# 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 = Co2CrMn # 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 3.772602787e+02 3.772602787e+02 0.94 3.522749083e+02 3.522749083e+02 0.96 3.288354095e+02 3.288354095e+02 0.98 3.068500100e+02 3.068500100e+02 1.00 2.862322175e+02 2.862322175e+02 1.02 2.669005241e+02 2.669005241e+02 1.04 2.487781268e+02 2.487781268e+02 1.06 2.317926639e+02 2.317926639e+02 1.08 2.158759619e+02 2.158759619e+02 1.10 2.009638005e+02 2.009638005e+02 1.12 1.869956935e+02 1.869956935e+02 1.14 1.739146779e+02 1.739146779e+02 1.16 1.616671140e+02 1.616671140e+02 1.18 1.502024968e+02 1.502024968e+02 1.20 1.394732777e+02 1.394732777e+02 1.22 1.294346964e+02 1.294346964e+02 1.24 1.200446241e+02 1.200446241e+02 1.26 1.112634144e+02 1.112634144e+02 1.28 1.030537567e+02 1.030537567e+02 1.30 9.538054207e+01 9.538054207e+01 1.32 8.821073741e+01 8.821073741e+01 1.34 8.151326643e+01 8.151326643e+01 1.36 7.525889734e+01 7.525889734e+01 1.38 6.942013677e+01 6.942013677e+01 1.40 6.397112965e+01 6.397112965e+01 1.42 5.888756384e+01 5.888756384e+01 1.44 5.414657714e+01 5.414657714e+01 1.46 4.972667735e+01 4.972667735e+01 1.48 4.560766492e+01 4.560766492e+01 1.50 4.177055753e+01 4.177055753e+01 1.52 3.819751893e+01 3.819751893e+01 1.54 3.487179197e+01 3.487179197e+01 1.56 3.177763527e+01 3.177763527e+01 1.58 2.890026368e+01 2.890026368e+01 1.60 2.622579201e+01 2.622579201e+01 1.62 2.374118210e+01 2.374118210e+01 1.64 2.143419407e+01 2.143419407e+01 1.66 1.929334292e+01 1.929334292e+01 1.68 1.730784885e+01 1.730784885e+01 1.70 1.546759411e+01 1.546759411e+01 1.72 1.376308384e+01 1.376308384e+01 1.74 1.218540923e+01 1.218540923e+01 1.76 1.072621276e+01 1.072621276e+01 1.78 9.377655410e+00 9.377655410e+00 1.80 8.132385776e+00 8.132385776e+00 1.82 6.983510980e+00 6.983510980e+00 1.84 5.924569229e+00 5.924569229e+00 1.86 4.949503976e+00 4.949503976e+00 1.88 4.052639446e+00 4.052639446e+00 1.90 3.228654145e+00 3.228654145e+00 1.92 2.472559703e+00 2.472559703e+00 1.94 1.779685273e+00 1.779685273e+00 1.96 1.145658395e+00 1.145658395e+00 1.98 5.663867366e-01 5.663867366e-01 2.00 3.804091257e-02 3.804091257e-02 2.02 -4.429616687e-01 -4.429616687e-01 2.04 -8.799720031e-01 -8.799720031e-01 2.06 -1.276123777e+00 -1.276123777e+00 2.08 -1.634346801e+00 -1.634346801e+00 2.10 -1.957379643e+00 -1.957379643e+00 2.12 -2.247781498e+00 -2.247781498e+00 2.14 -2.507943353e+00 -2.507943353e+00 2.16 -2.740098462e+00 -2.740098462e+00 2.18 -2.946338201e+00 -2.946338201e+00 2.20 -3.128627868e+00 -3.128627868e+00 2.22 -3.288781307e+00 -3.288781307e+00 2.24 -3.428487778e+00 -3.428487778e+00 2.26 -3.549323341e+00 -3.549323341e+00 2.28 -3.652757981e+00 -3.652757981e+00 2.30 -3.740162291e+00 -3.740162291e+00 2.32 -3.812813762e+00 -3.812813762e+00 2.34 -3.871902682e+00 -3.871902682e+00 2.36 -3.918537679e+00 -3.918537679e+00 2.38 -3.953750929e+00 -3.953750929e+00 2.40 -3.978503039e+00 -3.978503039e+00 2.42 -3.993687639e+00 -3.993687639e+00 2.44 -4.000135686e+00 -4.000135686e+00 2.46 -3.998612650e+00 -3.998612650e+00 2.48 -3.989804112e+00 -3.989804112e+00 2.50 -3.974343676e+00 -3.974343676e+00 2.52 -3.952823070e+00 -3.952823070e+00 2.54 -3.925794601e+00 -3.925794601e+00 2.56 -3.893773484e+00 -3.893773484e+00 2.58 -3.857240038e+00 -3.857240038e+00 2.60 -3.816641758e+00 -3.816641758e+00 2.62 -3.772395273e+00 -3.772395273e+00 2.64 -3.724888199e+00 -3.724888199e+00 2.66 -3.674480878e+00 -3.674480878e+00 2.68 -3.621508030e+00 -3.621508030e+00 2.70 -3.566280306e+00 -3.566280306e+00 2.72 -3.509085751e+00 -3.509085751e+00 2.74 -3.450191196e+00 -3.450191196e+00 2.76 -3.389843547e+00 -3.389843547e+00 2.78 -3.328271025e+00 -3.328271025e+00 2.80 -3.265684333e+00 -3.265684333e+00 2.82 -3.202277736e+00 -3.202277736e+00 2.84 -3.138230097e+00 -3.138230097e+00 2.86 -3.073705846e+00 -3.073705846e+00 2.88 -3.008855894e+00 -3.008855894e+00 2.90 -2.943818496e+00 -2.943818496e+00 2.92 -2.878720058e+00 -2.878720058e+00 2.94 -2.813675905e+00 -2.813675905e+00 2.96 -2.748790995e+00 -2.748790995e+00 2.98 -2.684160597e+00 -2.684160597e+00 3.00 -2.619870926e+00 -2.619870926e+00 3.02 -2.555999742e+00 -2.555999742e+00 3.04 -2.492616910e+00 -2.492616910e+00 3.06 -2.429784932e+00 -2.429784932e+00 3.08 -2.367559441e+00 -2.367559441e+00 3.10 -2.305989672e+00 -2.305989672e+00 3.12 -2.245118897e+00 -2.245118897e+00 3.14 -2.184984841e+00 -2.184984841e+00 3.16 -2.125620071e+00 -2.125620071e+00 3.18 -2.067052359e+00 -2.067052359e+00 3.20 -2.009305029e+00 -2.009305029e+00 3.22 -1.952397281e+00 -1.952397281e+00 3.24 -1.896344493e+00 -1.896344493e+00 3.26 -1.841158517e+00 -1.841158517e+00 3.28 -1.786847946e+00 -1.786847946e+00 3.30 -1.733418381e+00 -1.733418381e+00 3.32 -1.680872674e+00 -1.680872674e+00 3.34 -1.629211166e+00 -1.629211166e+00 3.36 -1.578431918e+00 -1.578431918e+00 3.38 -1.528530933e+00 -1.528530933e+00 3.40 -1.479502366e+00 -1.479502366e+00 3.42 -1.431338745e+00 -1.431338745e+00 3.44 -1.384031177e+00 -1.384031177e+00 3.46 -1.337569560e+00 -1.337569560e+00 3.48 -1.291942800e+00 -1.291942800e+00 3.50 -1.247139032e+00 -1.247139032e+00 3.52 -1.203145843e+00 -1.203145843e+00 3.54 -1.159950516e+00 -1.159950516e+00 3.56 -1.117540274e+00 -1.117540274e+00 3.58 -1.075902550e+00 -1.075902550e+00 3.60 -1.035025261e+00 -1.035025261e+00 3.62 -9.948971149e-01 -9.948971149e-01 3.64 -9.555079185e-01 -9.555079185e-01 3.66 -9.168489175e-01 -9.168489175e-01 3.68 -8.789131459e-01 -8.789131459e-01 3.70 -8.416957896e-01 -8.416957896e-01 3.72 -8.051945583e-01 -8.051945583e-01 3.74 -7.694100557e-01 -7.694100557e-01 3.76 -7.343461385e-01 -7.343461385e-01 3.78 -7.000102481e-01 -7.000102481e-01 3.80 -6.664136977e-01 -6.664136977e-01 3.82 -6.335229445e-01 -6.335229445e-01 3.84 -5.970065512e-01 -5.970065512e-01 3.86 -5.358481082e-01 -5.358481082e-01 3.88 -4.308219058e-01 -4.308219058e-01 3.90 -3.730961111e-01 -3.730961111e-01 3.92 -3.567094756e-01 -3.567094756e-01 3.94 -3.414376665e-01 -3.414376665e-01 3.96 -3.271751599e-01 -3.271751599e-01 3.98 -3.138180657e-01 -3.138180657e-01 4.00 -3.012673322e-01 -3.012673322e-01 4.02 -2.894312536e-01 -2.894312536e-01 4.04 -2.782272055e-01 -2.782272055e-01 4.06 -2.675826098e-01 -2.675826098e-01 4.08 -2.574351946e-01 -2.574351946e-01 4.10 -2.477326606e-01 -2.477326606e-01 4.12 -2.384318955e-01 -2.384318955e-01 4.14 -2.294978877e-01 -2.294978877e-01 4.16 -2.209024841e-01 -2.209024841e-01 4.18 -2.126231208e-01 -2.126231208e-01 4.20 -2.046416234e-01 -2.046416234e-01 4.22 -1.969431466e-01 -1.969431466e-01 4.24 -1.895152883e-01 -1.895152883e-01 4.26 -1.823473889e-01 -1.823473889e-01 4.28 -1.754300043e-01 -1.754300043e-01 4.30 -1.687545291e-01 -1.687545291e-01 4.32 -1.623129408e-01 -1.623129408e-01 4.34 -1.560976335e-01 -1.560976335e-01 4.36 -1.501013162e-01 -1.501013162e-01 4.38 -1.443169516e-01 -1.443169516e-01 4.40 -1.387377222e-01 -1.387377222e-01 4.42 -1.331056263e-01 -1.331056263e-01 4.44 -1.243154474e-01 -1.243154474e-01 4.46 -1.042120665e-01 -1.042120665e-01 4.48 -5.976869167e-02 -5.976869167e-02 4.50 -1.323707292e-22 -1.324011366e-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 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 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