# 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 = Fe2TaTi # 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 2.548464615e+02 2.548464615e+02 1.30 2.339853188e+02 2.339853188e+02 1.32 2.147865629e+02 2.147865629e+02 1.34 1.971039842e+02 1.971039842e+02 1.36 1.808092996e+02 1.808092996e+02 1.38 1.657899545e+02 1.657899545e+02 1.40 1.519461120e+02 1.519461120e+02 1.42 1.391878986e+02 1.391878986e+02 1.44 1.274334341e+02 1.274334341e+02 1.46 1.166074345e+02 1.166074345e+02 1.48 1.066398982e+02 1.066398982e+02 1.50 9.746485942e+01 9.746485942e+01 1.52 8.901961107e+01 8.901961107e+01 1.54 8.124465738e+01 8.124465738e+01 1.56 7.408424800e+01 7.408424800e+01 1.58 6.748703464e+01 6.748703464e+01 1.60 6.140639733e+01 6.140639733e+01 1.62 5.580031464e+01 5.580031464e+01 1.64 5.063093209e+01 5.063093209e+01 1.66 4.586401264e+01 4.586401264e+01 1.68 4.146838807e+01 4.146838807e+01 1.70 3.741550438e+01 3.741550438e+01 1.72 3.367912372e+01 3.367912372e+01 1.74 3.023516875e+01 3.023516875e+01 1.76 2.706225077e+01 2.706225077e+01 1.78 2.414490390e+01 2.414490390e+01 1.80 2.146512953e+01 2.146512953e+01 1.82 1.900541775e+01 1.900541775e+01 1.84 1.674940072e+01 1.674940072e+01 1.86 1.468209146e+01 1.468209146e+01 1.88 1.278953080e+01 1.278953080e+01 1.90 1.105852606e+01 1.105852606e+01 1.92 9.476459780e+00 9.476459780e+00 1.94 8.031169288e+00 8.031169288e+00 1.96 6.710923102e+00 6.710923102e+00 1.98 5.504494813e+00 5.504494813e+00 2.00 4.401303677e+00 4.401303677e+00 2.02 3.391580767e+00 3.391580767e+00 2.04 2.466524389e+00 2.466524389e+00 2.06 1.618410553e+00 1.618410553e+00 2.08 8.406261843e-01 8.406261843e-01 2.10 1.276069179e-01 1.276069179e-01 2.12 -5.253115454e-01 -5.253115454e-01 2.14 -1.122093550e+00 -1.122093550e+00 2.16 -1.666208858e+00 -1.666208858e+00 2.18 -2.160807948e+00 -2.160807948e+00 2.20 -2.608852517e+00 -2.608852517e+00 2.22 -3.013204375e+00 -3.013204375e+00 2.24 -3.376681630e+00 -3.376681630e+00 2.26 -3.702089437e+00 -3.702089437e+00 2.28 -3.992228884e+00 -3.992228884e+00 2.30 -4.249885582e+00 -4.249885582e+00 2.32 -4.477801943e+00 -4.477801943e+00 2.34 -4.678636825e+00 -4.678636825e+00 2.36 -4.854920625e+00 -4.854920625e+00 2.38 -5.008988448e+00 -5.008988448e+00 2.40 -5.142859973e+00 -5.142859973e+00 2.42 -5.258660397e+00 -5.258660397e+00 2.44 -5.358301697e+00 -5.358301697e+00 2.46 -5.443424859e+00 -5.443424859e+00 2.48 -5.515435317e+00 -5.515435317e+00 2.50 -5.575538580e+00 -5.575538580e+00 2.52 -5.624572428e+00 -5.624572428e+00 2.54 -5.663087780e+00 -5.663087780e+00 2.56 -5.691675622e+00 -5.691675622e+00 2.58 -5.710956690e+00 -5.710956690e+00 2.60 -5.721556471e+00 -5.721556471e+00 2.62 -5.724137592e+00 -5.724137592e+00 2.64 -5.719266290e+00 -5.719266290e+00 2.66 -5.707424184e+00 -5.707424184e+00 2.68 -5.689066193e+00 -5.689066193e+00 2.70 -5.664613827e+00 -5.664613827e+00 2.72 -5.634451596e+00 -5.634451596e+00 2.74 -5.598926251e+00 -5.598926251e+00 2.76 -5.558340067e+00 -5.558340067e+00 2.78 -5.512866390e+00 -5.512866390e+00 2.80 -5.462612508e+00 -5.462612508e+00 2.82 -5.407697972e+00 -5.407697972e+00 2.84 -5.348258156e+00 -5.348258156e+00 2.86 -5.284452843e+00 -5.284452843e+00 2.88 -5.216454298e+00 -5.216454298e+00 2.90 -5.144447730e+00 -5.144447730e+00 2.92 -5.068639138e+00 -5.068639138e+00 2.94 -4.989249602e+00 -4.989249602e+00 2.96 -4.906508489e+00 -4.906508489e+00 2.98 -4.820646820e+00 -4.820646820e+00 3.00 -4.731891581e+00 -4.731891581e+00 3.02 -4.640432177e+00 -4.640432177e+00 3.04 -4.546277084e+00 -4.546277084e+00 3.06 -4.449405564e+00 -4.449405564e+00 3.08 -4.349838861e+00 -4.349838861e+00 3.10 -4.247632039e+00 -4.247632039e+00 3.12 -4.142870954e+00 -4.142870954e+00 3.14 -4.035675485e+00 -4.035675485e+00 3.16 -3.926207522e+00 -3.926207522e+00 3.18 -3.814682302e+00 -3.814682302e+00 3.20 -3.701379928e+00 -3.701379928e+00 3.22 -3.586654384e+00 -3.586654384e+00 3.24 -3.470937364e+00 -3.470937364e+00 3.26 -3.354734839e+00 -3.354734839e+00 3.28 -3.238615176e+00 -3.238615176e+00 3.30 -3.123188876e+00 -3.123188876e+00 3.32 -3.009081304e+00 -3.009081304e+00 3.34 -2.896901136e+00 -2.896901136e+00 3.36 -2.787208114e+00 -2.787208114e+00 3.38 -2.680484011e+00 -2.680484011e+00 3.40 -2.577110226e+00 -2.577110226e+00 3.42 -2.477354470e+00 -2.477354470e+00 3.44 -2.381367153e+00 -2.381367153e+00 3.46 -2.289187218e+00 -2.289187218e+00 3.48 -2.200755281e+00 -2.200755281e+00 3.50 -2.115931581e+00 -2.115931581e+00 3.52 -2.034515944e+00 -2.034515944e+00 3.54 -1.956267295e+00 -1.956267295e+00 3.56 -1.880921035e+00 -1.880921035e+00 3.58 -1.808203463e+00 -1.808203463e+00 3.60 -1.737843345e+00 -1.737843345e+00 3.62 -1.669581295e+00 -1.669581295e+00 3.64 -1.603177783e+00 -1.603177783e+00 3.66 -1.538420411e+00 -1.538420411e+00 3.68 -1.475130601e+00 -1.475130601e+00 3.70 -1.413169468e+00 -1.413169468e+00 3.72 -1.352442337e+00 -1.352442337e+00 3.74 -1.292901296e+00 -1.292901296e+00 3.76 -1.234545322e+00 -1.234545322e+00 3.78 -1.177417695e+00 -1.177417695e+00 3.80 -1.121600723e+00 -1.121600723e+00 3.82 -1.067208036e+00 -1.067208036e+00 3.84 -1.014374999e+00 -1.014374999e+00 3.86 -9.632479667e-01 -9.632479667e-01 3.88 -9.139730432e-01 -9.139730432e-01 3.90 -8.666860526e-01 -8.666860526e-01 3.92 -8.215036977e-01 -8.215036977e-01 3.94 -7.785162254e-01 -7.785162254e-01 3.96 -7.377828015e-01 -7.377828015e-01 3.98 -6.993297071e-01 -6.993297071e-01 4.00 -6.631506592e-01 -6.631506592e-01 4.02 -6.292091157e-01 -6.292091157e-01 4.04 -5.974420274e-01 -5.974420274e-01 4.06 -5.677644984e-01 -5.677644984e-01 4.08 -5.400748444e-01 -5.400748444e-01 4.10 -5.142595399e-01 -5.142595399e-01 4.12 -4.901982023e-01 -4.901982023e-01 4.14 -4.677671795e-01 -4.677671795e-01 4.16 -4.468433091e-01 -4.468433091e-01 4.18 -4.273065146e-01 -4.273065146e-01 4.20 -4.090418099e-01 -4.090418099e-01 4.22 -3.919406888e-01 -3.919406888e-01 4.24 -3.759019881e-01 -3.759019881e-01 4.26 -3.608323223e-01 -3.608323223e-01 4.28 -3.466461832e-01 -3.466461832e-01 4.30 -3.332657884e-01 -3.332657884e-01 4.32 -3.206207535e-01 -3.206207535e-01 4.34 -3.086476456e-01 -3.086476456e-01 4.36 -2.972894688e-01 -2.972894688e-01 4.38 -2.864951148e-01 -2.864951148e-01 4.40 -2.762188086e-01 -2.762188086e-01 4.42 -2.664195660e-01 -2.664195660e-01 4.44 -2.570606779e-01 -2.570606779e-01 4.46 -2.481092267e-01 -2.481092267e-01 4.48 -2.395356413e-01 -2.395356413e-01 4.50 -2.313132922e-01 -2.313132922e-01 4.52 -2.234181252e-01 -2.234181252e-01 4.54 -2.158283341e-01 -2.158283341e-01 4.56 -2.085240699e-01 -2.085240699e-01 4.58 -2.014871839e-01 -2.014871839e-01 4.60 -1.947010035e-01 -1.947010035e-01 4.62 -1.881501378e-01 -1.881501378e-01 4.64 -1.818203119e-01 -1.818203119e-01 4.66 -1.756982283e-01 -1.756982283e-01 4.68 -1.697714555e-01 -1.697714555e-01 4.70 -1.640283420e-01 -1.640283420e-01 4.72 -1.584579579e-01 -1.584579579e-01 4.74 -1.530500636e-01 -1.530500636e-01 4.76 -1.477951059e-01 -1.477951059e-01 4.78 -1.426842427e-01 -1.426842427e-01 4.80 -1.377093535e-01 -1.377093535e-01 4.82 -1.328632911e-01 -1.328632911e-01 4.84 -1.281397056e-01 -1.281397056e-01 4.86 -1.235333487e-01 -1.235333487e-01 4.88 -1.190401371e-01 -1.190401371e-01 4.90 -1.146572529e-01 -1.146572529e-01 4.92 -1.103832130e-01 -1.103832130e-01 4.94 -1.062178851e-01 -1.062178851e-01 4.96 -1.021624355e-01 -1.021624355e-01 4.98 -9.821918689e-02 -9.821918689e-02 5.00 -9.439138437e-02 -9.439138437e-02 5.02 -9.068287623e-02 -9.068287623e-02 5.04 -8.709772761e-02 -8.709772761e-02 5.06 -8.363979952e-02 -8.363979952e-02 5.08 -8.031228004e-02 -8.031228004e-02 5.10 -7.711729860e-02 -7.711729860e-02 5.12 -7.405593145e-02 -7.405593145e-02 5.14 -7.112780042e-02 -7.112780042e-02 5.16 -6.833100335e-02 -6.833100335e-02 5.18 -6.566217540e-02 -6.566217540e-02 5.20 -6.311664266e-02 -6.311664266e-02 5.22 -6.068863944e-02 -6.068863944e-02 5.24 -5.837155864e-02 -5.837155864e-02 5.26 -5.615820755e-02 -5.615820755e-02 5.28 -5.404104726e-02 -5.404104726e-02 5.30 -5.201240118e-02 -5.201240118e-02 5.32 -5.006462548e-02 -5.006462548e-02 5.34 -4.819023982e-02 -4.819023982e-02 5.36 -4.638202159e-02 -4.638202159e-02 5.38 -4.463306912e-02 -4.463306912e-02 5.40 -4.293684107e-02 -4.293684107e-02 5.42 -4.128717922e-02 -4.128717922e-02 5.44 -3.967832174e-02 -3.967832174e-02 5.46 -3.810491316e-02 -3.810491316e-02 5.48 -3.656201614e-02 -3.656201614e-02 5.50 -3.504512932e-02 -3.504512932e-02 5.52 -3.355021425e-02 -3.355021425e-02 5.54 -3.207373325e-02 -3.207373325e-02 5.56 -3.061269757e-02 -3.061269757e-02 5.58 -2.916472649e-02 -2.916472649e-02 5.60 -2.772811396e-02 -2.772811396e-02 5.62 -2.630189803e-02 -2.630189803e-02 5.64 -2.488592723e-02 -2.488592723e-02 5.66 -2.348091589e-02 -2.348091589e-02 5.68 -2.208847950e-02 -2.208847950e-02 5.70 -2.071114053e-02 -2.071114053e-02 5.72 -1.935229587e-02 -1.935229587e-02 5.74 -1.801613892e-02 -1.801613892e-02 5.76 -1.670752825e-02 -1.670752825e-02 5.78 -1.543157424e-02 -1.543157424e-02 5.80 -1.419386470e-02 -1.419386470e-02 5.82 -1.300018978e-02 -1.300018978e-02 5.84 -1.185609992e-02 -1.185609992e-02 5.86 -1.076665185e-02 -1.076665185e-02 5.88 -9.736181925e-03 -9.736181925e-03 5.90 -8.768124233e-03 -8.768124233e-03 5.92 -7.864886313e-03 -7.864886313e-03 5.94 -7.027788766e-03 -7.027788766e-03 5.96 -6.257068417e-03 -6.257068417e-03 5.98 -5.551938600e-03 -5.551938600e-03 6.00 -4.910695525e-03 -4.910695525e-03