# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2014--Bonny-G-Grigorev-P-Terentyev-D--W-H-He-1 # implementation = 2014--Bonny-G--W-H-He-1--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 1.003172307e+02 1.003172307e+02 1.00 9.310147731e+01 9.310147731e+01 1.02 8.632504059e+01 8.632504059e+01 1.04 7.995525554e+01 7.995525554e+01 1.06 7.396264012e+01 7.396264012e+01 1.08 6.830905082e+01 6.830905082e+01 1.10 6.298342268e+01 6.298342268e+01 1.12 5.796818070e+01 5.796818070e+01 1.14 5.323749302e+01 5.323749302e+01 1.16 4.879644928e+01 4.879644928e+01 1.18 4.462044940e+01 4.462044940e+01 1.20 4.069322592e+01 4.069322592e+01 1.22 3.700616573e+01 3.700616573e+01 1.24 3.356088021e+01 3.356088021e+01 1.26 3.038300145e+01 3.038300145e+01 1.28 2.745402946e+01 2.745402946e+01 1.30 2.475360138e+01 2.475360138e+01 1.32 2.226449573e+01 2.226449573e+01 1.34 1.996786550e+01 1.996786550e+01 1.36 1.784638964e+01 1.784638964e+01 1.38 1.588937849e+01 1.588937849e+01 1.40 1.409190997e+01 1.409190997e+01 1.42 1.245000133e+01 1.245000133e+01 1.44 1.095742419e+01 1.095742419e+01 1.46 9.607315650e+00 9.607315650e+00 1.48 8.391450775e+00 8.391450775e+00 1.50 7.298119002e+00 7.298119002e+00 1.52 6.308940694e+00 6.308940694e+00 1.54 5.412549927e+00 5.412549927e+00 1.56 4.601404916e+00 4.601404916e+00 1.58 3.870663187e+00 3.870663187e+00 1.60 3.228214783e+00 3.228214783e+00 1.62 2.695698313e+00 2.695698313e+00 1.64 2.268651027e+00 2.268651027e+00 1.66 1.915017392e+00 1.915017392e+00 1.68 1.613629877e+00 1.613629877e+00 1.70 1.355145917e+00 1.355145917e+00 1.72 1.132067161e+00 1.132067161e+00 1.74 9.370865086e-01 9.370865086e-01 1.76 7.663522695e-01 7.663522695e-01 1.78 6.191752019e-01 6.191752019e-01 1.80 4.935153191e-01 4.935153191e-01 1.82 3.869511416e-01 3.869511416e-01 1.84 2.965575606e-01 2.965575606e-01 1.86 2.208766344e-01 2.208766344e-01 1.88 1.590498451e-01 1.590498451e-01 1.90 1.102199063e-01 1.102199063e-01 1.92 7.340710598e-02 7.340710598e-02 1.94 4.591214326e-02 4.591214326e-02 1.96 2.485131421e-02 2.485131421e-02 1.98 9.474712113e-03 9.474712113e-03 2.00 -8.563092170e-04 -8.563092170e-04 2.02 -6.773918093e-03 -6.773918093e-03 2.04 -8.890447376e-03 -8.890447376e-03 2.06 -7.916498915e-03 -7.916498915e-03 2.08 -4.780940111e-03 -4.780940111e-03 2.10 -4.308486898e-04 -4.308486898e-04 2.12 4.199268842e-03 4.199268842e-03 2.14 8.331502887e-03 8.331502887e-03 2.16 1.172240839e-02 1.172240839e-02 2.18 1.433512464e-02 1.433512464e-02 2.20 1.633101565e-02 1.633101565e-02 2.22 1.787615968e-02 1.787615968e-02 2.24 1.899453897e-02 1.899453897e-02 2.26 1.963552019e-02 1.963552019e-02 2.28 1.974639042e-02 1.974639042e-02 2.30 1.927279158e-02 1.927279158e-02 2.32 1.815883646e-02 1.815883646e-02 2.34 1.635194999e-02 1.635194999e-02 2.36 1.366740188e-02 1.366740188e-02 2.38 9.640852202e-03 9.640852202e-03 2.40 4.402826347e-03 4.402826347e-03 2.42 -1.696140229e-03 -1.696140229e-03 2.44 -8.305869651e-03 -8.305869651e-03 2.46 -1.507766028e-02 -1.507766028e-02 2.48 -2.166429914e-02 -2.166429914e-02 2.50 -2.772008641e-02 -2.772008641e-02 2.52 -3.290085955e-02 -3.290085955e-02 2.54 -3.686404930e-02 -3.686404930e-02 2.56 -3.926890561e-02 -3.926890561e-02 2.58 -3.988103360e-02 -3.988103360e-02 2.60 -3.875801777e-02 -3.875801777e-02 2.62 -3.601153883e-02 -3.601153883e-02 2.64 -3.176223800e-02 -3.176223800e-02 2.66 -2.613391805e-02 -2.613391805e-02 2.68 -1.924573536e-02 -1.924573536e-02 2.70 -1.126493697e-02 -1.126493697e-02 2.72 -2.196842029e-03 -2.196842029e-03 2.74 7.225878347e-03 7.225878347e-03 2.76 1.919516875e-02 1.919516875e-02 2.78 2.894408707e-02 2.894408707e-02 2.80 3.693197689e-02 3.693197689e-02 2.82 5.083826089e-02 5.083826089e-02 2.84 7.053588071e-02 7.053588071e-02 2.86 9.443190118e-02 9.443190118e-02 2.88 1.158831325e-01 1.158831325e-01 2.90 1.304403478e-01 1.304403478e-01 2.92 1.378925563e-01 1.378925563e-01 2.94 1.394427362e-01 1.394427362e-01 2.96 1.365011873e-01 1.365011873e-01 2.98 1.303347620e-01 1.303347620e-01 3.00 1.220754858e-01 1.220754858e-01 3.02 1.127282195e-01 1.127282195e-01 3.04 1.027426814e-01 1.027426814e-01 3.06 9.237879394e-02 9.237879394e-02 3.08 8.189647227e-02 8.189647227e-02 3.10 7.155563154e-02 7.155563154e-02 3.12 6.161604138e-02 6.161604138e-02 3.14 5.228143685e-02 5.228143685e-02 3.16 4.361504709e-02 4.361504709e-02 3.18 3.565843220e-02 3.565843220e-02 3.20 2.845315232e-02 2.845315232e-02 3.22 2.204076757e-02 2.204076757e-02 3.24 1.646283806e-02 1.646283806e-02 3.26 1.176092393e-02 1.176092393e-02 3.28 7.976691926e-03 7.976691926e-03 3.30 5.155807057e-03 5.155807057e-03 3.32 3.329928469e-03 3.329928469e-03 3.34 2.253386297e-03 2.253386297e-03 3.36 1.509254781e-03 1.509254781e-03 3.38 9.504344975e-04 9.504344975e-04 3.40 5.500199639e-04 5.500199639e-04 3.42 2.816102215e-04 2.816102215e-04 3.44 1.188043122e-04 1.188043122e-04 3.46 3.520127769e-05 3.520127769e-05 3.48 4.400159724e-06 4.400159724e-06 3.50 -1.056938050e-11 -1.056938050e-11 3.52 0.000000000e+00 0.000000000e+00 3.54 0.000000000e+00 0.000000000e+00 3.56 0.000000000e+00 0.000000000e+00 3.58 0.000000000e+00 0.000000000e+00 3.60 0.000000000e+00 0.000000000e+00 3.62 0.000000000e+00 0.000000000e+00 3.64 0.000000000e+00 0.000000000e+00 3.66 0.000000000e+00 0.000000000e+00 3.68 0.000000000e+00 0.000000000e+00 3.70 0.000000000e+00 0.000000000e+00 3.72 0.000000000e+00 0.000000000e+00 3.74 0.000000000e+00 0.000000000e+00 3.76 0.000000000e+00 0.000000000e+00 3.78 0.000000000e+00 0.000000000e+00 3.80 0.000000000e+00 0.000000000e+00 3.82 0.000000000e+00 0.000000000e+00 3.84 0.000000000e+00 0.000000000e+00 3.86 0.000000000e+00 0.000000000e+00 3.88 0.000000000e+00 0.000000000e+00 3.90 0.000000000e+00 0.000000000e+00 3.92 0.000000000e+00 0.000000000e+00 3.94 0.000000000e+00 0.000000000e+00 3.96 0.000000000e+00 0.000000000e+00 3.98 0.000000000e+00 0.000000000e+00 4.00 0.000000000e+00 0.000000000e+00 4.02 0.000000000e+00 0.000000000e+00 4.04 0.000000000e+00 0.000000000e+00 4.06 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 4.14 0.000000000e+00 0.000000000e+00 4.16 0.000000000e+00 0.000000000e+00 4.18 0.000000000e+00 0.000000000e+00 4.20 0.000000000e+00 0.000000000e+00 4.22 0.000000000e+00 0.000000000e+00 4.24 0.000000000e+00 0.000000000e+00 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