# 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 = FeNi2W # 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 1.884388759e+02 1.884388759e+02 1.30 1.722690080e+02 1.722690080e+02 1.32 1.574429396e+02 1.574429396e+02 1.34 1.438366971e+02 1.438366971e+02 1.36 1.313389839e+02 1.313389839e+02 1.38 1.198515928e+02 1.198515928e+02 1.40 1.092882000e+02 1.092882000e+02 1.42 9.957273829e+01 9.957273829e+01 1.44 9.063780981e+01 9.063780981e+01 1.46 8.242296345e+01 8.242296345e+01 1.48 7.487295924e+01 7.487295924e+01 1.50 6.793650635e+01 6.793650635e+01 1.52 6.156583997e+01 6.156583997e+01 1.54 5.571688885e+01 5.571688885e+01 1.56 5.034932907e+01 5.034932907e+01 1.58 4.542617689e+01 4.542617689e+01 1.60 4.091323781e+01 4.091323781e+01 1.62 3.677879258e+01 3.677879258e+01 1.64 3.299347169e+01 3.299347169e+01 1.66 2.953004771e+01 2.953004771e+01 1.68 2.636338851e+01 2.636338851e+01 1.70 2.346994612e+01 2.346994612e+01 1.72 2.082664641e+01 2.082664641e+01 1.74 1.841134847e+01 1.841134847e+01 1.76 1.620303451e+01 1.620303451e+01 1.78 1.418227858e+01 1.418227858e+01 1.80 1.233150375e+01 1.233150375e+01 1.82 1.063518838e+01 1.063518838e+01 1.84 9.079909663e+00 9.079909663e+00 1.86 7.654190659e+00 7.654190659e+00 1.88 6.348196403e+00 6.348196403e+00 1.90 5.153362547e+00 5.153362547e+00 1.92 4.062032314e+00 4.062032314e+00 1.94 3.067152294e+00 3.067152294e+00 1.96 2.162055218e+00 2.162055218e+00 1.98 1.340334891e+00 1.340334891e+00 2.00 5.957947197e-01 5.957947197e-01 2.02 -7.756036629e-02 -7.756036629e-02 2.04 -6.855129359e-01 -6.855129359e-01 2.06 -1.233614476e+00 -1.233614476e+00 2.08 -1.727161492e+00 -1.727161492e+00 2.10 -2.171164877e+00 -2.171164877e+00 2.12 -2.570311301e+00 -2.570311301e+00 2.14 -2.928919461e+00 -2.928919461e+00 2.16 -3.250900374e+00 -3.250900374e+00 2.18 -3.539735094e+00 -3.539735094e+00 2.20 -3.798473673e+00 -3.798473673e+00 2.22 -4.029649693e+00 -4.029649693e+00 2.24 -4.235741236e+00 -4.235741236e+00 2.26 -4.419018505e+00 -4.419018505e+00 2.28 -4.581495608e+00 -4.581495608e+00 2.30 -4.725006742e+00 -4.725006742e+00 2.32 -4.851250137e+00 -4.851250137e+00 2.34 -4.961509779e+00 -4.961509779e+00 2.36 -5.056723973e+00 -5.056723973e+00 2.38 -5.137870672e+00 -5.137870672e+00 2.40 -5.205893867e+00 -5.205893867e+00 2.42 -5.261636382e+00 -5.261636382e+00 2.44 -5.305816399e+00 -5.305816399e+00 2.46 -5.339041331e+00 -5.339041331e+00 2.48 -5.361842073e+00 -5.361842073e+00 2.50 -5.374710182e+00 -5.374710182e+00 2.52 -5.378126744e+00 -5.378126744e+00 2.54 -5.372579053e+00 -5.372579053e+00 2.56 -5.358566227e+00 -5.358566227e+00 2.58 -5.336598262e+00 -5.336598262e+00 2.60 -5.307187239e+00 -5.307187239e+00 2.62 -5.270844074e+00 -5.270844074e+00 2.64 -5.228079091e+00 -5.228079091e+00 2.66 -5.179401596e+00 -5.179401596e+00 2.68 -5.125325250e+00 -5.125325250e+00 2.70 -5.066368814e+00 -5.066368814e+00 2.72 -5.003053368e+00 -5.003053368e+00 2.74 -4.935789258e+00 -4.935789258e+00 2.76 -4.864783498e+00 -4.864783498e+00 2.78 -4.790289233e+00 -4.790289233e+00 2.80 -4.712618925e+00 -4.712618925e+00 2.82 -4.632080303e+00 -4.632080303e+00 2.84 -4.548784610e+00 -4.548784610e+00 2.86 -4.462806637e+00 -4.462806637e+00 2.88 -4.374251538e+00 -4.374251538e+00 2.90 -4.283248742e+00 -4.283248742e+00 2.92 -4.189950073e+00 -4.189950073e+00 2.94 -4.094530663e+00 -4.094530663e+00 2.96 -3.997190928e+00 -3.997190928e+00 2.98 -3.898157757e+00 -3.898157757e+00 3.00 -3.797683143e+00 -3.797683143e+00 3.02 -3.696039026e+00 -3.696039026e+00 3.04 -3.593508080e+00 -3.593508080e+00 3.06 -3.490371369e+00 -3.490371369e+00 3.08 -3.386894791e+00 -3.386894791e+00 3.10 -3.283316641e+00 -3.283316641e+00 3.12 -3.179838511e+00 -3.179838511e+00 3.14 -3.076620938e+00 -3.076620938e+00 3.16 -2.973784287e+00 -2.973784287e+00 3.18 -2.871414348e+00 -2.871414348e+00 3.20 -2.769571451e+00 -2.769571451e+00 3.22 -2.668301589e+00 -2.668301589e+00 3.24 -2.567648005e+00 -2.567648005e+00 3.26 -2.467661997e+00 -2.467661997e+00 3.28 -2.368412044e+00 -2.368412044e+00 3.30 -2.269990781e+00 -2.269990781e+00 3.32 -2.172519667e+00 -2.172519667e+00 3.34 -2.076151413e+00 -2.076151413e+00 3.36 -1.981070305e+00 -1.981070305e+00 3.38 -1.887490526e+00 -1.887490526e+00 3.40 -1.795652479e+00 -1.795652479e+00 3.42 -1.705817079e+00 -1.705817079e+00 3.44 -1.618257978e+00 -1.618257978e+00 3.46 -1.533251908e+00 -1.533251908e+00 3.48 -1.451067527e+00 -1.451067527e+00 3.50 -1.371953514e+00 -1.371953514e+00 3.52 -1.296126881e+00 -1.296126881e+00 3.54 -1.223762583e+00 -1.223762583e+00 3.56 -1.154985438e+00 -1.154985438e+00 3.58 -1.089865119e+00 -1.089865119e+00 3.60 -1.028414616e+00 -1.028414616e+00 3.62 -9.705921557e-01 -9.705921557e-01 3.64 -9.163061865e-01 -9.163061865e-01 3.66 -8.654228076e-01 -8.654228076e-01 3.68 -8.177748336e-01 -8.177748336e-01 3.70 -7.731717008e-01 -7.731717008e-01 3.72 -7.314094711e-01 -7.314094711e-01 3.74 -6.922803051e-01 -6.922803051e-01 3.76 -6.555809030e-01 -6.555809030e-01 3.78 -6.211195132e-01 -6.211195132e-01 3.80 -5.887212055e-01 -5.887212055e-01 3.82 -5.582311829e-01 -5.582311829e-01 3.84 -5.295160144e-01 -5.295160144e-01 3.86 -5.024628155e-01 -5.024628155e-01 3.88 -4.769765987e-01 -4.769765987e-01 3.90 -4.529762330e-01 -4.529762330e-01 3.92 -4.303896415e-01 -4.303896415e-01 3.94 -4.091489617e-01 -4.091489617e-01 3.96 -3.891863543e-01 -3.891863543e-01 3.98 -3.704309668e-01 -3.704309668e-01 4.00 -3.528072940e-01 -3.528072940e-01 4.02 -3.362348899e-01 -3.362348899e-01 4.04 -3.206291682e-01 -3.206291682e-01 4.06 -3.059029068e-01 -3.059029068e-01 4.08 -2.919680578e-01 -2.919680578e-01 4.10 -2.787375502e-01 -2.787375502e-01 4.12 -2.661268000e-01 -2.661268000e-01 4.14 -2.540545495e-01 -2.540545495e-01 4.16 -2.424451484e-01 -2.424451484e-01 4.18 -2.312282279e-01 -2.312282279e-01 4.20 -2.203390072e-01 -2.203390072e-01 4.22 -2.097187924e-01 -2.097187924e-01 4.24 -1.993154406e-01 -1.993154406e-01 4.26 -1.890838850e-01 -1.890838850e-01 4.28 -1.789867725e-01 -1.789867725e-01 4.30 -1.689952288e-01 -1.689952288e-01 4.32 -1.590897139e-01 -1.590897139e-01 4.34 -1.492608873e-01 -1.492608873e-01 4.36 -1.395103539e-01 -1.395103539e-01 4.38 -1.298511270e-01 -1.298511270e-01 4.40 -1.203076259e-01 -1.203076259e-01 4.42 -1.109150352e-01 -1.109150352e-01 4.44 -1.017179055e-01 -1.017179055e-01 4.46 -9.276795377e-02 -9.276795377e-02 4.48 -8.412114577e-02 -8.412114577e-02 4.50 -7.583426263e-02 -7.583426263e-02 4.52 -6.796126435e-02 -6.796126435e-02 4.54 -6.054982358e-02 -6.054982358e-02 4.56 -5.363839785e-02 -5.363839785e-02 4.58 -4.725413642e-02 -4.725413642e-02 4.60 -4.141179201e-02 -4.141179201e-02 4.62 -3.611366070e-02 -3.611366070e-02 4.64 -3.135043691e-02 -3.135043691e-02 4.66 -2.710276670e-02 -2.710276670e-02 4.68 -2.334324077e-02 -2.334324077e-02 4.70 -2.003857070e-02 -2.003857070e-02 4.72 -1.715169548e-02 -1.715169548e-02 4.74 -1.464309331e-02 -1.464309331e-02 4.76 -1.247394347e-02 -1.247394347e-02 4.78 -1.060666483e-02 -1.060666483e-02 4.80 -9.005380482e-03 -9.005380482e-03 4.82 -7.636647107e-03 -7.636647107e-03 4.84 -6.469876000e-03 -6.469876000e-03 4.86 -5.477515619e-03 -5.477515619e-03 4.88 -4.635059117e-03 -4.635059117e-03 4.90 -3.920931333e-03 -3.920931333e-03 4.92 -3.316298931e-03 -3.316298931e-03 4.94 -2.804837185e-03 -2.804837185e-03 4.96 -2.372477921e-03 -2.372477921e-03 4.98 -2.007155756e-03 -2.007155756e-03 5.00 -1.698563889e-03 -1.698563889e-03 5.02 -1.437926362e-03 -1.437926362e-03 5.04 -1.217790469e-03 -1.217790469e-03 5.06 -1.031840789e-03 -1.031840789e-03 5.08 -8.747347967e-04 -8.747347967e-04 5.10 -7.419590693e-04 -7.419590693e-04 5.12 -6.297045704e-04 -6.297045704e-04 5.14 -5.347591981e-04 -5.347591981e-04 5.16 -4.544157147e-04 -4.544157147e-04 5.18 -3.863932006e-04 -3.863932006e-04 5.20 -3.287702855e-04 -3.287702855e-04 5.22 -2.799285511e-04 -2.799285511e-04 5.24 -2.385046697e-04 -2.385046697e-04 5.26 -2.033500016e-04 -2.033500016e-04 5.28 -1.734965390e-04 -1.734965390e-04 5.30 -1.481282316e-04 -1.481282316e-04 5.32 -1.265568626e-04 -1.265568626e-04 5.34 -1.082017661e-04 -1.082017661e-04 5.36 -9.257277989e-05 -9.257277989e-05 5.38 -7.925592190e-05 -7.925592190e-05 5.40 -6.790135569e-05 -6.790135569e-05 5.42 -5.821327876e-05 -5.821327876e-05 5.44 -4.994142559e-05 -4.994142559e-05 5.46 -4.287392578e-05 -4.287392578e-05 5.48 -3.683129942e-05 -3.683129942e-05 5.50 -3.166140682e-05 -3.166140682e-05 5.52 -2.723519905e-05 -2.723519905e-05 5.54 -2.344314078e-05 -2.344314078e-05 5.56 -2.019219747e-05 -2.019219747e-05 5.58 -1.740329650e-05 -1.740329650e-05 5.60 -1.500918662e-05 -1.500918662e-05 5.62 -1.295263203e-05 -1.295263203e-05 5.64 -1.118488798e-05 -1.118488798e-05 5.66 -9.664413121e-06 -9.664413121e-06 5.68 -8.355781209e-06 -8.355781209e-06 5.70 -7.228760715e-06 -7.228760715e-06 5.72 -6.257535883e-06 -6.257535883e-06 5.74 -5.420047122e-06 -5.420047122e-06 5.76 -4.697432044e-06 -4.697432044e-06 5.78 -4.073551499e-06 -4.073551499e-06 5.80 -3.534587415e-06 -3.534587415e-06 5.82 -3.068701333e-06 -3.068701333e-06 5.84 -2.665744288e-06 -2.665744288e-06 5.86 -2.317010151e-06 -2.317010151e-06 5.88 -2.015025782e-06 -2.015025782e-06 5.90 -1.753372387e-06 -1.753372387e-06 5.92 -1.526533334e-06 -1.526533334e-06 5.94 -1.329764428e-06 -1.329764428e-06 5.96 -1.158983257e-06 -1.158983257e-06 5.98 -1.010674748e-06 -1.010674748e-06 6.00 -8.818105016e-07 -8.818105016e-07