e-01 -4.473533733e-01 3.98 -4.401025714e-01 -4.401025714e-01 4.00 -4.341978573e-01 -4.341978573e-01 4.02 -4.291034066e-01 -4.291034066e-01 4.04 -4.245301185e-01 -4.245301185e-01 4.06 -4.202528463e-01 -4.202528463e-01 4.08 -4.160771000e-01 -4.160771000e-01 4.10 -4.118302458e-01 -4.118302458e-01 4.12 -4.073586226e-01 -4.073586226e-01 4.14 -4.025229440e-01 -4.025229440e-01 4.16 -3.972071845e-01 -3.972071845e-01 4.18 -3.913970862e-01 -3.913970862e-01 4.20 -3.851198687e-01 -3.851198687e-01 4.22 -3.784022967e-01 -3.784022967e-01 4.24 -3.712375909e-01 -3.712375909e-01 4.26 -3.636922241e-01 -3.636922241e-01 4.28 -3.558544410e-01 -3.558544410e-01 4.30 -3.477933891e-01 -3.477933891e-01 4.32 -3.395639456e-01 -3.395639456e-01 4.34 -3.312116427e-01 -3.312116427e-01 4.36 -3.227712067e-01 -3.227712067e-01 4.38 -3.142673012e-01 -3.142673012e-01 4.40 -3.057064850e-01 -3.057064850e-01 4.42 -2.970889111e-01 -2.970889111e-01 4.44 -2.884119250e-01 -2.884119250e-01 4.46 -2.796628583e-01 -2.796628583e-01 4.48 -2.708186566e-01 -2.708186566e-01 4.50 -2.618459138e-01 -2.618459138e-01 4.52 -2.526710394e-01 -2.526710394e-01 4.54 -2.431542815e-01 -2.431542815e-01 4.56 -2.332727211e-01 -2.332727211e-01 4.58 -2.230297561e-01 -2.230297561e-01 4.60 -2.124747416e-01 -2.124747416e-01 4.62 -2.017340368e-01 -2.017340368e-01 4.64 -1.910476878e-01 -1.910476878e-01 4.66 -1.807797128e-01 -1.807797128e-01 4.68 -1.713697558e-01 -1.713697558e-01 4.70 -1.632394626e-01 -1.632394626e-01 4.72 -1.566703896e-01 -1.566703896e-01 4.74 -1.515637634e-01 -1.515637634e-01 4.76 -1.476203603e-01 -1.476203603e-01 4.78 -1.444586676e-01 -1.444586676e-01 4.80 -1.417181985e-01 -1.417181985e-01 4.82 -1.391220392e-01 -1.391220392e-01 4.84 -1.364954597e-01 -1.364954597e-01 4.86 -1.337576896e-01 -1.337576896e-01 4.88 -1.308887557e-01 -1.308887557e-01 4.90 -1.278824341e-01 -1.278824341e-01 4.92 -1.247362352e-01 -1.247362352e-01 4.94 -1.214503371e-01 -1.214503371e-01 4.96 -1.180266211e-01 -1.180266211e-01 4.98 -1.144678075e-01 -1.144678075e-01 5.00 -1.107737305e-01 -1.107737305e-01 5.02 -1.069261172e-01 -1.069261172e-01 5.04 -1.029497560e-01 -1.029497560e-01 5.06 -9.887263518e-02 -9.887263518e-02 5.08 -9.471467200e-02 -9.471467200e-02 5.10 -9.048820200e-02 -9.048820200e-02 5.12 -8.619829557e-02 -8.619829557e-02 5.14 -8.184293623e-02 -8.184293623e-02 5.16 -7.741312354e-02 -7.741312354e-02 5.18 -7.289301531e-02 -7.289301531e-02 5.20 -6.826031498e-02 -6.826031498e-02 5.22 -6.348725680e-02 -6.348725680e-02 5.24 -5.854275837e-02 -5.854275837e-02 5.26 -5.339658411e-02 -5.339658411e-02 5.28 -4.802660099e-02 -4.802660099e-02 5.30 -4.243014510e-02 -4.243014510e-02 5.32 -3.663961917e-02 -3.663961917e-02 5.34 -3.073999073e-02 -3.073999073e-02 5.36 -2.488163143e-02 -2.488163143e-02 5.38 -1.927770715e-02 -1.927770715e-02 5.40 -1.417599953e-02 -1.417599953e-02 5.42 -9.805724250e-03 -9.805724250e-03 5.44 -6.317656456e-03 -6.317656456e-03 5.46 -3.745971354e-03 -3.745971354e-03 5.48 -2.009934782e-03 -2.009934782e-03 5.50 -9.501195838e-04 -9.501195838e-04 5.52 -3.775463088e-04 -3.775463088e-04 5.54 -1.150946522e-04 -1.150946522e-04 5.56 -2.181708843e-05 -2.181708843e-05 5.58 -1.306134406e-06 -1.306134406e-06 5.60 -7.348180027e-12 -7.412664063e-12 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