# 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 = Cr2FeNi # 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 -2.432078481e+02 -2.432078481e+02 1.04 -2.332928564e+02 -2.332928564e+02 1.06 -2.242646329e+02 -2.242646329e+02 1.08 -2.160329628e+02 -2.160329628e+02 1.10 -2.083879352e+02 -2.083879352e+02 1.12 -2.011968998e+02 -2.011968998e+02 1.14 -1.943388735e+02 -1.943388735e+02 1.16 -1.876496559e+02 -1.876496559e+02 1.18 -1.809827906e+02 -1.809827906e+02 1.20 -1.742664989e+02 -1.742664989e+02 1.22 -1.676205026e+02 -1.676205026e+02 1.24 -1.613362823e+02 -1.613362823e+02 1.26 -1.555863841e+02 -1.555863841e+02 1.28 -1.503373914e+02 -1.503373914e+02 1.30 -1.454143725e+02 -1.454143725e+02 1.32 -1.406918634e+02 -1.406918634e+02 1.34 -1.360816749e+02 -1.360816749e+02 1.36 -1.314527221e+02 -1.314527221e+02 1.38 -1.266699574e+02 -1.266699574e+02 1.40 -1.216709707e+02 -1.216709707e+02 1.42 -1.164531866e+02 -1.164531866e+02 1.44 -1.110282746e+02 -1.110282746e+02 1.46 -1.053946992e+02 -1.053946992e+02 1.48 -9.953882718e+01 -9.953882718e+01 1.50 -9.346499635e+01 -9.346499635e+01 1.52 -8.719684057e+01 -8.719684057e+01 1.54 -8.077482144e+01 -8.077482144e+01 1.56 -7.428174850e+01 -7.428174850e+01 1.58 -6.784562208e+01 -6.784562208e+01 1.60 -6.159157521e+01 -6.159157521e+01 1.62 -5.558571108e+01 -5.558571108e+01 1.64 -4.984972867e+01 -4.984972867e+01 1.66 -4.440323272e+01 -4.440323272e+01 1.68 -3.925979602e+01 -3.925979602e+01 1.70 -3.440582719e+01 -3.440582719e+01 1.72 -2.981757050e+01 -2.981757050e+01 1.74 -2.546921368e+01 -2.546921368e+01 1.76 -2.135289060e+01 -2.135289060e+01 1.78 -1.747176181e+01 -1.747176181e+01 1.80 -1.384427662e+01 -1.384427662e+01 1.82 -1.060305955e+01 -1.060305955e+01 1.84 -7.834538702e+00 -7.834538702e+00 1.86 -5.787574959e+00 -5.787574959e+00 1.88 -4.333272991e+00 -4.333272991e+00 1.90 -3.332228382e+00 -3.332228382e+00 1.92 -2.674663633e+00 -2.674663633e+00 1.94 -2.275286872e+00 -2.275286872e+00 1.96 -2.066447067e+00 -2.066447067e+00 1.98 -1.992976219e+00 -1.992976219e+00 2.00 -2.014875531e+00 -2.014875531e+00 2.02 -2.103382386e+00 -2.103382386e+00 2.04 -2.235812936e+00 -2.235812936e+00 2.06 -2.395049240e+00 -2.395049240e+00 2.08 -2.567859966e+00 -2.567859966e+00 2.10 -2.744951809e+00 -2.744951809e+00 2.12 -2.923151933e+00 -2.923151933e+00 2.14 -3.098968530e+00 -3.098968530e+00 2.16 -3.266900228e+00 -3.266900228e+00 2.18 -3.422100978e+00 -3.422100978e+00 2.20 -3.561827463e+00 -3.561827463e+00 2.22 -3.685741171e+00 -3.685741171e+00 2.24 -3.795545092e+00 -3.795545092e+00 2.26 -3.892218073e+00 -3.892218073e+00 2.28 -3.976415283e+00 -3.976415283e+00 2.30 -4.048110841e+00 -4.048110841e+00 2.32 -4.107288675e+00 -4.107288675e+00 2.34 -4.154134922e+00 -4.154134922e+00 2.36 -4.189146135e+00 -4.189146135e+00 2.38 -4.213186991e+00 -4.213186991e+00 2.40 -4.227258198e+00 -4.227258198e+00 2.42 -4.232603317e+00 -4.232603317e+00 2.44 -4.230511762e+00 -4.230511762e+00 2.46 -4.221915981e+00 -4.221915981e+00 2.48 -4.207500588e+00 -4.207500588e+00 2.50 -4.188191291e+00 -4.188191291e+00 2.52 -4.164676759e+00 -4.164676759e+00 2.54 -4.137052227e+00 -4.137052227e+00 2.56 -4.105346558e+00 -4.105346558e+00 2.58 -4.069619519e+00 -4.069619519e+00 2.60 -4.030111469e+00 -4.030111469e+00 2.62 -3.987112469e+00 -3.987112469e+00 2.64 -3.940895737e+00 -3.940895737e+00 2.66 -3.891730033e+00 -3.891730033e+00 2.68 -3.839733661e+00 -3.839733661e+00 2.70 -3.784966651e+00 -3.784966651e+00 2.72 -3.727519926e+00 -3.727519926e+00 2.74 -3.667495412e+00 -3.667495412e+00 2.76 -3.605005088e+00 -3.605005088e+00 2.78 -3.540329438e+00 -3.540329438e+00 2.80 -3.473967961e+00 -3.473967961e+00 2.82 -3.406538744e+00 -3.406538744e+00 2.84 -3.338699978e+00 -3.338699978e+00 2.86 -3.271089478e+00 -3.271089478e+00 2.88 -3.204217203e+00 -3.204217203e+00 2.90 -3.138238024e+00 -3.138238024e+00 2.92 -3.073297585e+00 -3.073297585e+00 2.94 -3.009525064e+00 -3.009525064e+00 2.96 -2.946956634e+00 -2.946956634e+00 2.98 -2.885456775e+00 -2.885456775e+00 3.00 -2.824850489e+00 -2.824850489e+00 3.02 -2.763204202e+00 -2.763204202e+00 3.04 -2.697240788e+00 -2.697240788e+00 3.06 -2.623757368e+00 -2.623757368e+00 3.08 -2.539538145e+00 -2.539538145e+00 3.10 -2.441390929e+00 -2.441390929e+00 3.12 -2.326442245e+00 -2.326442245e+00 3.14 -2.192149733e+00 -2.192149733e+00 3.16 -2.036313808e+00 -2.036313808e+00 3.18 -1.857292813e+00 -1.857292813e+00 3.20 -1.653650264e+00 -1.653650264e+00 3.22 -1.426960631e+00 -1.426960631e+00 3.24 -1.186418077e+00 -1.186418077e+00 3.26 -9.422888988e-01 -9.422888988e-01 3.28 -7.041032342e-01 -7.041032342e-01 3.30 -4.799106996e-01 -4.799106996e-01 3.32 -2.755225128e-01 -2.755225128e-01 3.34 -9.405398709e-02 -9.405398709e-02 3.36 6.393321164e-02 6.393321164e-02 3.38 1.998663875e-01 1.998663875e-01 3.40 3.163380189e-01 3.163380189e-01 3.42 4.162012594e-01 4.162012594e-01 3.44 5.020264386e-01 5.020264386e-01 3.46 5.758368760e-01 5.758368760e-01 3.48 6.390878873e-01 6.390878873e-01 3.50 6.927903402e-01 6.927903402e-01 3.52 7.376821099e-01 7.376821099e-01 3.54 7.743847469e-01 7.743847469e-01 3.56 8.035130190e-01 8.035130190e-01 3.58 8.257207579e-01 8.257207579e-01 3.60 8.416629194e-01 8.416629194e-01 3.62 8.519549414e-01 8.519549414e-01 3.64 8.571640797e-01 8.571640797e-01 3.66 8.577901838e-01 8.577901838e-01 3.68 8.542741171e-01 8.542741171e-01 3.70 8.470041853e-01 8.470041853e-01 3.72 8.363157183e-01 8.363157183e-01 3.74 8.224910343e-01 8.224910343e-01 3.76 8.057606351e-01 8.057606351e-01 3.78 7.863037685e-01 7.863037685e-01 3.80 7.642498986e-01 7.642498986e-01 3.82 7.396793886e-01 7.396793886e-01 3.84 7.126248559e-01 7.126248559e-01 3.86 6.830877284e-01 6.830877284e-01 3.88 6.511724983e-01 6.511724983e-01 3.90 6.170492058e-01 6.170492058e-01 3.92 5.808921700e-01 5.808921700e-01 3.94 5.428754763e-01 5.428754763e-01 3.96 5.031728155e-01 5.031728155e-01 3.98 4.619577409e-01 4.619577409e-01 4.00 4.194050673e-01 4.194050673e-01 4.02 3.756897890e-01 3.756897890e-01 4.04 3.309872889e-01 3.309872889e-01 4.06 2.854794569e-01 2.854794569e-01 4.08 2.393430152e-01 2.393430152e-01 4.10 1.927490307e-01 1.927490307e-01 4.12 1.458677920e-01 1.458677920e-01 4.14 9.887363573e-02 9.887363573e-02 4.16 5.194969112e-02 5.194969112e-02 4.18 5.281742793e-03 5.281742793e-03 4.20 -4.069151766e-02 -4.069151766e-02 4.22 -8.222756297e-02 -8.222756297e-02 4.24 -1.146475473e-01 -1.146475473e-01 4.26 -1.344453566e-01 -1.344453566e-01 4.28 -1.391930452e-01 -1.391930452e-01 4.30 -1.274364763e-01 -1.274364763e-01 4.32 -9.858559111e-02 -9.858559111e-02 4.34 -5.281546420e-02 -5.281546420e-02 4.36 9.032687084e-03 9.032687084e-03 4.38 8.554756243e-02 8.554756243e-02 4.40 1.748441004e-01 1.748441004e-01 4.42 2.746545065e-01 2.746545065e-01 4.44 3.824186302e-01 3.824186302e-01 4.46 4.953710794e-01 4.953710794e-01 4.48 6.106253438e-01 6.106253438e-01 4.50 7.252489496e-01 7.252489496e-01 4.52 8.363383493e-01 8.363383493e-01 4.54 9.411977221e-01 9.411977221e-01 4.56 1.038039714e+00 1.038039714e+00 4.58 1.125570820e+00 1.125570820e+00 4.60 1.202775211e+00 1.202775211e+00 4.62 1.268858643e+00 1.268858643e+00 4.64 1.323162262e+00 1.323162262e+00 4.66 1.365128479e+00 1.365128479e+00 4.68 1.394265174e+00 1.394265174e+00 4.70 1.410179301e+00 1.410179301e+00 4.72 1.412627796e+00 1.412627796e+00 4.74 1.401610690e+00 1.401610690e+00 4.76 1.377418318e+00 1.377418318e+00 4.78 1.340690533e+00 1.340690533e+00 4.80 1.292392484e+00 1.292392484e+00 4.82 1.233746771e+00 1.233746771e+00 4.84 1.166169118e+00 1.166169118e+00 4.86 1.091184491e+00 1.091184491e+00 4.88 1.010350266e+00 1.010350266e+00 4.90 9.252105670e-01 9.252105670e-01 4.92 8.372503402e-01 8.372503402e-01 4.94 7.478739248e-01 7.478739248e-01 4.96 6.583980965e-01 6.583980965e-01 4.98 5.700396192e-01 5.700396192e-01 5.00 4.839121860e-01 4.839121860e-01 5.02 4.010300735e-01 4.010300735e-01 5.04 3.223017076e-01 3.223017076e-01 5.06 2.485349824e-01 2.485349824e-01 5.08 1.804296195e-01 1.804296195e-01 5.10 1.185665306e-01 1.185665306e-01 5.12 6.339974279e-02 6.339974279e-02 5.14 1.525013455e-02 1.525013455e-02 5.16 -2.569880530e-02 -2.569880530e-02 5.18 -5.940867604e-02 -5.940867604e-02 5.20 -8.599016394e-02 -8.599016394e-02 5.22 -1.057139925e-01 -1.057139925e-01 5.24 -1.190206029e-01 -1.190206029e-01 5.26 -1.264523979e-01 -1.264523979e-01 5.28 -1.286380573e-01 -1.286380573e-01 5.30 -1.262905749e-01 -1.262905749e-01 5.32 -1.201961398e-01 -1.201961398e-01 5.34 -1.111914839e-01 -1.111914839e-01 5.36 -1.001310747e-01 -1.001310747e-01 5.38 -8.784706610e-02 -8.784706610e-02 5.40 -7.510696169e-02 -7.510696169e-02 5.42 -6.257460109e-02 -6.257460109e-02 5.44 -5.078183020e-02 -5.078183020e-02 5.46 -4.011258815e-02 -4.011258815e-02 5.48 -3.080305238e-02 -3.080305238e-02 5.50 -2.295356465e-02 -2.295356465e-02 5.52 -1.655118152e-02 -1.655118152e-02 5.54 -1.150095404e-02 -1.150095404e-02 5.56 -7.658433617e-03 -7.658433617e-03 5.58 -4.848572482e-03 -4.848572482e-03 5.60 -2.883326711e-03 -2.883326711e-03 5.62 -1.579497925e-03 -1.579497925e-03 5.64 -7.694521777e-04 -7.694521777e-04 5.66 -3.081949652e-04 -3.081949652e-04 5.68 -7.735046890e-05 -7.735046890e-05 5.70 1.454939768e-05 1.454939768e-05 5.72 3.385005549e-05 3.385005549e-05 5.74 2.414602328e-05 2.414602328e-05 5.76 9.869736877e-06 9.869736877e-06 5.78 1.778154054e-06 1.778154054e-06 5.80 6.932593158e-09 6.932593158e-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