# 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 = CoMnNi2 # 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 2.824147423e+04 2.824147423e+04 1.12 2.271096612e+04 2.271096612e+04 1.14 1.833052438e+04 1.833052438e+04 1.16 1.484710916e+04 1.484710916e+04 1.18 1.206635013e+04 1.206635013e+04 1.20 9.838266507e+03 9.838266507e+03 1.22 8.046623823e+03 8.046623823e+03 1.24 6.600959593e+03 6.600959593e+03 1.26 5.430581821e+03 5.430581821e+03 1.28 4.480029719e+03 4.480029719e+03 1.30 3.705624467e+03 3.705624467e+03 1.32 3.072839962e+03 3.072839962e+03 1.34 2.554287421e+03 2.554287421e+03 1.36 2.128163712e+03 2.128163712e+03 1.38 1.777054345e+03 1.777054345e+03 1.40 1.487005196e+03 1.487005196e+03 1.42 1.246799096e+03 1.246799096e+03 1.44 1.047391207e+03 1.047391207e+03 1.46 8.814672451e+02 8.814672451e+02 1.48 7.430955318e+02 7.430955318e+02 1.50 6.274525108e+02 6.274525108e+02 1.52 5.306046727e+02 5.306046727e+02 1.54 4.493359011e+02 4.493359011e+02 1.56 3.810098225e+02 3.810098225e+02 1.58 3.234598266e+02 3.234598266e+02 1.60 2.749014210e+02 2.749014210e+02 1.62 2.338611708e+02 2.338611708e+02 1.64 1.991192062e+02 1.991192062e+02 1.66 1.696636264e+02 1.696636264e+02 1.68 1.446533254e+02 1.446533254e+02 1.70 1.233877259e+02 1.233877259e+02 1.72 1.052822204e+02 1.052822204e+02 1.74 8.984810460e+01 8.984810460e+01 1.76 7.667595083e+01 7.667595083e+01 1.78 6.542191944e+01 6.542191944e+01 1.80 5.579685428e+01 5.579685428e+01 1.82 4.755725603e+01 4.755725603e+01 1.84 4.049762621e+01 4.049762621e+01 1.86 3.444431077e+01 3.444431077e+01 1.88 2.925041180e+01 2.925041180e+01 1.90 2.479151466e+01 2.479151466e+01 1.92 2.096213130e+01 2.096213130e+01 1.94 1.767255686e+01 1.767255686e+01 1.96 1.484624751e+01 1.484624751e+01 1.98 1.241771591e+01 1.241771591e+01 2.00 1.033102249e+01 1.033102249e+01 2.02 8.538368409e+00 8.538368409e+00 2.04 6.998874699e+00 6.998874699e+00 2.06 5.677450345e+00 5.677450345e+00 2.08 4.543997463e+00 4.543997463e+00 2.10 3.572678724e+00 3.572678724e+00 2.12 2.741276952e+00 2.741276952e+00 2.14 2.030676948e+00 2.030676948e+00 2.16 1.424427539e+00 1.424427539e+00 2.18 9.083708385e-01 9.083708385e-01 2.20 4.703281453e-01 4.703281453e-01 2.22 9.979494229e-02 9.979494229e-02 2.24 -2.124177334e-01 -2.124177334e-01 2.26 -4.742842460e-01 -4.742842460e-01 2.28 -6.926977776e-01 -6.926977776e-01 2.30 -8.736189746e-01 -8.736189746e-01 2.32 -1.022197016e+00 -1.022197016e+00 2.34 -1.142873366e+00 -1.142873366e+00 2.36 -1.239522874e+00 -1.239522874e+00 2.38 -1.315574977e+00 -1.315574977e+00 2.40 -1.374014880e+00 -1.374014880e+00 2.42 -1.417433183e+00 -1.417433183e+00 2.44 -1.448074139e+00 -1.448074139e+00 2.46 -1.467876927e+00 -1.467876927e+00 2.48 -1.478510959e+00 -1.478510959e+00 2.50 -1.481406031e+00 -1.481406031e+00 2.52 -1.477778060e+00 -1.477778060e+00 2.54 -1.468651005e+00 -1.468651005e+00 2.56 -1.454875630e+00 -1.454875630e+00 2.58 -1.437176022e+00 -1.437176022e+00 2.60 -1.416208081e+00 -1.416208081e+00 2.62 -1.392519228e+00 -1.392519228e+00 2.64 -1.366568589e+00 -1.366568589e+00 2.66 -1.338796918e+00 -1.338796918e+00 2.68 -1.309604259e+00 -1.309604259e+00 2.70 -1.279334996e+00 -1.279334996e+00 2.72 -1.248270746e+00 -1.248270746e+00 2.74 -1.216640224e+00 -1.216640224e+00 2.76 -1.184639166e+00 -1.184639166e+00 2.78 -1.152435012e+00 -1.152435012e+00 2.80 -1.120170409e+00 -1.120170409e+00 2.82 -1.087966204e+00 -1.087966204e+00 2.84 -1.055923976e+00 -1.055923976e+00 2.86 -1.024128179e+00 -1.024128179e+00 2.88 -9.926523371e-01 -9.926523371e-01 2.90 -9.615702907e-01 -9.615702907e-01 2.92 -9.309487924e-01 -9.309487924e-01 2.94 -9.008465478e-01 -9.008465478e-01 2.96 -8.713152048e-01 -8.713152048e-01 2.98 -8.424001664e-01 -8.424001664e-01 3.00 -8.141412464e-01 -8.141412464e-01 3.02 -7.865731893e-01 -7.865731893e-01 3.04 -7.597260706e-01 -7.597260706e-01 3.06 -7.336255910e-01 -7.336255910e-01 3.08 -7.082932799e-01 -7.082932799e-01 3.10 -6.837466167e-01 -6.837466167e-01 3.12 -6.599990814e-01 -6.599990814e-01 3.14 -6.370601428e-01 -6.370601428e-01 3.16 -6.149351420e-01 -6.149351420e-01 3.18 -5.936218944e-01 -5.936218944e-01 3.20 -5.731091025e-01 -5.731091025e-01 3.22 -5.533816997e-01 -5.533816997e-01 3.24 -5.344211009e-01 -5.344211009e-01 3.26 -5.162048843e-01 -5.162048843e-01 3.28 -4.987064468e-01 -4.987064468e-01 3.30 -4.818946374e-01 -4.818946374e-01 3.32 -4.657361869e-01 -4.657361869e-01 3.34 -4.502045755e-01 -4.502045755e-01 3.36 -4.352726565e-01 -4.352726565e-01 3.38 -4.209097354e-01 -4.209097354e-01 3.40 -4.070812556e-01 -4.070812556e-01 3.42 -3.937484733e-01 -3.937484733e-01 3.44 -3.808681235e-01 -3.808681235e-01 3.46 -3.683942127e-01 -3.683942127e-01 3.48 -3.563018557e-01 -3.563018557e-01 3.50 -3.445820427e-01 -3.445820427e-01 3.52 -3.332266405e-01 -3.332266405e-01 3.54 -3.222280721e-01 -3.222280721e-01 3.56 -3.115792641e-01 -3.115792641e-01 3.58 -3.012735884e-01 -3.012735884e-01 3.60 -2.913048028e-01 -2.913048028e-01 3.62 -2.816669876e-01 -2.816669876e-01 3.64 -2.723544801e-01 -2.723544801e-01 3.66 -2.633618076e-01 -2.633618076e-01 3.68 -2.546836180e-01 -2.546836180e-01 3.70 -2.463146088e-01 -2.463146088e-01 3.72 -2.382494560e-01 -2.382494560e-01 3.74 -2.304827400e-01 -2.304827400e-01 3.76 -2.230088726e-01 -2.230088726e-01 3.78 -2.158220217e-01 -2.158220217e-01 3.80 -2.089160361e-01 -2.089160361e-01 3.82 -2.022843694e-01 -2.022843694e-01 3.84 -1.959200040e-01 -1.959200040e-01 3.86 -1.898153742e-01 -1.898153742e-01 3.88 -1.839622890e-01 -1.839622890e-01 3.90 -1.783518556e-01 -1.783518556e-01 3.92 -1.729744014e-01 -1.729744014e-01 3.94 -1.678193969e-01 -1.678193969e-01 3.96 -1.628753784e-01 -1.628753784e-01 3.98 -1.581298702e-01 -1.581298702e-01 4.00 -1.535693073e-01 -1.535693073e-01 4.02 -1.491789581e-01 -1.491789581e-01 4.04 -1.449428467e-01 -1.449428467e-01 4.06 -1.408454278e-01 -1.408454278e-01 4.08 -1.368792292e-01 -1.368792292e-01 4.10 -1.330396631e-01 -1.330396631e-01 4.12 -1.293223098e-01 -1.293223098e-01 4.14 -1.257229106e-01 -1.257229106e-01 4.16 -1.222373622e-01 -1.222373622e-01 4.18 -1.188617114e-01 -1.188617114e-01 4.20 -1.155921492e-01 -1.155921492e-01 4.22 -1.124250063e-01 -1.124250063e-01 4.24 -1.093567477e-01 -1.093567477e-01 4.26 -1.063839676e-01 -1.063839676e-01 4.28 -1.035033852e-01 -1.035033852e-01 4.30 -1.007118396e-01 -1.007118396e-01 4.32 -9.800628574e-02 -9.800628574e-02 4.34 -9.538378987e-02 -9.538378987e-02 4.36 -9.284152546e-02 -9.284152546e-02 4.38 -9.037676921e-02 -9.037676921e-02 4.40 -8.798689720e-02 -8.798689720e-02 4.42 -8.566938111e-02 -8.566938111e-02 4.44 -8.342178467e-02 -8.342178467e-02 4.46 -8.124176013e-02 -8.124176013e-02 4.48 -7.912676398e-02 -7.912676398e-02 4.50 -7.707326255e-02 -7.707326255e-02 4.52 -7.507767250e-02 -7.507767250e-02 4.54 -7.313665059e-02 -7.313665059e-02 4.56 -7.124708540e-02 -7.124708540e-02 4.58 -6.940608901e-02 -6.940608901e-02 4.60 -6.761098884e-02 -6.761098884e-02 4.62 -6.585931944e-02 -6.585931944e-02 4.64 -6.414881452e-02 -6.414881452e-02 4.66 -6.247739885e-02 -6.247739885e-02 4.68 -6.084318036e-02 -6.084318036e-02 4.70 -5.924444227e-02 -5.924444227e-02 4.72 -5.767963523e-02 -5.767963523e-02 4.74 -5.614736956e-02 -5.614736956e-02 4.76 -5.464640757e-02 -5.464640757e-02 4.78 -5.317565584e-02 -5.317565584e-02 4.80 -5.173415767e-02 -5.173415767e-02 4.82 -5.032108547e-02 -5.032108547e-02 4.84 -4.893573328e-02 -4.893573328e-02 4.86 -4.757750929e-02 -4.757750929e-02 4.88 -4.624592840e-02 -4.624592840e-02 4.90 -4.494060487e-02 -4.494060487e-02 4.92 -4.366124496e-02 -4.366124496e-02 4.94 -4.240763963e-02 -4.240763963e-02 4.96 -4.117965728e-02 -4.117965728e-02 4.98 -3.997723653e-02 -3.997723653e-02 5.00 -3.880037902e-02 -3.880037902e-02 5.02 -3.764914225e-02 -3.764914225e-02 5.04 -3.652363247e-02 -3.652363247e-02 5.06 -3.542399757e-02 -3.542399757e-02 5.08 -3.435042003e-02 -3.435042003e-02 5.10 -3.330310989e-02 -3.330310989e-02 5.12 -3.228229770e-02 -3.228229770e-02 5.14 -3.128822761e-02 -3.128822761e-02 5.16 -3.032111934e-02 -3.032111934e-02 5.18 -2.938049730e-02 -2.938049730e-02 5.20 -2.846526057e-02 -2.846526057e-02 5.22 -2.757438848e-02 -2.757438848e-02 5.24 -2.670696195e-02 -2.670696195e-02 5.26 -2.586215305e-02 -2.586215305e-02 5.28 -2.503921463e-02 -2.503921463e-02 5.30 -2.423746991e-02 -2.423746991e-02 5.32 -2.345630208e-02 -2.345630208e-02 5.34 -2.269514391e-02 -2.269514391e-02 5.36 -2.195346737e-02 -2.195346737e-02 5.38 -2.123077319e-02 -2.123077319e-02 5.40 -2.052658050e-02 -2.052658050e-02 5.42 -1.984041643e-02 -1.984041643e-02 5.44 -1.917180568e-02 -1.917180568e-02 5.46 -1.852026017e-02 -1.852026017e-02 5.48 -1.788526861e-02 -1.788526861e-02 5.50 -1.726628611e-02 -1.726628611e-02 5.52 -1.666272378e-02 -1.666272378e-02 5.54 -1.607393835e-02 -1.607393835e-02 5.56 -1.549922176e-02 -1.549922176e-02 5.58 -1.493779075e-02 -1.493779075e-02 5.60 -1.438877650e-02 -1.438877650e-02 5.62 -1.385121417e-02 -1.385121417e-02 5.64 -1.332403260e-02 -1.332403260e-02 5.66 -1.280604380e-02 -1.280604380e-02 5.68 -1.229593264e-02 -1.229593264e-02 5.70 -1.179224641e-02 -1.179224641e-02 5.72 -1.129338817e-02 -1.129338817e-02 5.74 -1.079830309e-02 -1.079830309e-02 5.76 -1.030737075e-02 -1.030737075e-02 5.78 -9.821186787e-03 -9.821186787e-03 5.80 -9.340369804e-03 -9.340369804e-03 5.82 -8.865557307e-03 -8.865557307e-03 5.84 -8.397401596e-03 -8.397401596e-03 5.86 -7.936565670e-03 -7.936565670e-03 5.88 -7.483719134e-03 -7.483719134e-03 5.90 -7.039534105e-03 -7.039534105e-03 5.92 -6.604681118e-03 -6.604681118e-03 5.94 -6.179825028e-03 -6.179825028e-03 5.96 -5.765620920e-03 -5.765620920e-03 5.98 -5.362710009e-03 -5.362710009e-03 6.00 -4.971715551e-03 -4.971715551e-03