# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2014--Bonny-G-Grigorev-P-Terentyev-D--W-H-He-2 # implementation = 2014--Bonny-G--W-H-He-2--LAMMPS--ipr1 # composition = HHe2W # 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 2022-05-24 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 9.630537916e+01 9.630537916e+01 1.00 8.778808540e+01 8.778808540e+01 1.02 7.994253165e+01 7.994253165e+01 1.04 7.269301598e+01 7.269301598e+01 1.06 6.596749992e+01 6.596749992e+01 1.08 5.969962165e+01 5.969962165e+01 1.10 5.386113114e+01 5.386113114e+01 1.12 4.842024188e+01 4.842024188e+01 1.14 4.334627049e+01 4.334627049e+01 1.16 3.864313330e+01 3.864313330e+01 1.18 3.428141113e+01 3.428141113e+01 1.20 3.023734986e+01 3.023734986e+01 1.22 2.649524321e+01 2.649524321e+01 1.24 2.304873446e+01 2.304873446e+01 1.26 1.991455220e+01 1.991455220e+01 1.28 1.706618294e+01 1.706618294e+01 1.30 1.447876091e+01 1.447876091e+01 1.32 1.213402426e+01 1.213402426e+01 1.34 1.001160783e+01 1.001160783e+01 1.36 8.090465306e+00 8.090465306e+00 1.38 6.355438048e+00 6.355438048e+00 1.40 4.797285740e+00 4.797285740e+00 1.42 3.408077231e+00 3.408077231e+00 1.44 2.177783873e+00 2.177783873e+00 1.46 1.095554969e+00 1.095554969e+00 1.48 1.492993330e-01 1.492993330e-01 1.50 -6.764074381e-01 -6.764074381e-01 1.52 -1.403500971e+00 -1.403500971e+00 1.54 -2.046708343e+00 -2.046708343e+00 1.56 -2.616809163e+00 -2.616809163e+00 1.58 -3.121646924e+00 -3.121646924e+00 1.60 -3.555100258e+00 -3.555100258e+00 1.62 -3.896955090e+00 -3.896955090e+00 1.64 -4.153053309e+00 -4.153053309e+00 1.66 -4.356741206e+00 -4.356741206e+00 1.68 -4.529817096e+00 -4.529817096e+00 1.70 -4.681770562e+00 -4.681770562e+00 1.72 -4.820203340e+00 -4.820203340e+00 1.74 -4.952044693e+00 -4.952044693e+00 1.76 -5.071892269e+00 -5.071892269e+00 1.78 -5.174632919e+00 -5.174632919e+00 1.80 -5.259514061e+00 -5.259514061e+00 1.82 -5.326385641e+00 -5.326385641e+00 1.84 -5.376630455e+00 -5.376630455e+00 1.86 -5.410608064e+00 -5.410608064e+00 1.88 -5.428003473e+00 -5.428003473e+00 1.90 -5.428473991e+00 -5.428473991e+00 1.92 -5.412207783e+00 -5.412207783e+00 1.94 -5.382696055e+00 -5.382696055e+00 1.96 -5.344020880e+00 -5.344020880e+00 1.98 -5.298168954e+00 -5.298168954e+00 2.00 -5.247062300e+00 -5.247062300e+00 2.02 -5.192399587e+00 -5.192399587e+00 2.04 -5.134835813e+00 -5.134835813e+00 2.06 -5.074925939e+00 -5.074925939e+00 2.08 -5.013527022e+00 -5.013527022e+00 2.10 -4.951608829e+00 -4.951608829e+00 2.12 -4.890234134e+00 -4.890234134e+00 2.14 -4.830425903e+00 -4.830425903e+00 2.16 -4.772800296e+00 -4.772800296e+00 2.18 -4.717807308e+00 -4.717807308e+00 2.20 -4.664954141e+00 -4.664954141e+00 2.22 -4.613384689e+00 -4.613384689e+00 2.24 -4.562658711e+00 -4.562658711e+00 2.26 -4.512468027e+00 -4.512468027e+00 2.28 -4.462490083e+00 -4.462490083e+00 2.30 -4.412390961e+00 -4.412390961e+00 2.32 -4.362034849e+00 -4.362034849e+00 2.34 -4.311573651e+00 -4.311573651e+00 2.36 -4.261295410e+00 -4.261295410e+00 2.38 -4.211746534e+00 -4.211746534e+00 2.40 -4.162856267e+00 -4.162856267e+00 2.42 -4.114310495e+00 -4.114310495e+00 2.44 -4.065771068e+00 -4.065771068e+00 2.46 -4.016878261e+00 -4.016878261e+00 2.48 -3.967303570e+00 -3.967303570e+00 2.50 -3.916755145e+00 -3.916755145e+00 2.52 -3.864933778e+00 -3.864933778e+00 2.54 -3.811549047e+00 -3.811549047e+00 2.56 -3.756299559e+00 -3.756299559e+00 2.58 -3.698970308e+00 -3.698970308e+00 2.60 -3.639617511e+00 -3.639617511e+00 2.62 -3.578326896e+00 -3.578326896e+00 2.64 -3.515161657e+00 -3.515161657e+00 2.66 -3.450163050e+00 -3.450163050e+00 2.68 -3.383343158e+00 -3.383343158e+00 2.70 -3.314760407e+00 -3.314760407e+00 2.72 -3.244489106e+00 -3.244489106e+00 2.74 -3.173423566e+00 -3.173423566e+00 2.76 -3.099532794e+00 -3.099532794e+00 2.78 -3.027743217e+00 -3.027743217e+00 2.80 -2.957753396e+00 -2.957753396e+00 2.82 -2.882040109e+00 -2.882040109e+00 2.84 -2.800884776e+00 -2.800884776e+00 2.86 -2.716031797e+00 -2.716031797e+00 2.88 -2.634214849e+00 -2.634214849e+00 2.90 -2.559877408e+00 -2.559877408e+00 2.92 -2.493213769e+00 -2.493213769e+00 2.94 -2.433001498e+00 -2.433001498e+00 2.96 -2.377807828e+00 -2.377807828e+00 2.98 -2.326340157e+00 -2.326340157e+00 3.00 -2.277437118e+00 -2.277437118e+00 3.02 -2.230060565e+00 -2.230060565e+00 3.04 -2.183723925e+00 -2.183723925e+00 3.06 -2.138149194e+00 -2.138149194e+00 3.08 -2.093083402e+00 -2.093083402e+00 3.10 -2.048275062e+00 -2.048275062e+00 3.12 -2.003472889e+00 -2.003472889e+00 3.14 -1.958481704e+00 -1.958481704e+00 3.16 -1.913246908e+00 -1.913246908e+00 3.18 -1.867735649e+00 -1.867735649e+00 3.20 -1.821915166e+00 -1.821915166e+00 3.22 -1.775752794e+00 -1.775752794e+00 3.24 -1.729215965e+00 -1.729215965e+00 3.26 -1.682272237e+00 -1.682272237e+00 3.28 -1.634889165e+00 -1.634889165e+00 3.30 -1.587030454e+00 -1.587030454e+00 3.32 -1.538673932e+00 -1.538673932e+00 3.34 -1.490074943e+00 -1.490074943e+00 3.36 -1.441660200e+00 -1.441660200e+00 3.38 -1.393586812e+00 -1.393586812e+00 3.40 -1.345891851e+00 -1.345891851e+00 3.42 -1.298612071e+00 -1.298612071e+00 3.44 -1.251784515e+00 -1.251784515e+00 3.46 -1.205446366e+00 -1.205446366e+00 3.48 -1.159635080e+00 -1.159635080e+00 3.50 -1.114388472e+00 -1.114388472e+00 3.52 -1.069739556e+00 -1.069739556e+00 3.54 -1.025701731e+00 -1.025701731e+00 3.56 -9.822839984e-01 -9.822839984e-01 3.58 -9.394955921e-01 -9.394955921e-01 3.60 -8.973463471e-01 -8.973463471e-01 3.62 -8.558449156e-01 -8.558449156e-01 3.64 -8.150056452e-01 -8.150056452e-01 3.66 -7.748324724e-01 -7.748324724e-01 3.68 -7.353336482e-01 -7.353336482e-01 3.70 -6.965935175e-01 -6.965935175e-01 3.72 -6.584296913e-01 -6.584296913e-01 3.74 -6.209781729e-01 -6.209781729e-01 3.76 -5.844510780e-01 -5.844510780e-01 3.78 -5.493504472e-01 -5.493504472e-01 3.80 -5.135576435e-01 -5.135576435e-01 3.82 -4.762923935e-01 -4.762923935e-01 3.84 -4.435933914e-01 -4.435933914e-01 3.86 -4.163230594e-01 -4.163230594e-01 3.88 -3.886132663e-01 -3.886132663e-01 3.90 -3.576044422e-01 -3.576044422e-01 3.92 -3.239699277e-01 -3.239699277e-01 3.94 -2.873046434e-01 -2.873046434e-01 3.96 -2.481720028e-01 -2.481720028e-01 3.98 -2.069215879e-01 -2.069215879e-01 4.00 -1.661478175e-01 -1.661478175e-01 4.02 -1.290447984e-01 -1.290447984e-01 4.04 -9.707120910e-02 -9.707120910e-02 4.06 -7.062040339e-02 -7.062040339e-02 4.08 -4.948084867e-02 -4.948084867e-02 4.10 -3.313554792e-02 -3.313554792e-02 4.12 -2.094439383e-02 -2.094439383e-02 4.14 -1.224484209e-02 -1.224484209e-02 4.16 -6.398662998e-03 -6.398662998e-03 4.18 -2.805835544e-03 -2.805835544e-03 4.20 -9.008855007e-04 -9.008855007e-04 4.22 -1.421404436e-04 -1.421404436e-04 4.24 -4.779517623e-07 -4.779517623e-07 4.26 0.000000000e+00 0.000000000e+00 4.28 0.000000000e+00 0.000000000e+00 4.30 0.000000000e+00 0.000000000e+00 4.32 0.000000000e+00 0.000000000e+00 4.34 0.000000000e+00 0.000000000e+00 4.36 0.000000000e+00 0.000000000e+00 4.38 0.000000000e+00 0.000000000e+00 4.40 0.000000000e+00 0.000000000e+00 4.42 0.000000000e+00 0.000000000e+00 4.44 0.000000000e+00 0.000000000e+00 4.46 0.000000000e+00 0.000000000e+00 4.48 0.000000000e+00 0.000000000e+00 4.50 0.000000000e+00 0.000000000e+00 4.52 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00