# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2021--Deluigi-O-R-Pasianot-R-C-Valencia-F-J-et-al--Fe-Ni-Cr-Co-Cu # implementation = 2021--Deluigi-O-R--Fe-Ni-Cr-Co-Cu--LAMMPS--ipr1 # composition = CrCuNi2 # 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 -1.446609382e+02 -1.446609382e+02 1.04 -1.414310024e+02 -1.414310024e+02 1.06 -1.380937184e+02 -1.380937184e+02 1.08 -1.350180133e+02 -1.350180133e+02 1.10 -1.320387705e+02 -1.320387705e+02 1.12 -1.287256366e+02 -1.287256366e+02 1.14 -1.250343129e+02 -1.250343129e+02 1.16 -1.211197553e+02 -1.211197553e+02 1.18 -1.173960573e+02 -1.173960573e+02 1.20 -1.143962696e+02 -1.143962696e+02 1.22 -1.121700148e+02 -1.121700148e+02 1.24 -1.102915730e+02 -1.102915730e+02 1.26 -1.084096297e+02 -1.084096297e+02 1.28 -1.064833412e+02 -1.064833412e+02 1.30 -1.044606497e+02 -1.044606497e+02 1.32 -1.021754459e+02 -1.021754459e+02 1.34 -9.950266445e+01 -9.950266445e+01 1.36 -9.654974862e+01 -9.654974862e+01 1.38 -9.354378822e+01 -9.354378822e+01 1.40 -9.056763568e+01 -9.056763568e+01 1.42 -8.746438519e+01 -8.746438519e+01 1.44 -8.403595287e+01 -8.403595287e+01 1.46 -8.019494312e+01 -8.019494312e+01 1.48 -7.598204335e+01 -7.598204335e+01 1.50 -7.149072138e+01 -7.149072138e+01 1.52 -6.681911510e+01 -6.681911510e+01 1.54 -6.202155060e+01 -6.202155060e+01 1.56 -5.706451601e+01 -5.706451601e+01 1.58 -5.184049343e+01 -5.184049343e+01 1.60 -4.627180195e+01 -4.627180195e+01 1.62 -4.043317953e+01 -4.043317953e+01 1.64 -3.454384722e+01 -3.454384722e+01 1.66 -2.884170642e+01 -2.884170642e+01 1.68 -2.346732896e+01 -2.346732896e+01 1.70 -1.846923187e+01 -1.846923187e+01 1.72 -1.388698975e+01 -1.388698975e+01 1.74 -9.764077917e+00 -9.764077917e+00 1.76 -6.318378067e+00 -6.318378067e+00 1.78 -3.951003569e+00 -3.951003569e+00 1.80 -2.420345240e+00 -2.420345240e+00 1.82 -1.442469489e+00 -1.442469489e+00 1.84 -8.428204372e-01 -8.428204372e-01 1.86 -5.199828954e-01 -5.199828954e-01 1.88 -4.032025680e-01 -4.032025680e-01 1.90 -4.309080362e-01 -4.309080362e-01 1.92 -5.505131787e-01 -5.505131787e-01 1.94 -7.264704525e-01 -7.264704525e-01 1.96 -9.388703695e-01 -9.388703695e-01 1.98 -1.176380452e+00 -1.176380452e+00 2.00 -1.432278555e+00 -1.432278555e+00 2.02 -1.701185032e+00 -1.701185032e+00 2.04 -1.976474242e+00 -1.976474242e+00 2.06 -2.251939332e+00 -2.251939332e+00 2.08 -2.521311186e+00 -2.521311186e+00 2.10 -2.777704102e+00 -2.777704102e+00 2.12 -3.014479641e+00 -3.014479641e+00 2.14 -3.225774705e+00 -3.225774705e+00 2.16 -3.406805918e+00 -3.406805918e+00 2.18 -3.554110263e+00 -3.554110263e+00 2.20 -3.666449225e+00 -3.666449225e+00 2.22 -3.747681327e+00 -3.747681327e+00 2.24 -3.806627878e+00 -3.806627878e+00 2.26 -3.852848255e+00 -3.852848255e+00 2.28 -3.893286082e+00 -3.893286082e+00 2.30 -3.929244850e+00 -3.929244850e+00 2.32 -3.960825736e+00 -3.960825736e+00 2.34 -3.988047377e+00 -3.988047377e+00 2.36 -4.010800160e+00 -4.010800160e+00 2.38 -4.028786494e+00 -4.028786494e+00 2.40 -4.041304135e+00 -4.041304135e+00 2.42 -4.047360261e+00 -4.047360261e+00 2.44 -4.046522766e+00 -4.046522766e+00 2.46 -4.039835765e+00 -4.039835765e+00 2.48 -4.028609929e+00 -4.028609929e+00 2.50 -4.014041653e+00 -4.014041653e+00 2.52 -3.996343281e+00 -3.996343281e+00 2.54 -3.975094034e+00 -3.975094034e+00 2.56 -3.950014677e+00 -3.950014677e+00 2.58 -3.921024696e+00 -3.921024696e+00 2.60 -3.888336644e+00 -3.888336644e+00 2.62 -3.852289337e+00 -3.852289337e+00 2.64 -3.813281050e+00 -3.813281050e+00 2.66 -3.771724628e+00 -3.771724628e+00 2.68 -3.727837546e+00 -3.727837546e+00 2.70 -3.681725628e+00 -3.681725628e+00 2.72 -3.633468188e+00 -3.633468188e+00 2.74 -3.583114646e+00 -3.583114646e+00 2.76 -3.530713942e+00 -3.530713942e+00 2.78 -3.476418511e+00 -3.476418511e+00 2.80 -3.420516069e+00 -3.420516069e+00 2.82 -3.363288285e+00 -3.363288285e+00 2.84 -3.304932189e+00 -3.304932189e+00 2.86 -3.245546901e+00 -3.245546901e+00 2.88 -3.184801429e+00 -3.184801429e+00 2.90 -3.122004015e+00 -3.122004015e+00 2.92 -3.056879975e+00 -3.056879975e+00 2.94 -2.989305946e+00 -2.989305946e+00 2.96 -2.918959685e+00 -2.918959685e+00 2.98 -2.845371002e+00 -2.845371002e+00 3.00 -2.768329876e+00 -2.768329876e+00 3.02 -2.687919311e+00 -2.687919311e+00 3.04 -2.604588972e+00 -2.604588972e+00 3.06 -2.518930614e+00 -2.518930614e+00 3.08 -2.431488800e+00 -2.431488800e+00 3.10 -2.342756412e+00 -2.342756412e+00 3.12 -2.253331460e+00 -2.253331460e+00 3.14 -2.163965638e+00 -2.163965638e+00 3.16 -2.075825057e+00 -2.075825057e+00 3.18 -1.990258846e+00 -1.990258846e+00 3.20 -1.908174748e+00 -1.908174748e+00 3.22 -1.829999770e+00 -1.829999770e+00 3.24 -1.755807643e+00 -1.755807643e+00 3.26 -1.685380649e+00 -1.685380649e+00 3.28 -1.618272685e+00 -1.618272685e+00 3.30 -1.553892145e+00 -1.553892145e+00 3.32 -1.491599043e+00 -1.491599043e+00 3.34 -1.430805340e+00 -1.430805340e+00 3.36 -1.371104428e+00 -1.371104428e+00 3.38 -1.312314942e+00 -1.312314942e+00 3.40 -1.254458720e+00 -1.254458720e+00 3.42 -1.197772122e+00 -1.197772122e+00 3.44 -1.142566315e+00 -1.142566315e+00 3.46 -1.089142072e+00 -1.089142072e+00 3.48 -1.037736488e+00 -1.037736488e+00 3.50 -9.884930265e-01 -9.884930265e-01 3.52 -9.414557851e-01 -9.414557851e-01 3.54 -8.965819483e-01 -8.965819483e-01 3.56 -8.537658133e-01 -8.537658133e-01 3.58 -8.128731357e-01 -8.128731357e-01 3.60 -7.737680988e-01 -7.737680988e-01 3.62 -7.363140656e-01 -7.363140656e-01 3.64 -7.003813438e-01 -7.003813438e-01 3.66 -6.658808787e-01 -6.658808787e-01 3.68 -6.327365589e-01 -6.327365589e-01 3.70 -6.008722074e-01 -6.008722074e-01 3.72 -5.702116076e-01 -5.702116076e-01 3.74 -5.406787040e-01 -5.406787040e-01 3.76 -5.121979216e-01 -5.121979216e-01 3.78 -4.846940600e-01 -4.846940600e-01 3.80 -4.580928232e-01 -4.580928232e-01 3.82 -4.323208729e-01 -4.323208729e-01 3.84 -4.073063502e-01 -4.073063502e-01 3.86 -3.829854345e-01 -3.829854345e-01 3.88 -3.593504092e-01 -3.593504092e-01 3.90 -3.364208323e-01 -3.364208323e-01 3.92 -3.142154421e-01 -3.142154421e-01 3.94 -2.927470188e-01 -2.927470188e-01 3.96 -2.720192101e-01 -2.720192101e-01 3.98 -2.520337131e-01 -2.520337131e-01 4.00 -2.327912014e-01 -2.327912014e-01 4.02 -2.142912141e-01 -2.142912141e-01 4.04 -1.965176413e-01 -1.965176413e-01 4.06 -1.791358383e-01 -1.791358383e-01 4.08 -1.616146583e-01 -1.616146583e-01 4.10 -1.435743989e-01 -1.435743989e-01 4.12 -1.247895149e-01 -1.247895149e-01 4.14 -1.051644410e-01 -1.051644410e-01 4.16 -8.471293331e-02 -8.471293331e-02 4.18 -6.356201600e-02 -6.356201600e-02 4.20 -4.194435946e-02 -4.194435946e-02 4.22 -2.020881610e-02 -2.020881610e-02 4.24 1.222385668e-03 1.222385668e-03 4.26 2.188536571e-02 2.188536571e-02 4.28 4.129940520e-02 4.129940520e-02 4.30 5.899020651e-02 5.899020651e-02 4.32 7.451522051e-02 7.451522051e-02 4.34 8.748817776e-02 8.748817776e-02 4.36 9.760419388e-02 9.760419388e-02 4.38 1.046629298e-01 1.046629298e-01 4.40 1.086340508e-01 1.086340508e-01 4.42 1.102913215e-01 1.102913215e-01 4.44 1.109089683e-01 1.109089683e-01 4.46 1.117477156e-01 1.117477156e-01 4.48 1.140219538e-01 1.140219538e-01 4.50 1.188616175e-01 1.188616175e-01 4.52 1.272677599e-01 1.272677599e-01 4.54 1.400856823e-01 1.400856823e-01 4.56 1.579423150e-01 1.579423150e-01 4.58 1.811723305e-01 1.811723305e-01 4.60 2.097897310e-01 2.097897310e-01 4.62 2.434969098e-01 2.434969098e-01 4.64 2.817265258e-01 2.817265258e-01 4.66 3.237126319e-01 3.237126319e-01 4.68 3.685716784e-01 3.685716784e-01 4.70 4.153774375e-01 4.153774375e-01 4.72 4.632092008e-01 4.632092008e-01 4.74 5.111739496e-01 5.111739496e-01 4.76 5.584008002e-01 5.584008002e-01 4.78 6.040457074e-01 6.040457074e-01 4.80 6.472788695e-01 6.472788695e-01 4.82 6.872613356e-01 6.872613356e-01 4.84 7.231725645e-01 7.231725645e-01 4.86 7.542337785e-01 7.542337785e-01 4.88 7.797292281e-01 7.797292281e-01 4.90 7.990269133e-01 7.990269133e-01 4.92 8.115947691e-01 8.115947691e-01 4.94 8.170165483e-01 8.170165483e-01 4.96 8.150070736e-01 8.150070736e-01 4.98 8.054238616e-01 8.054238616e-01 5.00 7.882790382e-01 7.882790382e-01 5.02 7.637495657e-01 7.637495657e-01 5.04 7.321848649e-01 7.321848649e-01 5.06 6.941092603e-01 6.941092603e-01 5.08 6.502254361e-01 6.502254361e-01 5.10 6.014130034e-01 6.014130034e-01 5.12 5.487171610e-01 5.487171610e-01 5.14 4.933276220e-01 4.933276220e-01 5.16 4.365472546e-01 4.365472546e-01 5.18 3.797474751e-01 3.797474751e-01 5.20 3.243097940e-01 3.243097940e-01 5.22 2.715695549e-01 2.715695549e-01 5.24 2.227765847e-01 2.227765847e-01 5.26 1.789435932e-01 1.789435932e-01 5.28 1.407553663e-01 1.407553663e-01 5.30 1.085325903e-01 1.085325903e-01 5.32 8.222713335e-02 8.222713335e-02 5.34 6.145720520e-02 6.145720520e-02 5.36 4.557850085e-02 4.557850085e-02 5.38 3.378328609e-02 3.378328609e-02 5.40 2.520942531e-02 2.520942531e-02 5.42 1.904045815e-02 1.904045815e-02 5.44 1.457910409e-02 1.457910409e-02 5.46 1.128477595e-02 1.128477595e-02 5.48 8.776321922e-03 8.776321922e-03 5.50 6.808804541e-03 6.808804541e-03 5.52 5.238166781e-03 5.238166781e-03 5.54 3.980071656e-03 3.980071656e-03 5.56 2.974373892e-03 2.974373892e-03 5.58 2.178193120e-03 2.178193120e-03 5.60 1.557437793e-03 1.557437793e-03 5.62 1.082595181e-03 1.082595181e-03 5.64 7.273589728e-04 7.273589728e-04 5.66 4.684242305e-04 4.684242305e-04 5.68 2.855667966e-04 2.855667966e-04 5.70 1.615572969e-04 1.615572969e-04 5.72 8.206092114e-05 8.206092114e-05 5.74 3.517677291e-05 3.517677291e-05 5.76 1.111795623e-05 1.111795623e-05 5.78 1.753020128e-06 1.753020128e-06 5.80 7.284256259e-09 7.284256259e-09 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00