# 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 = FeTaW2 # 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 3.757585944e+02 3.757585944e+02 1.30 3.458606982e+02 3.458606982e+02 1.32 3.183432224e+02 3.183432224e+02 1.34 2.929934402e+02 2.929934402e+02 1.36 2.696179948e+02 2.696179948e+02 1.38 2.480429847e+02 2.480429847e+02 1.40 2.281143411e+02 2.281143411e+02 1.42 2.096971756e+02 2.096971756e+02 1.44 1.926733059e+02 1.926733059e+02 1.46 1.769374639e+02 1.769374639e+02 1.48 1.623935532e+02 1.623935532e+02 1.50 1.489521967e+02 1.489521967e+02 1.52 1.365299594e+02 1.365299594e+02 1.54 1.250497308e+02 1.250497308e+02 1.56 1.144413140e+02 1.144413140e+02 1.58 1.046414551e+02 1.046414551e+02 1.60 9.559307747e+01 9.559307747e+01 1.62 8.724397927e+01 8.724397927e+01 1.64 7.954545379e+01 7.954545379e+01 1.66 7.245120812e+01 7.245120812e+01 1.68 6.591674904e+01 6.591674904e+01 1.70 5.989921517e+01 5.989921517e+01 1.72 5.435752848e+01 5.435752848e+01 1.74 4.925271004e+01 4.925271004e+01 1.76 4.454822654e+01 4.454822654e+01 1.78 4.021028078e+01 4.021028078e+01 1.80 3.620801377e+01 3.620801377e+01 1.82 3.251361795e+01 3.251361795e+01 1.84 2.910235101e+01 2.910235101e+01 1.86 2.595240748e+01 2.595240748e+01 1.88 2.304460499e+01 2.304460499e+01 1.90 2.036192774e+01 2.036192774e+01 1.92 1.789160285e+01 1.789160285e+01 1.94 1.562290272e+01 1.562290272e+01 1.96 1.354141094e+01 1.354141094e+01 1.98 1.163307510e+01 1.163307510e+01 2.00 9.884398546e+00 9.884398546e+00 2.02 8.282418739e+00 8.282418739e+00 2.04 6.814824910e+00 6.814824910e+00 2.06 5.470068099e+00 5.470068099e+00 2.08 4.237422360e+00 4.237422360e+00 2.10 3.106997030e+00 3.106997030e+00 2.12 2.069727257e+00 2.069727257e+00 2.14 1.117371123e+00 1.117371123e+00 2.16 2.425210293e-01 2.425210293e-01 2.18 -5.613867931e-01 -5.613867931e-01 2.20 -1.300090404e+00 -1.300090404e+00 2.22 -1.978565230e+00 -1.978565230e+00 2.24 -2.601131211e+00 -2.601131211e+00 2.26 -3.171587110e+00 -3.171587110e+00 2.28 -3.693348133e+00 -3.693348133e+00 2.30 -4.169565277e+00 -4.169565277e+00 2.32 -4.603212384e+00 -4.603212384e+00 2.34 -4.997135824e+00 -4.997135824e+00 2.36 -5.354069738e+00 -5.354069738e+00 2.38 -5.676625655e+00 -5.676625655e+00 2.40 -5.967268622e+00 -5.967268622e+00 2.42 -6.228292103e+00 -6.228292103e+00 2.44 -6.461801048e+00 -6.461801048e+00 2.46 -6.669707808e+00 -6.669707808e+00 2.48 -6.853740608e+00 -6.853740608e+00 2.50 -7.015460846e+00 -7.015460846e+00 2.52 -7.156284162e+00 -7.156284162e+00 2.54 -7.277470388e+00 -7.277470388e+00 2.56 -7.380059078e+00 -7.380059078e+00 2.58 -7.465259269e+00 -7.465259269e+00 2.60 -7.534218947e+00 -7.534218947e+00 2.62 -7.587959360e+00 -7.587959360e+00 2.64 -7.627368531e+00 -7.627368531e+00 2.66 -7.653425370e+00 -7.653425370e+00 2.68 -7.667047187e+00 -7.667047187e+00 2.70 -7.669071244e+00 -7.669071244e+00 2.72 -7.659922544e+00 -7.659922544e+00 2.74 -7.639675993e+00 -7.639675993e+00 2.76 -7.608461229e+00 -7.608461229e+00 2.78 -7.566443185e+00 -7.566443185e+00 2.80 -7.513651756e+00 -7.513651756e+00 2.82 -7.450132796e+00 -7.450132796e+00 2.84 -7.376042016e+00 -7.376042016e+00 2.86 -7.291642505e+00 -7.291642505e+00 2.88 -7.197304334e+00 -7.197304334e+00 2.90 -7.093504799e+00 -7.093504799e+00 2.92 -6.980827163e+00 -6.980827163e+00 2.94 -6.859955664e+00 -6.859955664e+00 2.96 -6.731664757e+00 -6.731664757e+00 2.98 -6.596801125e+00 -6.596801125e+00 3.00 -6.456258074e+00 -6.456258074e+00 3.02 -6.310943409e+00 -6.310943409e+00 3.04 -6.161745292e+00 -6.161745292e+00 3.06 -6.009495264e+00 -6.009495264e+00 3.08 -5.854928811e+00 -5.854928811e+00 3.10 -5.698672538e+00 -5.698672538e+00 3.12 -5.541233544e+00 -5.541233544e+00 3.14 -5.383000336e+00 -5.383000336e+00 3.16 -5.224254752e+00 -5.224254752e+00 3.18 -5.065131446e+00 -5.065131446e+00 3.20 -4.905430450e+00 -4.905430450e+00 3.22 -4.744856284e+00 -4.744856284e+00 3.24 -4.583127911e+00 -4.583127911e+00 3.26 -4.420006304e+00 -4.420006304e+00 3.28 -4.255320341e+00 -4.255320341e+00 3.30 -4.088989920e+00 -4.088989920e+00 3.32 -3.921045338e+00 -3.921045338e+00 3.34 -3.751642046e+00 -3.751642046e+00 3.36 -3.581069820e+00 -3.581069820e+00 3.38 -3.409755294e+00 -3.409755294e+00 3.40 -3.238256811e+00 -3.238256811e+00 3.42 -3.067250789e+00 -3.067250789e+00 3.44 -2.897509327e+00 -2.897509327e+00 3.46 -2.729869583e+00 -2.729869583e+00 3.48 -2.565196562e+00 -2.565196562e+00 3.50 -2.404342011e+00 -2.404342011e+00 3.52 -2.248103015e+00 -2.248103015e+00 3.54 -2.097184243e+00 -2.097184243e+00 3.56 -1.952167610e+00 -1.952167610e+00 3.58 -1.813492176e+00 -1.813492176e+00 3.60 -1.681445848e+00 -1.681445848e+00 3.62 -1.556168855e+00 -1.556168855e+00 3.64 -1.437667615e+00 -1.437667615e+00 3.66 -1.325836503e+00 -1.325836503e+00 3.68 -1.220484471e+00 -1.220484471e+00 3.70 -1.121363340e+00 -1.121363340e+00 3.72 -1.028194883e+00 -1.028194883e+00 3.74 -9.406943846e-01 -9.406943846e-01 3.76 -8.585890848e-01 -8.585890848e-01 3.78 -7.816306466e-01 -7.816306466e-01 3.80 -7.096015382e-01 -7.096015382e-01 3.82 -6.423158254e-01 -6.423158254e-01 3.84 -5.796153700e-01 -5.796153700e-01 3.86 -5.213627616e-01 -5.213627616e-01 3.88 -4.674324552e-01 -4.674324552e-01 3.90 -4.177015544e-01 -4.177015544e-01 3.92 -3.720414788e-01 -3.720414788e-01 3.94 -3.303114325e-01 -3.303114325e-01 3.96 -2.923542064e-01 -2.923542064e-01 3.98 -2.579944490e-01 -2.579944490e-01 4.00 -2.270392349e-01 -2.270392349e-01 4.02 -1.992805072e-01 -1.992805072e-01 4.04 -1.744988301e-01 -1.744988301e-01 4.06 -1.524678531e-01 -1.524678531e-01 4.08 -1.329590004e-01 -1.329590004e-01 4.10 -1.157458340e-01 -1.157458340e-01 4.12 -1.006076805e-01 -1.006076805e-01 4.14 -8.733408538e-02 -8.733408538e-02 4.16 -7.572657168e-02 -7.572657168e-02 4.18 -6.559999389e-02 -6.559999389e-02 4.20 -5.678364381e-02 -5.678364381e-02 4.22 -4.912170822e-02 -4.912170822e-02 4.24 -4.247321241e-02 -4.247321241e-02 4.26 -3.671157616e-02 -3.671157616e-02 4.28 -3.172389139e-02 -3.172389139e-02 4.30 -2.741001987e-02 -2.741001987e-02 4.32 -2.368158792e-02 -2.368158792e-02 4.34 -2.046092257e-02 -2.046092257e-02 4.36 -1.767961490e-02 -1.767961490e-02 4.38 -1.527846706e-02 -1.527846706e-02 4.40 -1.320609512e-02 -1.320609512e-02 4.42 -1.141774927e-02 -1.141774927e-02 4.44 -9.874566786e-03 -9.874566786e-03 4.46 -8.542872764e-03 -8.542872764e-03 4.48 -7.393538838e-03 -7.393538838e-03 4.50 -6.401404119e-03 -6.401404119e-03 4.52 -5.544758073e-03 -5.544758073e-03 4.54 -4.804882675e-03 -4.804882675e-03 4.56 -4.165649743e-03 -4.165649743e-03 4.58 -3.613168618e-03 -3.613168618e-03 4.60 -3.135479173e-03 -3.135479173e-03 4.62 -2.722285203e-03 -2.722285203e-03 4.64 -2.364723458e-03 -2.364723458e-03 4.66 -2.055164009e-03 -2.055164009e-03 4.68 -1.787037949e-03 -1.787037949e-03 4.70 -1.554688909e-03 -1.554688909e-03 4.72 -1.353245211e-03 -1.353245211e-03 4.74 -1.178509894e-03 -1.178509894e-03 4.76 -1.026866151e-03 -1.026866151e-03 4.78 -8.951960758e-04 -8.951960758e-04 4.80 -7.808107739e-04 -7.808107739e-04 4.82 -6.813907028e-04 -6.813907028e-04 4.84 -5.949336964e-04 -5.949336964e-04 4.86 -5.197110531e-04 -5.197110531e-04 4.88 -4.542294533e-04 -4.542294533e-04 4.90 -3.971983154e-04 -3.971983154e-04 4.92 -3.475017463e-04 -3.475017463e-04 4.94 -3.041744338e-04 -3.041744338e-04 4.96 -2.663809205e-04 -2.663809205e-04 4.98 -2.333977799e-04 -2.333977799e-04 5.00 -2.045982830e-04 -2.045982830e-04 5.02 -1.794392015e-04 -1.794392015e-04 5.04 -1.574494468e-04 -1.574494468e-04 5.06 -1.382202841e-04 -1.382202841e-04 5.08 -1.213969003e-04 -1.213969003e-04 5.10 -1.066711353e-04 -1.066711353e-04 5.12 -9.377521300e-05 -9.377521300e-05 5.14 -8.247633159e-05 -8.247633159e-05 5.16 -7.257199421e-05 -7.257199421e-05 5.18 -6.388597586e-05 -6.388597586e-05 5.20 -5.626483842e-05 -5.626483842e-05 5.22 -4.957491791e-05 -4.957491791e-05 5.24 -4.369971860e-05 -4.369971860e-05 5.26 -3.853765804e-05 -3.853765804e-05 5.28 -3.400011463e-05 -3.400011463e-05 5.30 -3.000973646e-05 -3.000973646e-05 5.32 -2.649897560e-05 -2.649897560e-05 5.34 -2.340881725e-05 -2.340881725e-05 5.36 -2.068767723e-05 -2.068767723e-05 5.38 -1.829044509e-05 -1.829044509e-05 5.40 -1.617765316e-05 -1.617765316e-05 5.42 -1.431475459e-05 -1.431475459e-05 5.44 -1.267149591e-05 -1.267149591e-05 5.46 -1.122137127e-05 -1.122137127e-05 5.48 -9.941147626e-06 -9.941147626e-06 5.50 -8.810451482e-06 -8.810451482e-06 5.52 -7.811408892e-06 -7.811408892e-06 5.54 -6.928331849e-06 -6.928331849e-06 5.56 -6.147444871e-06 -6.147444871e-06 5.58 -5.456646560e-06 -5.456646560e-06 5.60 -4.845301541e-06 -4.845301541e-06 5.62 -4.304058840e-06 -4.304058840e-06 5.64 -3.824693263e-06 -3.824693263e-06 5.66 -3.399966796e-06 -3.399966796e-06 5.68 -3.023507454e-06 -3.023507454e-06 5.70 -2.689703324e-06 -2.689703324e-06 5.72 -2.393609858e-06 -2.393609858e-06 5.74 -2.130868727e-06 -2.130868727e-06 5.76 -1.897636759e-06 -1.897636759e-06 5.78 -1.690523682e-06 -1.690523682e-06 5.80 -1.506537555e-06 -1.506537555e-06 5.82 -1.343036921e-06 -1.343036921e-06 5.84 -1.197688833e-06 -1.197688833e-06 5.86 -1.068432021e-06 -1.068432021e-06 5.88 -9.534445449e-07 -9.534445449e-07 5.90 -8.511153941e-07 -8.511153941e-07 5.92 -7.600195217e-07 -7.600195217e-07 5.94 -6.788959037e-07 -6.788959037e-07 5.96 -6.066282424e-07 -6.066282424e-07 5.98 -5.422279884e-07 -5.422279884e-07 6.00 -4.848193994e-07 -4.848193994e-07