# 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 = CoMgNi2 # 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 1.824126492e+02 1.824126492e+02 1.30 1.678215328e+02 1.678215328e+02 1.32 1.543875648e+02 1.543875648e+02 1.34 1.420100672e+02 1.420100672e+02 1.36 1.305997529e+02 1.305997529e+02 1.38 1.200784075e+02 1.200784075e+02 1.40 1.103765611e+02 1.103765611e+02 1.42 1.014310095e+02 1.014310095e+02 1.44 9.318306553e+01 9.318306553e+01 1.46 8.557764998e+01 8.557764998e+01 1.48 7.856313298e+01 7.856313298e+01 1.50 7.209155773e+01 7.209155773e+01 1.52 6.611888272e+01 6.611888272e+01 1.54 6.060507931e+01 6.060507931e+01 1.56 5.551393602e+01 5.551393602e+01 1.58 5.081254152e+01 5.081254152e+01 1.60 4.647122739e+01 4.647122739e+01 1.62 4.246267690e+01 4.246267690e+01 1.64 3.876148763e+01 3.876148763e+01 1.66 3.534456196e+01 3.534456196e+01 1.68 3.219072852e+01 3.219072852e+01 1.70 2.928040271e+01 2.928040271e+01 1.72 2.659525671e+01 2.659525671e+01 1.74 2.411796591e+01 2.411796591e+01 1.76 2.183213612e+01 2.183213612e+01 1.78 1.972245029e+01 1.972245029e+01 1.80 1.777491472e+01 1.777491472e+01 1.82 1.597702264e+01 1.597702264e+01 1.84 1.431771243e+01 1.431771243e+01 1.86 1.278713609e+01 1.278713609e+01 1.88 1.137632830e+01 1.137632830e+01 1.90 1.007689949e+01 1.007689949e+01 1.92 8.880834674e+00 8.880834674e+00 1.94 7.780429721e+00 7.780429721e+00 1.96 6.768341124e+00 6.768341124e+00 1.98 5.837691463e+00 5.837691463e+00 2.00 4.982160091e+00 4.982160091e+00 2.02 4.196015261e+00 4.196015261e+00 2.04 3.474083962e+00 3.474083962e+00 2.06 2.811681757e+00 2.811681757e+00 2.08 2.204533163e+00 2.204533163e+00 2.10 1.648705334e+00 1.648705334e+00 2.12 1.140561552e+00 1.140561552e+00 2.14 6.767291508e-01 6.767291508e-01 2.16 2.540742233e-01 2.540742233e-01 2.18 -1.303253225e-01 -1.303253225e-01 2.20 -4.792092702e-01 -4.792092702e-01 2.22 -7.951668813e-01 -7.951668813e-01 2.24 -1.080663324e+00 -1.080663324e+00 2.26 -1.338057366e+00 -1.338057366e+00 2.28 -1.569612269e+00 -1.569612269e+00 2.30 -1.777501647e+00 -1.777501647e+00 2.32 -1.963814564e+00 -1.963814564e+00 2.34 -2.130546587e+00 -2.130546587e+00 2.36 -2.279590263e+00 -2.279590263e+00 2.38 -2.412701654e+00 -2.412701654e+00 2.40 -2.531336539e+00 -2.531336539e+00 2.42 -2.636745974e+00 -2.636745974e+00 2.44 -2.729997925e+00 -2.729997925e+00 2.46 -2.812009921e+00 -2.812009921e+00 2.48 -2.883589853e+00 -2.883589853e+00 2.50 -2.945469361e+00 -2.945469361e+00 2.52 -2.998148986e+00 -2.998148986e+00 2.54 -3.041844307e+00 -3.041844307e+00 2.56 -3.076819247e+00 -3.076819247e+00 2.58 -3.103406083e+00 -3.103406083e+00 2.60 -3.121991187e+00 -3.121991187e+00 2.62 -3.132999906e+00 -3.132999906e+00 2.64 -3.136883077e+00 -3.136883077e+00 2.66 -3.134106244e+00 -3.134106244e+00 2.68 -3.125147509e+00 -3.125147509e+00 2.70 -3.110500409e+00 -3.110500409e+00 2.72 -3.090678276e+00 -3.090678276e+00 2.74 -3.066213782e+00 -3.066213782e+00 2.76 -3.037649499e+00 -3.037649499e+00 2.78 -3.005519497e+00 -3.005519497e+00 2.80 -2.970327160e+00 -2.970327160e+00 2.82 -2.932524055e+00 -2.932524055e+00 2.84 -2.892498151e+00 -2.892498151e+00 2.86 -2.850571511e+00 -2.850571511e+00 2.88 -2.807006977e+00 -2.807006977e+00 2.90 -2.762020159e+00 -2.762020159e+00 2.92 -2.715793037e+00 -2.715793037e+00 2.94 -2.668486538e+00 -2.668486538e+00 2.96 -2.620250724e+00 -2.620250724e+00 2.98 -2.571232152e+00 -2.571232152e+00 3.00 -2.521578281e+00 -2.521578281e+00 3.02 -2.471438956e+00 -2.471438956e+00 3.04 -2.420965534e+00 -2.420965534e+00 3.06 -2.370325238e+00 -2.370325238e+00 3.08 -2.319649193e+00 -2.319649193e+00 3.10 -2.269046970e+00 -2.269046970e+00 3.12 -2.218617117e+00 -2.218617117e+00 3.14 -2.168446504e+00 -2.168446504e+00 3.16 -2.118609591e+00 -2.118609591e+00 3.18 -2.069171520e+00 -2.069171520e+00 3.20 -2.020190115e+00 -2.020190115e+00 3.22 -1.971704365e+00 -1.971704365e+00 3.24 -1.923729290e+00 -1.923729290e+00 3.26 -1.876283662e+00 -1.876283662e+00 3.28 -1.829391571e+00 -1.829391571e+00 3.30 -1.783080772e+00 -1.783080772e+00 3.32 -1.737380639e+00 -1.737380639e+00 3.34 -1.692319947e+00 -1.692319947e+00 3.36 -1.647924780e+00 -1.647924780e+00 3.38 -1.604216840e+00 -1.604216840e+00 3.40 -1.561212299e+00 -1.561212299e+00 3.42 -1.518921520e+00 -1.518921520e+00 3.44 -1.477348857e+00 -1.477348857e+00 3.46 -1.436493320e+00 -1.436493320e+00 3.48 -1.396349207e+00 -1.396349207e+00 3.50 -1.356906875e+00 -1.356906875e+00 3.52 -1.318153522e+00 -1.318153522e+00 3.54 -1.280073938e+00 -1.280073938e+00 3.56 -1.242651212e+00 -1.242651212e+00 3.58 -1.205867378e+00 -1.205867378e+00 3.60 -1.169704024e+00 -1.169704024e+00 3.62 -1.134142856e+00 -1.134142856e+00 3.64 -1.099166292e+00 -1.099166292e+00 3.66 -1.064758099e+00 -1.064758099e+00 3.68 -1.030904168e+00 -1.030904168e+00 3.70 -9.975934596e-01 -9.975934596e-01 3.72 -9.648191467e-01 -9.648191467e-01 3.74 -9.325799182e-01 -9.325799182e-01 3.76 -9.008813361e-01 -9.008813361e-01 3.78 -8.697370565e-01 -8.697370565e-01 3.80 -8.391696516e-01 -8.391696516e-01 3.82 -8.092107344e-01 -8.092107344e-01 3.84 -7.799001138e-01 -7.799001138e-01 3.86 -7.512838149e-01 -7.512838149e-01 3.88 -7.234109866e-01 -7.234109866e-01 3.90 -6.963299533e-01 -6.963299533e-01 3.92 -6.700837932e-01 -6.700837932e-01 3.94 -6.447066203e-01 -6.447066203e-01 3.96 -6.202196858e-01 -6.202196858e-01 3.98 -5.966297902e-01 -5.966297902e-01 4.00 -5.739285976e-01 -5.739285976e-01 4.02 -5.520934398e-01 -5.520934398e-01 4.04 -5.310892040e-01 -5.310892040e-01 4.06 -5.108709032e-01 -5.108709032e-01 4.08 -4.913865248e-01 -4.913865248e-01 4.10 -4.725795407e-01 -4.725795407e-01 4.12 -4.543926626e-01 -4.543926626e-01 4.14 -4.367680704e-01 -4.367680704e-01 4.16 -4.196505487e-01 -4.196505487e-01 4.18 -4.029885311e-01 -4.029885311e-01 4.20 -3.867352026e-01 -3.867352026e-01 4.22 -3.708493449e-01 -3.708493449e-01 4.24 -3.552959641e-01 -3.552959641e-01 4.26 -3.400467273e-01 -3.400467273e-01 4.28 -3.250802318e-01 -3.250802318e-01 4.30 -3.103821347e-01 -3.103821347e-01 4.32 -2.959451807e-01 -2.959451807e-01 4.34 -2.817691655e-01 -2.817691655e-01 4.36 -2.678608567e-01 -2.678608567e-01 4.38 -2.542338575e-01 -2.542338575e-01 4.40 -2.409083450e-01 -2.409083450e-01 4.42 -2.279105743e-01 -2.279105743e-01 4.44 -2.152720155e-01 -2.152720155e-01 4.46 -2.030280227e-01 -2.030280227e-01 4.48 -1.912160037e-01 -1.912160037e-01 4.50 -1.798731660e-01 -1.798731660e-01 4.52 -1.690340211e-01 -1.690340211e-01 4.54 -1.587279117e-01 -1.587279117e-01 4.56 -1.489768532e-01 -1.489768532e-01 4.58 -1.397939430e-01 -1.397939430e-01 4.60 -1.311825088e-01 -1.311825088e-01 4.62 -1.231360485e-01 -1.231360485e-01 4.64 -1.156389043e-01 -1.156389043e-01 4.66 -1.086675178e-01 -1.086675178e-01 4.68 -1.021920498e-01 -1.021920498e-01 4.70 -9.617822614e-02 -9.617822614e-02 4.72 -9.058916333e-02 -9.058916333e-02 4.74 -8.538625167e-02 -8.538625167e-02 4.76 -8.053216060e-02 -8.053216060e-02 4.78 -7.599227747e-02 -7.599227747e-02 4.80 -7.173399022e-02 -7.173399022e-02 4.82 -6.772844406e-02 -6.772844406e-02 4.84 -6.394975850e-02 -6.394975850e-02 4.86 -6.037626507e-02 -6.037626507e-02 4.88 -5.699030546e-02 -5.699030546e-02 4.90 -5.377806984e-02 -5.377806984e-02 4.92 -5.072925118e-02 -5.072925118e-02 4.94 -4.783652819e-02 -4.783652819e-02 4.96 -4.509495026e-02 -4.509495026e-02 4.98 -4.250130181e-02 -4.250130181e-02 5.00 -4.005334415e-02 -4.005334415e-02 5.02 -3.774914870e-02 -3.774914870e-02 5.04 -3.558652826e-02 -3.558652826e-02 5.06 -3.356260584e-02 -3.356260584e-02 5.08 -3.167354350e-02 -3.167354350e-02 5.10 -2.991443263e-02 -2.991443263e-02 5.12 -2.827932657e-02 -2.827932657e-02 5.14 -2.676138476e-02 -2.676138476e-02 5.16 -2.535308984e-02 -2.535308984e-02 5.18 -2.404649949e-02 -2.404649949e-02 5.20 -2.283350067e-02 -2.283350067e-02 5.22 -2.170604252e-02 -2.170604252e-02 5.24 -2.065633297e-02 -2.065633297e-02 5.26 -1.967699225e-02 -1.967699225e-02 5.28 -1.876116278e-02 -1.876116278e-02 5.30 -1.790257883e-02 -1.790257883e-02 5.32 -1.709560179e-02 -1.709560179e-02 5.34 -1.633522722e-02 -1.633522722e-02 5.36 -1.561706983e-02 -1.561706983e-02 5.38 -1.493731475e-02 -1.493731475e-02 5.40 -1.429267053e-02 -1.429267053e-02 5.42 -1.368038469e-02 -1.368038469e-02 5.44 -1.309813410e-02 -1.309813410e-02 5.46 -1.254395985e-02 -1.254395985e-02 5.48 -1.201620344e-02 -1.201620344e-02 5.50 -1.151344413e-02 -1.151344413e-02 5.52 -1.103443993e-02 -1.103443993e-02 5.54 -1.057807457e-02 -1.057807457e-02 5.56 -1.014331239e-02 -1.014331239e-02 5.58 -9.729162491e-03 -9.729162491e-03 5.60 -9.334652641e-03 -9.334652641e-03 5.62 -8.958812687e-03 -8.958812687e-03 5.64 -8.600666379e-03 -8.600666379e-03 5.66 -8.259230094e-03 -8.259230094e-03 5.68 -7.933516597e-03 -7.933516597e-03 5.70 -7.622541975e-03 -7.622541975e-03 5.72 -7.325334077e-03 -7.325334077e-03 5.74 -7.040941099e-03 -7.040941099e-03 5.76 -6.768439362e-03 -6.768439362e-03 5.78 -6.506939699e-03 -6.506939699e-03 5.80 -6.255592208e-03 -6.255592208e-03 5.82 -6.013589376e-03 -6.013589376e-03 5.84 -5.780167757e-03 -5.780167757e-03 5.86 -5.554608512e-03 -5.554608512e-03 5.88 -5.336237139e-03 -5.336237139e-03 5.90 -5.124422748e-03 -5.124422748e-03 5.92 -4.918577207e-03 -4.918577207e-03 5.94 -4.718154448e-03 -4.718154448e-03 5.96 -4.522650168e-03 -4.522650168e-03 5.98 -4.331602113e-03 -4.331602113e-03 6.00 -4.144591079e-03 -4.144591079e-03