# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Choi-W-M-Jo-Y-H-Sohn-S-S-et-al--Co-Ni-Cr-Fe-Mn # implementation = 2018--Choi-W-M--Co-Ni-Cr-Fe-Mn--LAMMPS--ipr1 # composition = Co2CrNi # 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 3.643251348e+02 3.643251348e+02 0.94 3.399292937e+02 3.399292937e+02 0.96 3.170558667e+02 3.170558667e+02 0.98 2.956138058e+02 2.956138058e+02 1.00 2.755173434e+02 2.755173434e+02 1.02 2.566856932e+02 2.566856932e+02 1.04 2.390427671e+02 2.390427671e+02 1.06 2.225169084e+02 2.225169084e+02 1.08 2.070406521e+02 2.070406521e+02 1.10 1.925504856e+02 1.925504856e+02 1.12 1.789866038e+02 1.789866038e+02 1.14 1.662926992e+02 1.662926992e+02 1.16 1.544157636e+02 1.544157636e+02 1.18 1.433059012e+02 1.433059012e+02 1.20 1.329161519e+02 1.329161519e+02 1.22 1.232023239e+02 1.232023239e+02 1.24 1.141228258e+02 1.141228258e+02 1.26 1.056385117e+02 1.056385117e+02 1.28 9.771256342e+01 9.771256342e+01 1.30 9.031035792e+01 9.031035792e+01 1.32 8.339933934e+01 8.339933934e+01 1.34 7.694889891e+01 7.694889891e+01 1.36 7.093026141e+01 7.093026141e+01 1.38 6.531637828e+01 6.531637828e+01 1.40 6.008182684e+01 6.008182684e+01 1.42 5.520271876e+01 5.520271876e+01 1.44 5.065662754e+01 5.065662754e+01 1.46 4.642248448e+01 4.642248448e+01 1.48 4.248048988e+01 4.248048988e+01 1.50 3.881203976e+01 3.881203976e+01 1.52 3.539965659e+01 3.539965659e+01 1.54 3.222692394e+01 3.222692394e+01 1.56 2.927842472e+01 2.927842472e+01 1.58 2.653968281e+01 2.653968281e+01 1.60 2.399710808e+01 2.399710808e+01 1.62 2.163794438e+01 2.163794438e+01 1.64 1.945021476e+01 1.945021476e+01 1.66 1.742265925e+01 1.742265925e+01 1.68 1.554471444e+01 1.554471444e+01 1.70 1.380647852e+01 1.380647852e+01 1.72 1.219867115e+01 1.219867115e+01 1.74 1.071259561e+01 1.071259561e+01 1.76 9.340103302e+00 9.340103302e+00 1.78 8.073560349e+00 8.073560349e+00 1.80 6.905816171e+00 6.905816171e+00 1.82 5.830173955e+00 5.830173955e+00 1.84 4.840362894e+00 4.840362894e+00 1.86 3.930512071e+00 3.930512071e+00 1.88 3.095126485e+00 3.095126485e+00 1.90 2.329079897e+00 2.329079897e+00 1.92 1.627591127e+00 1.627591127e+00 1.94 9.861825479e-01 9.861825479e-01 1.96 4.006608184e-01 4.006608184e-01 1.98 -1.329000984e-01 -1.329000984e-01 2.00 -6.181749562e-01 -6.181749562e-01 2.02 -1.058602336e+00 -1.058602336e+00 2.04 -1.457398898e+00 -1.457398898e+00 2.06 -1.817572812e+00 -1.817572812e+00 2.08 -2.141936427e+00 -2.141936427e+00 2.10 -2.433118203e+00 -2.433118203e+00 2.12 -2.693573961e+00 -2.693573961e+00 2.14 -2.925597473e+00 -2.925597473e+00 2.16 -3.131330444e+00 -3.131330444e+00 2.18 -3.312777611e+00 -3.312777611e+00 2.20 -3.471827580e+00 -3.471827580e+00 2.22 -3.610239521e+00 -3.610239521e+00 2.24 -3.729650212e+00 -3.729650212e+00 2.26 -3.831582283e+00 -3.831582283e+00 2.28 -3.917451701e+00 -3.917451701e+00 2.30 -3.988574780e+00 -3.988574780e+00 2.32 -4.046174750e+00 -4.046174750e+00 2.34 -4.091387916e+00 -4.091387916e+00 2.36 -4.125269421e+00 -4.125269421e+00 2.38 -4.148798649e+00 -4.148798649e+00 2.40 -4.162884282e+00 -4.162884282e+00 2.42 -4.168369034e+00 -4.168369034e+00 2.44 -4.166034085e+00 -4.166034085e+00 2.46 -4.156596369e+00 -4.156596369e+00 2.48 -4.140694268e+00 -4.140694268e+00 2.50 -4.118915597e+00 -4.118915597e+00 2.52 -4.091807760e+00 -4.091807760e+00 2.54 -4.059880257e+00 -4.059880257e+00 2.56 -4.023607049e+00 -4.023607049e+00 2.58 -3.983428777e+00 -3.983428777e+00 2.60 -3.939754849e+00 -3.939754849e+00 2.62 -3.892965413e+00 -3.892965413e+00 2.64 -3.843413202e+00 -3.843413202e+00 2.66 -3.791425274e+00 -3.791425274e+00 2.68 -3.737304649e+00 -3.737304649e+00 2.70 -3.681331847e+00 -3.681331847e+00 2.72 -3.623766330e+00 -3.623766330e+00 2.74 -3.564847869e+00 -3.564847869e+00 2.76 -3.504797807e+00 -3.504797807e+00 2.78 -3.443820267e+00 -3.443820267e+00 2.80 -3.382103287e+00 -3.382103287e+00 2.82 -3.319819865e+00 -3.319819865e+00 2.84 -3.257128960e+00 -3.257128960e+00 2.86 -3.194176423e+00 -3.194176423e+00 2.88 -3.131095875e+00 -3.131095875e+00 2.90 -3.068009528e+00 -3.068009528e+00 2.92 -3.005028956e+00 -3.005028956e+00 2.94 -2.942255821e+00 -2.942255821e+00 2.96 -2.879782551e+00 -2.879782551e+00 2.98 -2.817692978e+00 -2.817692978e+00 3.00 -2.756062934e+00 -2.756062934e+00 3.02 -2.694960809e+00 -2.694960809e+00 3.04 -2.634448080e+00 -2.634448080e+00 3.06 -2.574579798e+00 -2.574579798e+00 3.08 -2.515405051e+00 -2.515405051e+00 3.10 -2.456967396e+00 -2.456967396e+00 3.12 -2.399305259e+00 -2.399305259e+00 3.14 -2.342452315e+00 -2.342452315e+00 3.16 -2.286437842e+00 -2.286437842e+00 3.18 -2.231287051e+00 -2.231287051e+00 3.20 -2.177021393e+00 -2.177021393e+00 3.22 -2.123658854e+00 -2.123658854e+00 3.24 -2.071214217e+00 -2.071214217e+00 3.26 -2.019699322e+00 -2.019699322e+00 3.28 -1.969123296e+00 -1.969123296e+00 3.30 -1.919492776e+00 -1.919492776e+00 3.32 -1.870812115e+00 -1.870812115e+00 3.34 -1.823083568e+00 -1.823083568e+00 3.36 -1.776307480e+00 -1.776307480e+00 3.38 -1.730482442e+00 -1.730482442e+00 3.40 -1.685605455e+00 -1.685605455e+00 3.42 -1.641672068e+00 -1.641672068e+00 3.44 -1.598676516e+00 -1.598676516e+00 3.46 -1.556611844e+00 -1.556611844e+00 3.48 -1.515470021e+00 -1.515470021e+00 3.50 -1.475242053e+00 -1.475242053e+00 3.52 -1.435918078e+00 -1.435918078e+00 3.54 -1.397487462e+00 -1.397487462e+00 3.56 -1.359938884e+00 -1.359938884e+00 3.58 -1.323260418e+00 -1.323260418e+00 3.60 -1.287439604e+00 -1.287439604e+00 3.62 -1.252463518e+00 -1.252463518e+00 3.64 -1.218318837e+00 -1.218318837e+00 3.66 -1.184991895e+00 -1.184991895e+00 3.68 -1.152468736e+00 -1.152468736e+00 3.70 -1.120735169e+00 -1.120735169e+00 3.72 -1.089776808e+00 -1.089776808e+00 3.74 -1.059579118e+00 -1.059579118e+00 3.76 -1.030127451e+00 -1.030127451e+00 3.78 -1.001407082e+00 -1.001407082e+00 3.80 -9.734032460e-01 -9.734032460e-01 3.82 -9.460969030e-01 -9.460969030e-01 3.84 -9.191245777e-01 -9.191245777e-01 3.86 -8.907395650e-01 -8.907395650e-01 3.88 -8.568963908e-01 -8.568963908e-01 3.90 -8.239570488e-01 -8.239570488e-01 3.92 -8.014616480e-01 -8.014616480e-01 3.94 -7.795034432e-01 -7.795034432e-01 3.96 -7.580706535e-01 -7.580706535e-01 3.98 -7.371516015e-01 -7.371516015e-01 4.00 -7.167347239e-01 -7.167347239e-01 4.02 -6.968085800e-01 -6.968085800e-01 4.04 -6.773618595e-01 -6.773618595e-01 4.06 -6.583833899e-01 -6.583833899e-01 4.08 -6.398621424e-01 -6.398621424e-01 4.10 -6.217872377e-01 -6.217872377e-01 4.12 -6.041479501e-01 -6.041479501e-01 4.14 -5.869337127e-01 -5.869337127e-01 4.16 -5.701341201e-01 -5.701341201e-01 4.18 -5.537389317e-01 -5.537389317e-01 4.20 -5.377380745e-01 -5.377380745e-01 4.22 -5.221216450e-01 -5.221216450e-01 4.24 -5.068799109e-01 -5.068799109e-01 4.26 -4.920033125e-01 -4.920033125e-01 4.28 -4.774824640e-01 -4.774824640e-01 4.30 -4.633081539e-01 -4.633081539e-01 4.32 -4.494713457e-01 -4.494713457e-01 4.34 -4.359631782e-01 -4.359631782e-01 4.36 -4.227749657e-01 -4.227749657e-01 4.38 -4.098981978e-01 -4.098981978e-01 4.40 -3.973245392e-01 -3.973245392e-01 4.42 -3.843229613e-01 -3.843229613e-01 4.44 -3.618221269e-01 -3.618221269e-01 4.46 -3.054055343e-01 -3.054055343e-01 4.48 -1.757147167e-01 -1.757147167e-01 4.50 -2.685400022e-22 -2.687079998e-22 4.52 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 4.62 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