# 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 = FeW2Zr # 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 3.766339573e+02 3.766339573e+02 1.30 3.470365151e+02 3.470365151e+02 1.32 3.197760463e+02 3.197760463e+02 1.34 2.946446458e+02 2.946446458e+02 1.36 2.714513693e+02 2.714513693e+02 1.38 2.500236837e+02 2.500236837e+02 1.40 2.302088987e+02 2.302088987e+02 1.42 2.118736902e+02 2.118736902e+02 1.44 1.949017990e+02 1.949017990e+02 1.46 1.791910762e+02 1.791910762e+02 1.48 1.646506469e+02 1.646506469e+02 1.50 1.511982954e+02 1.511982954e+02 1.52 1.387583502e+02 1.387583502e+02 1.54 1.272603730e+02 1.272603730e+02 1.56 1.166386962e+02 1.166386962e+02 1.58 1.068323691e+02 1.068323691e+02 1.60 9.778485481e+01 9.778485481e+01 1.62 8.944323282e+01 8.944323282e+01 1.64 8.175720064e+01 8.175720064e+01 1.66 7.467830296e+01 7.467830296e+01 1.68 6.815961367e+01 6.815961367e+01 1.70 6.215593546e+01 6.215593546e+01 1.72 5.662421970e+01 5.662421970e+01 1.74 5.152405267e+01 5.152405267e+01 1.76 4.681803011e+01 4.681803011e+01 1.78 4.247198934e+01 4.247198934e+01 1.80 3.845504895e+01 3.845504895e+01 1.82 3.473954868e+01 3.473954868e+01 1.84 3.130087124e+01 3.130087124e+01 1.86 2.811732523e+01 2.811732523e+01 1.88 2.516998241e+01 2.516998241e+01 1.90 2.244239626e+01 2.244239626e+01 1.92 1.992012930e+01 1.992012930e+01 1.94 1.759081409e+01 1.759081409e+01 1.96 1.544360081e+01 1.544360081e+01 1.98 1.346689340e+01 1.346689340e+01 2.00 1.164921569e+01 1.164921569e+01 2.02 9.979362578e+00 9.979362578e+00 2.04 8.446389798e+00 8.446389798e+00 2.06 7.039598827e+00 7.039598827e+00 2.08 5.748574871e+00 5.748574871e+00 2.10 4.563262429e+00 4.563262429e+00 2.12 3.474088903e+00 3.474088903e+00 2.14 2.472122693e+00 2.472122693e+00 2.16 1.549245940e+00 1.549245940e+00 2.18 6.982688129e-01 6.982688129e-01 2.20 -8.703884207e-02 -8.703884207e-02 2.22 -8.120180932e-01 -8.120180932e-01 2.24 -1.481243814e+00 -1.481243814e+00 2.26 -2.098663318e+00 -2.098663318e+00 2.28 -2.667735357e+00 -2.667735357e+00 2.30 -3.191518337e+00 -3.191518337e+00 2.32 -3.672783832e+00 -3.672783832e+00 2.34 -4.114058975e+00 -4.114058975e+00 2.36 -4.517698366e+00 -4.517698366e+00 2.38 -4.885919138e+00 -4.885919138e+00 2.40 -5.220828932e+00 -5.220828932e+00 2.42 -5.524448435e+00 -5.524448435e+00 2.44 -5.798719586e+00 -5.798719586e+00 2.46 -6.045513262e+00 -6.045513262e+00 2.48 -6.266624602e+00 -6.266624602e+00 2.50 -6.463762274e+00 -6.463762274e+00 2.52 -6.638534122e+00 -6.638534122e+00 2.54 -6.792432940e+00 -6.792432940e+00 2.56 -6.926825836e+00 -6.926825836e+00 2.58 -7.042950374e+00 -7.042950374e+00 2.60 -7.141895162e+00 -7.141895162e+00 2.62 -7.224514453e+00 -7.224514453e+00 2.64 -7.291834764e+00 -7.291834764e+00 2.66 -7.344835328e+00 -7.344835328e+00 2.68 -7.384425502e+00 -7.384425502e+00 2.70 -7.411459381e+00 -7.411459381e+00 2.72 -7.426749032e+00 -7.426749032e+00 2.74 -7.431104632e+00 -7.431104632e+00 2.76 -7.425303838e+00 -7.425303838e+00 2.78 -7.409664262e+00 -7.409664262e+00 2.80 -7.384130850e+00 -7.384130850e+00 2.82 -7.348709452e+00 -7.348709452e+00 2.84 -7.303494513e+00 -7.303494513e+00 2.86 -7.248663685e+00 -7.248663685e+00 2.88 -7.184478082e+00 -7.184478082e+00 2.90 -7.111199063e+00 -7.111199063e+00 2.92 -7.029065056e+00 -7.029065056e+00 2.94 -6.938447216e+00 -6.938447216e+00 2.96 -6.839851768e+00 -6.839851768e+00 2.98 -6.733899934e+00 -6.733899934e+00 3.00 -6.621300624e+00 -6.621300624e+00 3.02 -6.502817007e+00 -6.502817007e+00 3.04 -6.379227872e+00 -6.379227872e+00 3.06 -6.251298041e+00 -6.251298041e+00 3.08 -6.119734499e+00 -6.119734499e+00 3.10 -5.985172307e+00 -5.985172307e+00 3.12 -5.848152130e+00 -5.848152130e+00 3.14 -5.709126371e+00 -5.709126371e+00 3.16 -5.568450808e+00 -5.568450808e+00 3.18 -5.426416577e+00 -5.426416577e+00 3.20 -5.283266078e+00 -5.283266078e+00 3.22 -5.139215959e+00 -5.139215959e+00 3.24 -4.994472565e+00 -4.994472565e+00 3.26 -4.849110627e+00 -4.849110627e+00 3.28 -4.703113730e+00 -4.703113730e+00 3.30 -4.556526310e+00 -4.556526310e+00 3.32 -4.409460326e+00 -4.409460326e+00 3.34 -4.262092045e+00 -4.262092045e+00 3.36 -4.114657172e+00 -4.114657172e+00 3.38 -3.967446859e+00 -3.967446859e+00 3.40 -3.820805005e+00 -3.820805005e+00 3.42 -3.675132536e+00 -3.675132536e+00 3.44 -3.530880231e+00 -3.530880231e+00 3.46 -3.388549371e+00 -3.388549371e+00 3.48 -3.248680282e+00 -3.248680282e+00 3.50 -3.111835114e+00 -3.111835114e+00 3.52 -2.978574541e+00 -2.978574541e+00 3.54 -2.849430955e+00 -2.849430955e+00 3.56 -2.724881586e+00 -2.724881586e+00 3.58 -2.605324982e+00 -2.605324982e+00 3.60 -2.491063606e+00 -2.491063606e+00 3.62 -2.382294138e+00 -2.382294138e+00 3.64 -2.279105838e+00 -2.279105838e+00 3.66 -2.181486218e+00 -2.181486218e+00 3.68 -2.089332523e+00 -2.089332523e+00 3.70 -2.002467167e+00 -2.002467167e+00 3.72 -1.920655207e+00 -1.920655207e+00 3.74 -1.843622218e+00 -1.843622218e+00 3.76 -1.771071190e+00 -1.771071190e+00 3.78 -1.702697506e+00 -1.702697506e+00 3.80 -1.638201296e+00 -1.638201296e+00 3.82 -1.577296793e+00 -1.577296793e+00 3.84 -1.519718496e+00 -1.519718496e+00 3.86 -1.465224187e+00 -1.465224187e+00 3.88 -1.413595137e+00 -1.413595137e+00 3.90 -1.364634064e+00 -1.364634064e+00 3.92 -1.318159925e+00 -1.318159925e+00 3.94 -1.274011344e+00 -1.274011344e+00 3.96 -1.232031371e+00 -1.232031371e+00 3.98 -1.192073069e+00 -1.192073069e+00 4.00 -1.153995880e+00 -1.153995880e+00 4.02 -1.117665298e+00 -1.117665298e+00 4.04 -1.082953328e+00 -1.082953328e+00 4.06 -1.049739331e+00 -1.049739331e+00 4.08 -1.017910908e+00 -1.017910908e+00 4.10 -9.873587739e-01 -9.873587739e-01 4.12 -9.580013593e-01 -9.580013593e-01 4.14 -9.297464395e-01 -9.297464395e-01 4.16 -9.025175295e-01 -9.025175295e-01 4.18 -8.762468213e-01 -8.762468213e-01 4.20 -8.508741443e-01 -8.508741443e-01 4.22 -8.263459618e-01 -8.263459618e-01 4.24 -8.026146580e-01 -8.026146580e-01 4.26 -7.796378233e-01 -7.796378233e-01 4.28 -7.573775769e-01 -7.573775769e-01 4.30 -7.357999494e-01 -7.357999494e-01 4.32 -7.148743345e-01 -7.148743345e-01 4.34 -6.945730091e-01 -6.945730091e-01 4.36 -6.748707212e-01 -6.748707212e-01 4.38 -6.557443362e-01 -6.557443362e-01 4.40 -6.371725388e-01 -6.371725388e-01 4.42 -6.191355794e-01 -6.191355794e-01 4.44 -6.016150611e-01 -6.016150611e-01 4.46 -5.845937613e-01 -5.845937613e-01 4.48 -5.680554798e-01 -5.680554798e-01 4.50 -5.519849128e-01 -5.519849128e-01 4.52 -5.363675458e-01 -5.363675458e-01 4.54 -5.211895627e-01 -5.211895627e-01 4.56 -5.064377701e-01 -5.064377701e-01 4.58 -4.920995315e-01 -4.920995315e-01 4.60 -4.781627123e-01 -4.781627123e-01 4.62 -4.646156313e-01 -4.646156313e-01 4.64 -4.514470202e-01 -4.514470202e-01 4.66 -4.386459869e-01 -4.386459869e-01 4.68 -4.262019846e-01 -4.262019846e-01 4.70 -4.141047833e-01 -4.141047833e-01 4.72 -4.023444451e-01 -4.023444451e-01 4.74 -3.909113016e-01 -3.909113016e-01 4.76 -3.797959328e-01 -3.797959328e-01 4.78 -3.689891483e-01 -3.689891483e-01 4.80 -3.584787927e-01 -3.584787927e-01 4.82 -3.482629762e-01 -3.482629762e-01 4.84 -3.383292807e-01 -3.383292807e-01 4.86 -3.286692798e-01 -3.286692798e-01 4.88 -3.192746920e-01 -3.192746920e-01 4.90 -3.101373665e-01 -3.101373665e-01 4.92 -3.012492696e-01 -3.012492696e-01 4.94 -2.926024721e-01 -2.926024721e-01 4.96 -2.841891362e-01 -2.841891362e-01 4.98 -2.760015051e-01 -2.760015051e-01 5.00 -2.680318926e-01 -2.680318926e-01 5.02 -2.602726753e-01 -2.602726753e-01 5.04 -2.527162873e-01 -2.527162873e-01 5.06 -2.453552188e-01 -2.453552188e-01 5.08 -2.381820186e-01 -2.381820186e-01 5.10 -2.311893027e-01 -2.311893027e-01 5.12 -2.243697709e-01 -2.243697709e-01 5.14 -2.177162311e-01 -2.177162311e-01 5.16 -2.112216353e-01 -2.112216353e-01 5.18 -2.048791273e-01 -2.048791273e-01 5.20 -1.986821043e-01 -1.986821043e-01 5.22 -1.926242933e-01 -1.926242933e-01 5.24 -1.866998421e-01 -1.866998421e-01 5.26 -1.809034237e-01 -1.809034237e-01 5.28 -1.752303524e-01 -1.752303524e-01 5.30 -1.696767038e-01 -1.696767038e-01 5.32 -1.642394344e-01 -1.642394344e-01 5.34 -1.589164877e-01 -1.589164877e-01 5.36 -1.537068763e-01 -1.537068763e-01 5.38 -1.486107245e-01 -1.486107245e-01 5.40 -1.436292598e-01 -1.436292598e-01 5.42 -1.387647391e-01 -1.387647391e-01 5.44 -1.340203052e-01 -1.340203052e-01 5.46 -1.293997724e-01 -1.293997724e-01 5.48 -1.249073476e-01 -1.249073476e-01 5.50 -1.205473081e-01 -1.205473081e-01 5.52 -1.163236572e-01 -1.163236572e-01 5.54 -1.122397885e-01 -1.122397885e-01 5.56 -1.082981869e-01 -1.082981869e-01 5.58 -1.045001923e-01 -1.045001923e-01 5.60 -1.008456627e-01 -1.008456627e-01 5.62 -9.733318171e-02 -9.733318171e-02 5.64 -9.396025182e-02 -9.396025182e-02 5.66 -9.072306365e-02 -9.072306365e-02 5.68 -8.761666036e-02 -8.761666036e-02 5.70 -8.463513976e-02 -8.463513976e-02 5.72 -8.177187176e-02 -8.177187176e-02 5.74 -7.901971287e-02 -7.901971287e-02 5.76 -7.637120401e-02 -7.637120401e-02 5.78 -7.381874265e-02 -7.381874265e-02 5.80 -7.135472499e-02 -7.135472499e-02 5.82 -6.897165775e-02 -6.897165775e-02 5.84 -6.666224165e-02 -6.666224165e-02 5.86 -6.441943063e-02 -6.441943063e-02 5.88 -6.223647184e-02 -6.223647184e-02 5.90 -6.010693165e-02 -6.010693165e-02 5.92 -5.802471286e-02 -5.802471286e-02 5.94 -5.598406771e-02 -5.598406771e-02 5.96 -5.397961106e-02 -5.397961106e-02 5.98 -5.200633704e-02 -5.200633704e-02 6.00 -5.005964194e-02 -5.005964194e-02