# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = Co2MgMo # 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 2024-04-11 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 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 2.503406944e+02 2.503406944e+02 1.30 2.307841086e+02 2.307841086e+02 1.32 2.127621393e+02 2.127621393e+02 1.34 1.961452783e+02 1.961452783e+02 1.36 1.808137598e+02 1.808137598e+02 1.38 1.666580151e+02 1.666580151e+02 1.40 1.535790226e+02 1.535790226e+02 1.42 1.414879692e+02 1.414879692e+02 1.44 1.303050258e+02 1.303050258e+02 1.46 1.199579627e+02 1.199579627e+02 1.48 1.103813831e+02 1.103813831e+02 1.50 1.015163818e+02 1.015163818e+02 1.52 9.330995302e+01 9.330995302e+01 1.54 8.571407349e+01 8.571407349e+01 1.56 7.868487099e+01 7.868487099e+01 1.58 7.218201867e+01 7.218201867e+01 1.60 6.616819767e+01 6.616819767e+01 1.62 6.060854618e+01 6.060854618e+01 1.64 5.547020247e+01 5.547020247e+01 1.66 5.072392473e+01 5.072392473e+01 1.68 4.634134751e+01 4.634134751e+01 1.70 4.229587538e+01 4.229587538e+01 1.72 3.856170360e+01 3.856170360e+01 1.74 3.511452275e+01 3.511452275e+01 1.76 3.193167169e+01 3.193167169e+01 1.78 2.899211259e+01 2.899211259e+01 1.80 2.627652856e+01 2.627652856e+01 1.82 2.376742437e+01 2.376742437e+01 1.84 2.144911920e+01 2.144911920e+01 1.86 1.930761737e+01 1.930761737e+01 1.88 1.733037786e+01 1.733037786e+01 1.90 1.550602693e+01 1.550602693e+01 1.92 1.382406652e+01 1.382406652e+01 1.94 1.227464392e+01 1.227464392e+01 1.96 1.084842294e+01 1.084842294e+01 1.98 9.536552897e+00 9.536552897e+00 2.00 8.330690977e+00 8.330690977e+00 2.02 7.223023557e+00 7.223023557e+00 2.04 6.206247695e+00 6.206247695e+00 2.06 5.273507418e+00 5.273507418e+00 2.08 4.418315998e+00 4.418315998e+00 2.10 3.634505890e+00 3.634505890e+00 2.12 2.916226586e+00 2.916226586e+00 2.14 2.257984332e+00 2.257984332e+00 2.16 1.654701806e+00 1.654701806e+00 2.18 1.101769640e+00 1.101769640e+00 2.20 5.950702510e-01 5.950702510e-01 2.22 1.309626499e-01 1.309626499e-01 2.24 -2.937647943e-01 -2.937647943e-01 2.26 -6.819599179e-01 -6.819599179e-01 2.28 -1.036176226e+00 -1.036176226e+00 2.30 -1.358732786e+00 -1.358732786e+00 2.32 -1.651672393e+00 -1.651672393e+00 2.34 -1.916935205e+00 -1.916935205e+00 2.36 -2.156574380e+00 -2.156574380e+00 2.38 -2.372487271e+00 -2.372487271e+00 2.40 -2.566433820e+00 -2.566433820e+00 2.42 -2.740054967e+00 -2.740054967e+00 2.44 -2.894886374e+00 -2.894886374e+00 2.46 -3.032355071e+00 -3.032355071e+00 2.48 -3.153620143e+00 -3.153620143e+00 2.50 -3.259706920e+00 -3.259706920e+00 2.52 -3.351679956e+00 -3.351679956e+00 2.54 -3.430443240e+00 -3.430443240e+00 2.56 -3.496890719e+00 -3.496890719e+00 2.58 -3.551922453e+00 -3.551922453e+00 2.60 -3.596431754e+00 -3.596431754e+00 2.62 -3.631282401e+00 -3.631282401e+00 2.64 -3.657281562e+00 -3.657281562e+00 2.66 -3.675155025e+00 -3.675155025e+00 2.68 -3.685481902e+00 -3.685481902e+00 2.70 -3.688686278e+00 -3.688686278e+00 2.72 -3.685149042e+00 -3.685149042e+00 2.74 -3.675229982e+00 -3.675229982e+00 2.76 -3.659279182e+00 -3.659279182e+00 2.78 -3.637643533e+00 -3.637643533e+00 2.80 -3.610669487e+00 -3.610669487e+00 2.82 -3.578701793e+00 -3.578701793e+00 2.84 -3.542082554e+00 -3.542082554e+00 2.86 -3.501149689e+00 -3.501149689e+00 2.88 -3.456236305e+00 -3.456236305e+00 2.90 -3.407670976e+00 -3.407670976e+00 2.92 -3.355778790e+00 -3.355778790e+00 2.94 -3.300882840e+00 -3.300882840e+00 2.96 -3.243305617e+00 -3.243305617e+00 2.98 -3.183369580e+00 -3.183369580e+00 3.00 -3.121395949e+00 -3.121395949e+00 3.02 -3.057700814e+00 -3.057700814e+00 3.04 -2.992587809e+00 -2.992587809e+00 3.06 -2.926369675e+00 -2.926369675e+00 3.08 -2.859275586e+00 -2.859275586e+00 3.10 -2.791451343e+00 -2.791451343e+00 3.12 -2.723023825e+00 -2.723023825e+00 3.14 -2.654095578e+00 -2.654095578e+00 3.16 -2.584729153e+00 -2.584729153e+00 3.18 -2.514895033e+00 -2.514895033e+00 3.20 -2.444561293e+00 -2.444561293e+00 3.22 -2.373728667e+00 -2.373728667e+00 3.24 -2.302426298e+00 -2.302426298e+00 3.26 -2.230710330e+00 -2.230710330e+00 3.28 -2.158664274e+00 -2.158664274e+00 3.30 -2.086400159e+00 -2.086400159e+00 3.32 -2.014059560e+00 -2.014059560e+00 3.34 -1.941813810e+00 -1.941813810e+00 3.36 -1.869862836e+00 -1.869862836e+00 3.38 -1.798432288e+00 -1.798432288e+00 3.40 -1.727768695e+00 -1.727768695e+00 3.42 -1.658132956e+00 -1.658132956e+00 3.44 -1.589791550e+00 -1.589791550e+00 3.46 -1.523007036e+00 -1.523007036e+00 3.48 -1.458027694e+00 -1.458027694e+00 3.50 -1.395077561e+00 -1.395077561e+00 3.52 -1.334347748e+00 -1.334347748e+00 3.54 -1.275989821e+00 -1.275989821e+00 3.56 -1.220111807e+00 -1.220111807e+00 3.58 -1.166777001e+00 -1.166777001e+00 3.60 -1.116005444e+00 -1.116005444e+00 3.62 -1.067777630e+00 -1.067777630e+00 3.64 -1.022039852e+00 -1.022039852e+00 3.66 -9.787105328e-01 -9.787105328e-01 3.68 -9.376868871e-01 -9.376868871e-01 3.70 -8.988514253e-01 -8.988514253e-01 3.72 -8.620778837e-01 -8.620778837e-01 3.74 -8.272363480e-01 -8.272363480e-01 3.76 -7.941974403e-01 -7.941974403e-01 3.78 -7.628355480e-01 -7.628355480e-01 3.80 -7.330311340e-01 -7.330311340e-01 3.82 -7.046722167e-01 -7.046722167e-01 3.84 -6.776551289e-01 -6.776551289e-01 3.86 -6.518846794e-01 -6.518846794e-01 3.88 -6.272738545e-01 -6.272738545e-01 3.90 -6.037431969e-01 -6.037431969e-01 3.92 -5.812198771e-01 -5.812198771e-01 3.94 -5.596373855e-01 -5.596373855e-01 3.96 -5.389338785e-01 -5.389338785e-01 3.98 -5.190521208e-01 -5.190521208e-01 4.00 -4.999388166e-01 -4.999388166e-01 4.02 -4.815442660e-01 -4.815442660e-01 4.04 -4.638221689e-01 -4.638221689e-01 4.06 -4.467295517e-01 -4.467295517e-01 4.08 -4.302267973e-01 -4.302267973e-01 4.10 -4.142774951e-01 -4.142774951e-01 4.12 -3.988497685e-01 -3.988497685e-01 4.14 -3.839147407e-01 -3.839147407e-01 4.16 -3.694480922e-01 -3.694480922e-01 4.18 -3.554300011e-01 -3.554300011e-01 4.20 -3.418453424e-01 -3.418453424e-01 4.22 -3.286837236e-01 -3.286837236e-01 4.24 -3.159392695e-01 -3.159392695e-01 4.26 -3.036100830e-01 -3.036100830e-01 4.28 -2.916973534e-01 -2.916973534e-01 4.30 -2.802041434e-01 -2.802041434e-01 4.32 -2.691339606e-01 -2.691339606e-01 4.34 -2.584892775e-01 -2.584892775e-01 4.36 -2.482701913e-01 -2.482701913e-01 4.38 -2.384733991e-01 -2.384733991e-01 4.40 -2.290916050e-01 -2.290916050e-01 4.42 -2.201133912e-01 -2.201133912e-01 4.44 -2.115235065e-01 -2.115235065e-01 4.46 -2.033034631e-01 -2.033034631e-01 4.48 -1.954323077e-01 -1.954323077e-01 4.50 -1.878874379e-01 -1.878874379e-01 4.52 -1.806453640e-01 -1.806453640e-01 4.54 -1.736823527e-01 -1.736823527e-01 4.56 -1.669749268e-01 -1.669749268e-01 4.58 -1.605002247e-01 -1.605002247e-01 4.60 -1.542362398e-01 -1.542362398e-01 4.62 -1.481619743e-01 -1.481619743e-01 4.64 -1.422575399e-01 -1.422575399e-01 4.66 -1.365042418e-01 -1.365042418e-01 4.68 -1.308846725e-01 -1.308846725e-01 4.70 -1.253828422e-01 -1.253828422e-01 4.72 -1.199843603e-01 -1.199843603e-01 4.74 -1.146766794e-01 -1.146766794e-01 4.76 -1.094494015e-01 -1.094494015e-01 4.78 -1.042946366e-01 -1.042946366e-01 4.80 -9.920719123e-02 -9.920719123e-02 4.82 -9.418578052e-02 -9.418578052e-02 4.84 -8.923204666e-02 -8.923204666e-02 4.86 -8.435168022e-02 -8.435168022e-02 4.88 -7.955420307e-02 -7.955420307e-02 4.90 -7.485275230e-02 -7.485275230e-02 4.92 -7.026358317e-02 -7.026358317e-02 4.94 -6.580528160e-02 -6.580528160e-02 4.96 -6.149772523e-02 -6.149772523e-02 4.98 -5.736085261e-02 -5.736085261e-02 5.00 -5.341336808e-02 -5.341336808e-02 5.02 -4.967152438e-02 -4.967152438e-02 5.04 -4.614809717e-02 -4.614809717e-02 5.06 -4.285165624e-02 -4.285165624e-02 5.08 -3.978570563e-02 -3.978570563e-02 5.10 -3.694935779e-02 -3.694935779e-02 5.12 -3.433844155e-02 -3.433844155e-02 5.14 -3.194489632e-02 -3.194489632e-02 5.16 -2.975756599e-02 -2.975756599e-02 5.18 -2.776295359e-02 -2.776295359e-02 5.20 -2.594626492e-02 -2.594626492e-02 5.22 -2.429214939e-02 -2.429214939e-02 5.24 -2.278520325e-02 -2.278520325e-02 5.26 -2.141047040e-02 -2.141047040e-02 5.28 -2.015380802e-02 -2.015380802e-02 5.30 -1.900213108e-02 -1.900213108e-02 5.32 -1.794355493e-02 -1.794355493e-02 5.34 -1.696745607e-02 -1.696745607e-02 5.36 -1.606444979e-02 -1.606444979e-02 5.38 -1.522637832e-02 -1.522637832e-02 5.40 -1.444623126e-02 -1.444623126e-02 5.42 -1.371802923e-02 -1.371802923e-02 5.44 -1.303670887e-02 -1.303670887e-02 5.46 -1.239800092e-02 -1.239800092e-02 5.48 -1.179830690e-02 -1.179830690e-02 5.50 -1.123457914e-02 -1.123457914e-02 5.52 -1.070420852e-02 -1.070420852e-02 5.54 -1.020492343e-02 -1.020492343e-02 5.56 -9.734702911e-03 -9.734702911e-03 5.58 -9.291705660e-03 -9.291705660e-03 5.60 -8.874215467e-03 -8.874215467e-03 5.62 -8.480602491e-03 -8.480602491e-03 5.64 -8.109298615e-03 -8.109298615e-03 5.66 -7.758784436e-03 -7.758784436e-03 5.68 -7.427585059e-03 -7.427585059e-03 5.70 -7.114271822e-03 -7.114271822e-03 5.72 -6.817467398e-03 -6.817467398e-03 5.74 -6.535852175e-03 -6.535852175e-03 5.76 -6.268170386e-03 -6.268170386e-03 5.78 -6.013235035e-03 -6.013235035e-03 5.80 -5.769931119e-03 -5.769931119e-03 5.82 -5.537217040e-03 -5.537217040e-03 5.84 -5.314124360e-03 -5.314124360e-03 5.86 -5.099756225e-03 -5.099756225e-03 5.88 -4.893284824e-03 -4.893284824e-03 5.90 -4.693948312e-03 -4.693948312e-03 5.92 -4.501047571e-03 -4.501047571e-03 5.94 -4.313943147e-03 -4.313943147e-03 5.96 -4.132052636e-03 -4.132052636e-03 5.98 -3.954848735e-03 -3.954848735e-03 6.00 -3.781858099e-03 -3.781858099e-03