# 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 = Co2FeTi # 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 1.737297842e+02 1.737297842e+02 1.30 1.591277194e+02 1.591277194e+02 1.32 1.457171434e+02 1.457171434e+02 1.34 1.333936437e+02 1.333936437e+02 1.36 1.220634218e+02 1.220634218e+02 1.38 1.116429774e+02 1.116429774e+02 1.40 1.020576897e+02 1.020576897e+02 1.42 9.324010370e+01 9.324010370e+01 1.44 8.512854749e+01 8.512854749e+01 1.46 7.766640342e+01 7.766640342e+01 1.48 7.080190553e+01 7.080190553e+01 1.50 6.448793424e+01 6.448793424e+01 1.52 5.868139802e+01 5.868139802e+01 1.54 5.334246174e+01 5.334246174e+01 1.56 4.843412318e+01 4.843412318e+01 1.58 4.392211994e+01 4.392211994e+01 1.60 3.977482413e+01 3.977482413e+01 1.62 3.596299350e+01 3.596299350e+01 1.64 3.245946379e+01 3.245946379e+01 1.66 2.923889803e+01 2.923889803e+01 1.68 2.627787146e+01 2.627787146e+01 1.70 2.355486354e+01 2.355486354e+01 1.72 2.105160072e+01 2.105160072e+01 1.74 1.875039111e+01 1.875039111e+01 1.76 1.663499993e+01 1.663499993e+01 1.78 1.469080487e+01 1.469080487e+01 1.80 1.290464518e+01 1.290464518e+01 1.82 1.126467891e+01 1.126467891e+01 1.84 9.760201066e+00 9.760201066e+00 1.86 8.381423942e+00 8.381423942e+00 1.88 7.119254532e+00 7.119254532e+00 1.90 5.965102381e+00 5.965102381e+00 1.92 4.910742000e+00 4.910742000e+00 1.94 3.948253871e+00 3.948253871e+00 1.96 3.070052748e+00 3.070052748e+00 1.98 2.268976889e+00 2.268976889e+00 2.00 1.538385291e+00 1.538385291e+00 2.02 8.722179339e-01 8.722179339e-01 2.04 2.650030714e-01 2.650030714e-01 2.06 -2.881760639e-01 -2.881760639e-01 2.08 -7.917304475e-01 -7.917304475e-01 2.10 -1.249615067e+00 -1.249615067e+00 2.12 -1.665380754e+00 -1.665380754e+00 2.14 -2.042231947e+00 -2.042231947e+00 2.16 -2.383085297e+00 -2.383085297e+00 2.18 -2.690620434e+00 -2.690620434e+00 2.20 -2.967319480e+00 -2.967319480e+00 2.22 -3.215498556e+00 -3.215498556e+00 2.24 -3.437332827e+00 -3.437332827e+00 2.26 -3.634872571e+00 -3.634872571e+00 2.28 -3.810047438e+00 -3.810047438e+00 2.30 -3.964659867e+00 -3.964659867e+00 2.32 -4.100374536e+00 -4.100374536e+00 2.34 -4.218708699e+00 -4.218708699e+00 2.36 -4.321029115e+00 -4.321029115e+00 2.38 -4.408557644e+00 -4.408557644e+00 2.40 -4.482386532e+00 -4.482386532e+00 2.42 -4.543501140e+00 -4.543501140e+00 2.44 -4.592834367e+00 -4.592834367e+00 2.46 -4.631267441e+00 -4.631267441e+00 2.48 -4.659530719e+00 -4.659530719e+00 2.50 -4.678376527e+00 -4.678376527e+00 2.52 -4.688596744e+00 -4.688596744e+00 2.54 -4.690823781e+00 -4.690823781e+00 2.56 -4.685704168e+00 -4.685704168e+00 2.58 -4.673872486e+00 -4.673872486e+00 2.60 -4.655818394e+00 -4.655818394e+00 2.62 -4.632005824e+00 -4.632005824e+00 2.64 -4.602901997e+00 -4.602901997e+00 2.66 -4.568923171e+00 -4.568923171e+00 2.68 -4.530327671e+00 -4.530327671e+00 2.70 -4.487315505e+00 -4.487315505e+00 2.72 -4.440085019e+00 -4.440085019e+00 2.74 -4.388839284e+00 -4.388839284e+00 2.76 -4.333793594e+00 -4.333793594e+00 2.78 -4.275181115e+00 -4.275181115e+00 2.80 -4.213215067e+00 -4.213215067e+00 2.82 -4.148035409e+00 -4.148035409e+00 2.84 -4.079814465e+00 -4.079814465e+00 2.86 -4.008766979e+00 -4.008766979e+00 2.88 -3.935139553e+00 -3.935139553e+00 2.90 -3.859200430e+00 -3.859200430e+00 2.92 -3.781230549e+00 -3.781230549e+00 2.94 -3.701516966e+00 -3.701516966e+00 2.96 -3.620349386e+00 -3.620349386e+00 2.98 -3.538019562e+00 -3.538019562e+00 3.00 -3.454821947e+00 -3.454821947e+00 3.02 -3.371052844e+00 -3.371052844e+00 3.04 -3.287005427e+00 -3.287005427e+00 3.06 -3.202960016e+00 -3.202960016e+00 3.08 -3.119170966e+00 -3.119170966e+00 3.10 -3.035855061e+00 -3.035855061e+00 3.12 -2.953185036e+00 -2.953185036e+00 3.14 -2.871291049e+00 -2.871291049e+00 3.16 -2.790268757e+00 -2.790268757e+00 3.18 -2.710192082e+00 -2.710192082e+00 3.20 -2.631126355e+00 -2.631126355e+00 3.22 -2.553139219e+00 -2.553139219e+00 3.24 -2.476307557e+00 -2.476307557e+00 3.26 -2.400720021e+00 -2.400720021e+00 3.28 -2.326475603e+00 -2.326475603e+00 3.30 -2.253679229e+00 -2.253679229e+00 3.32 -2.182435593e+00 -2.182435593e+00 3.34 -2.112842467e+00 -2.112842467e+00 3.36 -2.044984610e+00 -2.044984610e+00 3.38 -1.978929167e+00 -1.978929167e+00 3.40 -1.914723061e+00 -1.914723061e+00 3.42 -1.852392692e+00 -1.852392692e+00 3.44 -1.791945476e+00 -1.791945476e+00 3.46 -1.733373138e+00 -1.733373138e+00 3.48 -1.676655779e+00 -1.676655779e+00 3.50 -1.621766045e+00 -1.621766045e+00 3.52 -1.568672623e+00 -1.568672623e+00 3.54 -1.517342467e+00 -1.517342467e+00 3.56 -1.467741478e+00 -1.467741478e+00 3.58 -1.419833780e+00 -1.419833780e+00 3.60 -1.373580103e+00 -1.373580103e+00 3.62 -1.328936038e+00 -1.328936038e+00 3.64 -1.285850866e+00 -1.285850866e+00 3.66 -1.244267443e+00 -1.244267443e+00 3.68 -1.204123199e+00 -1.204123199e+00 3.70 -1.165352006e+00 -1.165352006e+00 3.72 -1.127886479e+00 -1.127886479e+00 3.74 -1.091660238e+00 -1.091660238e+00 3.76 -1.056609808e+00 -1.056609808e+00 3.78 -1.022675963e+00 -1.022675963e+00 3.80 -9.898044754e-01 -9.898044754e-01 3.82 -9.579463365e-01 -9.579463365e-01 3.84 -9.270575569e-01 -9.270575569e-01 3.86 -8.970986842e-01 -8.970986842e-01 3.88 -8.680341589e-01 -8.680341589e-01 3.90 -8.398316109e-01 -8.398316109e-01 3.92 -8.124611474e-01 -8.124611474e-01 3.94 -7.858948414e-01 -7.858948414e-01 3.96 -7.601060409e-01 -7.601060409e-01 3.98 -7.350690807e-01 -7.350690807e-01 4.00 -7.107589621e-01 -7.107589621e-01 4.02 -6.871511811e-01 -6.871511811e-01 4.04 -6.642216727e-01 -6.642216727e-01 4.06 -6.419468691e-01 -6.419468691e-01 4.08 -6.203038673e-01 -6.203038673e-01 4.10 -5.992706449e-01 -5.992706449e-01 4.12 -5.788266805e-01 -5.788266805e-01 4.14 -5.589530091e-01 -5.589530091e-01 4.16 -5.396329935e-01 -5.396329935e-01 4.18 -5.208527364e-01 -5.208527364e-01 4.20 -5.026014857e-01 -5.026014857e-01 4.22 -4.848718735e-01 -4.848718735e-01 4.24 -4.676598970e-01 -4.676598970e-01 4.26 -4.509645688e-01 -4.509645688e-01 4.28 -4.347872052e-01 -4.347872052e-01 4.30 -4.191303820e-01 -4.191303820e-01 4.32 -4.039966592e-01 -4.039966592e-01 4.34 -3.893872344e-01 -3.893872344e-01 4.36 -3.753007141e-01 -3.753007141e-01 4.38 -3.617321735e-01 -3.617321735e-01 4.40 -3.486726223e-01 -3.486726223e-01 4.42 -3.361089117e-01 -3.361089117e-01 4.44 -3.240240374e-01 -3.240240374e-01 4.46 -3.123977368e-01 -3.123977368e-01 4.48 -3.012072497e-01 -3.012072497e-01 4.50 -2.904281197e-01 -2.904281197e-01 4.52 -2.800349380e-01 -2.800349380e-01 4.54 -2.700019707e-01 -2.700019707e-01 4.56 -2.603036431e-01 -2.603036431e-01 4.58 -2.509148874e-01 -2.509148874e-01 4.60 -2.418113726e-01 -2.418113726e-01 4.62 -2.329696525e-01 -2.329696525e-01 4.64 -2.243672643e-01 -2.243672643e-01 4.66 -2.159828131e-01 -2.159828131e-01 4.68 -2.077960726e-01 -2.077960726e-01 4.70 -1.997881261e-01 -1.997881261e-01 4.72 -1.919415676e-01 -1.919415676e-01 4.74 -1.842407743e-01 -1.842407743e-01 4.76 -1.766722529e-01 -1.766722529e-01 4.78 -1.692250531e-01 -1.692250531e-01 4.80 -1.618911854e-01 -1.618911854e-01 4.82 -1.546662652e-01 -1.546662652e-01 4.84 -1.475496736e-01 -1.475496736e-01 4.86 -1.405450793e-01 -1.405450793e-01 4.88 -1.336605498e-01 -1.336605498e-01 4.90 -1.269084731e-01 -1.269084731e-01 4.92 -1.203051875e-01 -1.203051875e-01 4.94 -1.138702909e-01 -1.138702909e-01 4.96 -1.076256435e-01 -1.076256435e-01 4.98 -1.015941199e-01 -1.015941199e-01 5.00 -9.579821138e-02 -9.579821138e-02 5.02 -9.025860805e-02 -9.025860805e-02 5.04 -8.499289859e-02 -8.499289859e-02 5.06 -8.001451448e-02 -8.001451448e-02 5.08 -7.533187703e-02 -7.533187703e-02 5.10 -7.094824074e-02 -7.094824074e-02 5.12 -6.686194637e-02 -6.686194637e-02 5.14 -6.306648026e-02 -6.306648026e-02 5.16 -5.955112097e-02 -5.955112097e-02 5.18 -5.630163656e-02 -5.630163656e-02 5.20 -5.330107799e-02 -5.330107799e-02 5.22 -5.053144174e-02 -5.053144174e-02 5.24 -4.797376630e-02 -4.797376630e-02 5.26 -4.560878836e-02 -4.560878836e-02 5.28 -4.341753046e-02 -4.341753046e-02 5.30 -4.138173883e-02 -4.138173883e-02 5.32 -3.948418448e-02 -3.948418448e-02 5.34 -3.770884743e-02 -3.770884743e-02 5.36 -3.604100742e-02 -3.604100742e-02 5.38 -3.446726381e-02 -3.446726381e-02 5.40 -3.297550584e-02 -3.297550584e-02 5.42 -3.155485129e-02 -3.155485129e-02 5.44 -3.019556800e-02 -3.019556800e-02 5.46 -2.888899012e-02 -2.888899012e-02 5.48 -2.762743735e-02 -2.762743735e-02 5.50 -2.640414348e-02 -2.640414348e-02 5.52 -2.521319820e-02 -2.521319820e-02 5.54 -2.404950432e-02 -2.404950432e-02 5.56 -2.290875064e-02 -2.290875064e-02 5.58 -2.178740013e-02 -2.178740013e-02 5.60 -2.068269048e-02 -2.068269048e-02 5.62 -1.959264343e-02 -1.959264343e-02 5.64 -1.851607746e-02 -1.851607746e-02 5.66 -1.745261755e-02 -1.745261755e-02 5.68 -1.640269466e-02 -1.640269466e-02 5.70 -1.536752728e-02 -1.536752728e-02 5.72 -1.434907820e-02 -1.434907820e-02 5.74 -1.334998064e-02 -1.334998064e-02 5.76 -1.237342907e-02 -1.237342907e-02 5.78 -1.142293745e-02 -1.142293745e-02 5.80 -1.050235826e-02 -1.050235826e-02 5.82 -9.615680712e-03 -9.615680712e-03 5.84 -8.766756105e-03 -8.766756105e-03 5.86 -7.959106169e-03 -7.959106169e-03 5.88 -7.195752199e-03 -7.195752199e-03 5.90 -6.479077669e-03 -6.479077669e-03 5.92 -5.810733503e-03 -5.810733503e-03 5.94 -5.191590622e-03 -5.191590622e-03 5.96 -4.621739443e-03 -4.621739443e-03 5.98 -4.100531624e-03 -4.100531624e-03 6.00 -3.626655957e-03 -3.626655957e-03