# 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 = FePbW2 # 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 4.392914996e+02 4.392914996e+02 1.30 4.067745149e+02 4.067745149e+02 1.32 3.767324068e+02 3.767324068e+02 1.34 3.489523644e+02 3.489523644e+02 1.36 3.232418201e+02 3.232418201e+02 1.38 2.994284438e+02 2.994284438e+02 1.40 2.773594426e+02 2.773594426e+02 1.42 2.568993134e+02 2.568993134e+02 1.44 2.379265944e+02 2.379265944e+02 1.46 2.203307698e+02 2.203307698e+02 1.48 2.040101325e+02 2.040101325e+02 1.50 1.888706613e+02 1.888706613e+02 1.52 1.748255128e+02 1.748255128e+02 1.54 1.617946364e+02 1.617946364e+02 1.56 1.497042539e+02 1.497042539e+02 1.58 1.384862212e+02 1.384862212e+02 1.60 1.280773603e+02 1.280773603e+02 1.62 1.184188451e+02 1.184188451e+02 1.64 1.094556311e+02 1.094556311e+02 1.66 1.011359635e+02 1.011359635e+02 1.68 9.341099277e+01 9.341099277e+01 1.70 8.623463391e+01 8.623463391e+01 1.72 7.956373125e+01 7.956373125e+01 1.74 7.335849905e+01 7.335849905e+01 1.76 6.758302751e+01 6.758302751e+01 1.78 6.220558145e+01 6.220558145e+01 1.80 5.719849148e+01 5.719849148e+01 1.82 5.253779017e+01 5.253779017e+01 1.84 4.820327261e+01 4.820327261e+01 1.86 4.417557698e+01 4.417557698e+01 1.88 4.043623623e+01 4.043623623e+01 1.90 3.697159527e+01 3.697159527e+01 1.92 3.376771849e+01 3.376771849e+01 1.94 3.080652941e+01 3.080652941e+01 1.96 2.807060854e+01 2.807060854e+01 1.98 2.554327944e+01 2.554327944e+01 2.00 2.320866715e+01 2.320866715e+01 2.02 2.105172789e+01 2.105172789e+01 2.04 1.905825381e+01 1.905825381e+01 2.06 1.721486616e+01 1.721486616e+01 2.08 1.550900833e+01 1.550900833e+01 2.10 1.392895347e+01 1.392895347e+01 2.12 1.246383401e+01 1.246383401e+01 2.14 1.110368901e+01 1.110368901e+01 2.16 9.839518464e+00 9.839518464e+00 2.18 8.663318109e+00 8.663318109e+00 2.20 7.568067112e+00 7.568067112e+00 2.22 6.547664496e+00 6.547664496e+00 2.24 5.596817147e+00 5.596817147e+00 2.26 4.710901838e+00 4.710901838e+00 2.28 3.885820297e+00 3.885820297e+00 2.30 3.117875585e+00 3.117875585e+00 2.32 2.403662575e+00 2.403662575e+00 2.34 1.740000592e+00 1.740000592e+00 2.36 1.123882003e+00 1.123882003e+00 2.38 5.524488753e-01 5.524488753e-01 2.40 2.298452651e-02 2.298452651e-02 2.42 -4.670710638e-01 -4.670710638e-01 2.44 -9.199756828e-01 -9.199756828e-01 2.46 -1.338109330e+00 -1.338109330e+00 2.48 -1.723761021e+00 -1.723761021e+00 2.50 -2.079032965e+00 -2.079032965e+00 2.52 -2.405851889e+00 -2.405851889e+00 2.54 -2.705981923e+00 -2.705981923e+00 2.56 -2.981037951e+00 -2.981037951e+00 2.58 -3.232471889e+00 -3.232471889e+00 2.60 -3.461212191e+00 -3.461212191e+00 2.62 -3.667848818e+00 -3.667848818e+00 2.64 -3.852996482e+00 -3.852996482e+00 2.66 -4.017287286e+00 -4.017287286e+00 2.68 -4.161364860e+00 -4.161364860e+00 2.70 -4.285877174e+00 -4.285877174e+00 2.72 -4.391471923e+00 -4.391471923e+00 2.74 -4.478793292e+00 -4.478793292e+00 2.76 -4.548480575e+00 -4.548480575e+00 2.78 -4.601169631e+00 -4.601169631e+00 2.80 -4.637498493e+00 -4.637498493e+00 2.82 -4.658117522e+00 -4.658117522e+00 2.84 -4.663704563e+00 -4.663704563e+00 2.86 -4.654983653e+00 -4.654983653e+00 2.88 -4.632745216e+00 -4.632745216e+00 2.90 -4.597864663e+00 -4.597864663e+00 2.92 -4.551315864e+00 -4.551315864e+00 2.94 -4.494176059e+00 -4.494176059e+00 2.96 -4.427619479e+00 -4.427619479e+00 2.98 -4.352899614e+00 -4.352899614e+00 3.00 -4.271317903e+00 -4.271317903e+00 3.02 -4.184175391e+00 -4.184175391e+00 3.04 -4.092734305e+00 -4.092734305e+00 3.06 -3.998175411e+00 -3.998175411e+00 3.08 -3.901556985e+00 -3.901556985e+00 3.10 -3.803790091e+00 -3.803790091e+00 3.12 -3.705624265e+00 -3.705624265e+00 3.14 -3.607632576e+00 -3.607632576e+00 3.16 -3.510097826e+00 -3.510097826e+00 3.18 -3.413134122e+00 -3.413134122e+00 3.20 -3.316770114e+00 -3.316770114e+00 3.22 -3.220969286e+00 -3.220969286e+00 3.24 -3.125648492e+00 -3.125648492e+00 3.26 -3.030694184e+00 -3.030694184e+00 3.28 -2.935976541e+00 -2.935976541e+00 3.30 -2.841411924e+00 -2.841411924e+00 3.32 -2.746859229e+00 -2.746859229e+00 3.34 -2.652069548e+00 -2.652069548e+00 3.36 -2.556853012e+00 -2.556853012e+00 3.38 -2.461096792e+00 -2.461096792e+00 3.40 -2.364736595e+00 -2.364736595e+00 3.42 -2.267758942e+00 -2.267758942e+00 3.44 -2.170282166e+00 -2.170282166e+00 3.46 -2.072565336e+00 -2.072565336e+00 3.48 -1.974999294e+00 -1.974999294e+00 3.50 -1.878085880e+00 -1.878085880e+00 3.52 -1.782406611e+00 -1.782406611e+00 3.54 -1.688584051e+00 -1.688584051e+00 3.56 -1.597240389e+00 -1.597240389e+00 3.58 -1.508958040e+00 -1.508958040e+00 3.60 -1.424246520e+00 -1.424246520e+00 3.62 -1.343518534e+00 -1.343518534e+00 3.64 -1.267076555e+00 -1.267076555e+00 3.66 -1.195109569e+00 -1.195109569e+00 3.68 -1.127698402e+00 -1.127698402e+00 3.70 -1.064827318e+00 -1.064827318e+00 3.72 -1.006399375e+00 -1.006399375e+00 3.74 -9.522532740e-01 -9.522532740e-01 3.76 -9.021798988e-01 -9.021798988e-01 3.78 -8.559373942e-01 -8.559373942e-01 3.80 -8.132641502e-01 -8.132641502e-01 3.82 -7.738895174e-01 -7.738895174e-01 3.84 -7.375423450e-01 -7.375423450e-01 3.86 -7.039575730e-01 -7.039575730e-01 3.88 -6.728811442e-01 -6.728811442e-01 3.90 -6.440734889e-01 -6.440734889e-01 3.92 -6.173113391e-01 -6.173113391e-01 3.94 -5.923909546e-01 -5.923909546e-01 3.96 -5.691254978e-01 -5.691254978e-01 3.98 -5.473470008e-01 -5.473470008e-01 4.00 -5.269050900e-01 -5.269050900e-01 4.02 -5.076659627e-01 -5.076659627e-01 4.04 -4.895111415e-01 -4.895111415e-01 4.06 -4.723360974e-01 -4.723360974e-01 4.08 -4.560488537e-01 -4.560488537e-01 4.10 -4.405671086e-01 -4.405671086e-01 4.12 -4.258224671e-01 -4.258224671e-01 4.14 -4.117512294e-01 -4.117512294e-01 4.16 -3.982992713e-01 -3.982992713e-01 4.18 -3.854187731e-01 -3.854187731e-01 4.20 -3.730674910e-01 -3.730674910e-01 4.22 -3.612080686e-01 -3.612080686e-01 4.24 -3.498074079e-01 -3.498074079e-01 4.26 -3.388361059e-01 -3.388361059e-01 4.28 -3.282679590e-01 -3.282679590e-01 4.30 -3.180795303e-01 -3.180795303e-01 4.32 -3.082497741e-01 -3.082497741e-01 4.34 -2.987597125e-01 -2.987597125e-01 4.36 -2.895921569e-01 -2.895921569e-01 4.38 -2.807314693e-01 -2.807314693e-01 4.40 -2.721633576e-01 -2.721633576e-01 4.42 -2.638747002e-01 -2.638747002e-01 4.44 -2.558533957e-01 -2.558533957e-01 4.46 -2.480882345e-01 -2.480882345e-01 4.48 -2.405687880e-01 -2.405687880e-01 4.50 -2.332853140e-01 -2.332853140e-01 4.52 -2.262286750e-01 -2.262286750e-01 4.54 -2.193902679e-01 -2.193902679e-01 4.56 -2.127619629e-01 -2.127619629e-01 4.58 -2.063360511e-01 -2.063360511e-01 4.60 -2.001051984e-01 -2.001051984e-01 4.62 -1.940624056e-01 -1.940624056e-01 4.64 -1.882009733e-01 -1.882009733e-01 4.66 -1.825144713e-01 -1.825144713e-01 4.68 -1.769967117e-01 -1.769967117e-01 4.70 -1.716417253e-01 -1.716417253e-01 4.72 -1.664437405e-01 -1.664437405e-01 4.74 -1.613971655e-01 -1.613971655e-01 4.76 -1.564965725e-01 -1.564965725e-01 4.78 -1.517366848e-01 -1.517366848e-01 4.80 -1.471115697e-01 -1.471115697e-01 4.82 -1.426179402e-01 -1.426179402e-01 4.84 -1.382499724e-01 -1.382499724e-01 4.86 -1.340029121e-01 -1.340029121e-01 4.88 -1.298721271e-01 -1.298721271e-01 4.90 -1.258531100e-01 -1.258531100e-01 4.92 -1.219414859e-01 -1.219414859e-01 4.94 -1.181330230e-01 -1.181330230e-01 4.96 -1.144236481e-01 -1.144236481e-01 4.98 -1.108094669e-01 -1.108094669e-01 5.00 -1.072867880e-01 -1.072867880e-01 5.02 -1.038521517e-01 -1.038521517e-01 5.04 -1.005023622e-01 -1.005023622e-01 5.06 -9.723452258e-02 -9.723452258e-02 5.08 -9.404606956e-02 -9.404606956e-02 5.10 -9.093480769e-02 -9.093480769e-02 5.12 -8.789893871e-02 -8.789893871e-02 5.14 -8.493708284e-02 -8.493708284e-02 5.16 -8.204828854e-02 -8.204828854e-02 5.18 -7.923202672e-02 -7.923202672e-02 5.20 -7.648816647e-02 -7.648816647e-02 5.22 -7.381693004e-02 -7.381693004e-02 5.24 -7.121882656e-02 -7.121882656e-02 5.26 -6.869454073e-02 -6.869454073e-02 5.28 -6.624473224e-02 -6.624473224e-02 5.30 -6.387023302e-02 -6.387023302e-02 5.32 -6.157177265e-02 -6.157177265e-02 5.34 -5.934982830e-02 -5.934982830e-02 5.36 -5.720452735e-02 -5.720452735e-02 5.38 -5.513557090e-02 -5.513557090e-02 5.40 -5.314218321e-02 -5.314218321e-02 5.42 -5.122308923e-02 -5.122308923e-02 5.44 -4.937651987e-02 -4.937651987e-02 5.46 -4.760024192e-02 -4.760024192e-02 5.48 -4.589160798e-02 -4.589160798e-02 5.50 -4.424762064e-02 -4.424762064e-02 5.52 -4.266500473e-02 -4.266500473e-02 5.54 -4.114028237e-02 -4.114028237e-02 5.56 -3.966984587e-02 -3.966984587e-02 5.58 -3.825002541e-02 -3.825002541e-02 5.60 -3.687714905e-02 -3.687714905e-02 5.62 -3.554759427e-02 -3.554759427e-02 5.64 -3.425783086e-02 -3.425783086e-02 5.66 -3.300445603e-02 -3.300445603e-02 5.68 -3.178422284e-02 -3.178422284e-02 5.70 -3.059406337e-02 -3.059406337e-02 5.72 -2.943110811e-02 -2.943110811e-02 5.74 -2.829270303e-02 -2.829270303e-02 5.76 -2.717642548e-02 -2.717642548e-02 5.78 -2.608010008e-02 -2.608010008e-02 5.80 -2.500181493e-02 -2.500181493e-02 5.82 -2.393993873e-02 -2.393993873e-02 5.84 -2.289313838e-02 -2.289313838e-02 5.86 -2.186039682e-02 -2.186039682e-02 5.88 -2.084102991e-02 -2.084102991e-02 5.90 -1.983470115e-02 -1.983470115e-02 5.92 -1.884143267e-02 -1.884143267e-02 5.94 -1.786159626e-02 -1.786159626e-02 5.96 -1.689586018e-02 -1.689586018e-02 5.98 -1.594532820e-02 -1.594532820e-02 6.00 -1.501144598e-02 -1.501144598e-02