# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Tirumala-A-S-Shattock-O-Mason-D-R-et-al--W-H-He # implementation = 2026--Tirumala-A-S--W-H-He--LAMMPS--ipr1 # composition = HHeW2 # 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 2026-06-16 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 1.003464968e+03 1.003464968e+03 0.92 8.912201491e+02 8.912201491e+02 0.94 7.910923737e+02 7.910923737e+02 0.96 7.017553145e+02 7.017553145e+02 0.98 6.226938484e+02 6.226938484e+02 1.00 5.534261739e+02 5.534261739e+02 1.02 4.926606989e+02 4.926606989e+02 1.04 4.391751861e+02 4.391751861e+02 1.06 3.918512990e+02 3.918512990e+02 1.08 3.497620107e+02 3.497620107e+02 1.10 3.123232894e+02 3.123232894e+02 1.12 2.791010306e+02 2.791010306e+02 1.14 2.495495664e+02 2.495495664e+02 1.16 2.231918518e+02 2.231918518e+02 1.18 1.996627274e+02 1.996627274e+02 1.20 1.786952493e+02 1.786952493e+02 1.22 1.600753680e+02 1.600753680e+02 1.24 1.435470589e+02 1.435470589e+02 1.26 1.288597289e+02 1.288597289e+02 1.28 1.157827482e+02 1.157827482e+02 1.30 1.041065565e+02 1.041065565e+02 1.32 9.364070470e+01 9.364070470e+01 1.34 8.422159216e+01 8.422159216e+01 1.36 7.571677479e+01 7.571677479e+01 1.38 6.801951771e+01 6.801951771e+01 1.40 6.105135595e+01 6.105135595e+01 1.42 5.475671058e+01 5.475671058e+01 1.44 4.908937952e+01 4.908937952e+01 1.46 4.398419277e+01 4.398419277e+01 1.48 3.937347473e+01 3.937347473e+01 1.50 3.519707941e+01 3.519707941e+01 1.52 3.140408661e+01 3.140408661e+01 1.54 2.795502718e+01 2.795502718e+01 1.56 2.482474792e+01 2.482474792e+01 1.58 2.198583823e+01 2.198583823e+01 1.60 1.940885424e+01 1.940885424e+01 1.62 1.707653682e+01 1.707653682e+01 1.64 1.498068690e+01 1.498068690e+01 1.66 1.310746498e+01 1.310746498e+01 1.68 1.144076989e+01 1.144076989e+01 1.70 9.964294911e+00 9.964294911e+00 1.72 8.663881189e+00 8.663881189e+00 1.74 7.522868262e+00 7.522868262e+00 1.76 6.522440655e+00 6.522440655e+00 1.78 5.641602177e+00 5.641602177e+00 1.80 4.858331402e+00 4.858331402e+00 1.82 4.151089295e+00 4.151089295e+00 1.84 3.498914017e+00 3.498914017e+00 1.86 2.884069579e+00 2.884069579e+00 1.88 2.298316602e+00 2.298316602e+00 1.90 1.744168546e+00 1.744168546e+00 1.92 1.227378618e+00 1.227378618e+00 1.94 7.476498531e-01 7.476498531e-01 1.96 3.023593071e-01 3.023593071e-01 1.98 -1.126943036e-01 -1.126943036e-01 2.00 -5.007024678e-01 -5.007024678e-01 2.02 -8.638504043e-01 -8.638504043e-01 2.04 -1.203401511e+00 -1.203401511e+00 2.06 -1.519903938e+00 -1.519903938e+00 2.08 -1.813454432e+00 -1.813454432e+00 2.10 -2.084575911e+00 -2.084575911e+00 2.12 -2.333655589e+00 -2.333655589e+00 2.14 -2.559385068e+00 -2.559385068e+00 2.16 -2.758446426e+00 -2.758446426e+00 2.18 -2.927141381e+00 -2.927141381e+00 2.20 -3.059893269e+00 -3.059893269e+00 2.22 -3.147435013e+00 -3.147435013e+00 2.24 -3.173834085e+00 -3.173834085e+00 2.26 -3.141194930e+00 -3.141194930e+00 2.28 -3.069298535e+00 -3.069298535e+00 2.30 -2.978247075e+00 -2.978247075e+00 2.32 -2.883405022e+00 -2.883405022e+00 2.34 -2.794974902e+00 -2.794974902e+00 2.36 -2.718410847e+00 -2.718410847e+00 2.38 -2.654601251e+00 -2.654601251e+00 2.40 -2.600338434e+00 -2.600338434e+00 2.42 -2.552396384e+00 -2.552396384e+00 2.44 -2.510751888e+00 -2.510751888e+00 2.46 -2.475781475e+00 -2.475781475e+00 2.48 -2.447949676e+00 -2.447949676e+00 2.50 -2.426913668e+00 -2.426913668e+00 2.52 -2.411445175e+00 -2.411445175e+00 2.54 -2.399317248e+00 -2.399317248e+00 2.56 -2.388849676e+00 -2.388849676e+00 2.58 -2.380246683e+00 -2.380246683e+00 2.60 -2.373704053e+00 -2.373704053e+00 2.62 -2.369142201e+00 -2.369142201e+00 2.64 -2.366112634e+00 -2.366112634e+00 2.66 -2.363695145e+00 -2.363695145e+00 2.68 -2.360394318e+00 -2.360394318e+00 2.70 -2.354615037e+00 -2.354615037e+00 2.72 -2.346716334e+00 -2.346716334e+00 2.74 -2.337629581e+00 -2.337629581e+00 2.76 -2.327826710e+00 -2.327826710e+00 2.78 -2.317541042e+00 -2.317541042e+00 2.80 -2.306935071e+00 -2.306935071e+00 2.82 -2.296097444e+00 -2.296097444e+00 2.84 -2.285031847e+00 -2.285031847e+00 2.86 -2.273648717e+00 -2.273648717e+00 2.88 -2.261980885e+00 -2.261980885e+00 2.90 -2.250164937e+00 -2.250164937e+00 2.92 -2.238276103e+00 -2.238276103e+00 2.94 -2.226347519e+00 -2.226347519e+00 2.96 -2.214387014e+00 -2.214387014e+00 2.98 -2.202374847e+00 -2.202374847e+00 3.00 -2.190261052e+00 -2.190261052e+00 3.02 -2.177963491e+00 -2.177963491e+00 3.04 -2.165365009e+00 -2.165365009e+00 3.06 -2.152307046e+00 -2.152307046e+00 3.08 -2.138613373e+00 -2.138613373e+00 3.10 -2.124154319e+00 -2.124154319e+00 3.12 -2.108783153e+00 -2.108783153e+00 3.14 -2.092315613e+00 -2.092315613e+00 3.16 -2.074531230e+00 -2.074531230e+00 3.18 -2.055172881e+00 -2.055172881e+00 3.20 -2.033960335e+00 -2.033960335e+00 3.22 -2.010608519e+00 -2.010608519e+00 3.24 -1.984861078e+00 -1.984861078e+00 3.26 -1.956526874e+00 -1.956526874e+00 3.28 -1.925518853e+00 -1.925518853e+00 3.30 -1.891873595e+00 -1.891873595e+00 3.32 -1.855746985e+00 -1.855746985e+00 3.34 -1.817391567e+00 -1.817391567e+00 3.36 -1.777115188e+00 -1.777115188e+00 3.38 -1.735250170e+00 -1.735250170e+00 3.40 -1.692125573e+00 -1.692125573e+00 3.42 -1.648051897e+00 -1.648051897e+00 3.44 -1.603314495e+00 -1.603314495e+00 3.46 -1.558176462e+00 -1.558176462e+00 3.48 -1.512895292e+00 -1.512895292e+00 3.50 -1.467720070e+00 -1.467720070e+00 3.52 -1.422875248e+00 -1.422875248e+00 3.54 -1.378566014e+00 -1.378566014e+00 3.56 -1.334977077e+00 -1.334977077e+00 3.58 -1.292277870e+00 -1.292277870e+00 3.60 -1.250623987e+00 -1.250623987e+00 3.62 -1.210160685e+00 -1.210160685e+00 3.64 -1.171022114e+00 -1.171022114e+00 3.66 -1.133335163e+00 -1.133335163e+00 3.68 -1.097218260e+00 -1.097218260e+00 3.70 -1.062783031e+00 -1.062783031e+00 3.72 -1.030135225e+00 -1.030135225e+00 3.74 -9.993720495e-01 -9.993720495e-01 3.76 -9.705826906e-01 -9.705826906e-01 3.78 -9.438471551e-01 -9.438471551e-01 3.80 -9.192354621e-01 -9.192354621e-01 3.82 -8.968019514e-01 -8.968019514e-01 3.84 -8.765892768e-01 -8.765892768e-01 3.86 -8.586203542e-01 -8.586203542e-01 3.88 -8.428318963e-01 -8.428318963e-01 3.90 -8.290589711e-01 -8.290589711e-01 3.92 -8.170888772e-01 -8.170888772e-01 3.94 -8.066654257e-01 -8.066654257e-01 3.96 -7.974898646e-01 -7.974898646e-01 3.98 -7.892647547e-01 -7.892647547e-01 4.00 -7.816655345e-01 -7.816655345e-01 4.02 -7.743251654e-01 -7.743251654e-01 4.04 -7.668547775e-01 -7.668547775e-01 4.06 -7.590396069e-01 -7.590396069e-01 4.08 -7.506914173e-01 -7.506914173e-01 4.10 -7.415868413e-01 -7.415868413e-01 4.12 -7.315315460e-01 -7.315315460e-01 4.14 -7.203518450e-01 -7.203518450e-01 4.16 -7.079005438e-01 -7.079005438e-01 4.18 -6.940696418e-01 -6.940696418e-01 4.20 -6.787853266e-01 -6.787853266e-01 4.22 -6.619705247e-01 -6.619705247e-01 4.24 -6.436048379e-01 -6.436048379e-01 4.26 -6.237314070e-01 -6.237314070e-01 4.28 -6.024104884e-01 -6.024104884e-01 4.30 -5.793042040e-01 -5.793042040e-01 4.32 -5.547429540e-01 -5.547429540e-01 4.34 -5.293618285e-01 -5.293618285e-01 4.36 -5.037214760e-01 -5.037214760e-01 4.38 -4.784842517e-01 -4.784842517e-01 4.40 -4.539340333e-01 -4.539340333e-01 4.42 -4.289870587e-01 -4.289870587e-01 4.44 -4.015353029e-01 -4.015353029e-01 4.46 -3.700182375e-01 -3.700182375e-01 4.48 -3.347299786e-01 -3.347299786e-01 4.50 -2.971369791e-01 -2.971369791e-01 4.52 -2.592363714e-01 -2.592363714e-01 4.54 -2.225174999e-01 -2.225174999e-01 4.56 -1.879535989e-01 -1.879535989e-01 4.58 -1.561499058e-01 -1.561499058e-01 4.60 -1.274606372e-01 -1.274606372e-01 4.62 -1.020314092e-01 -1.020314092e-01 4.64 -7.985462953e-02 -7.985462953e-02 4.66 -6.080335499e-02 -6.080335499e-02 4.68 -4.474890095e-02 -4.474890095e-02 4.70 -3.157432809e-02 -3.157432809e-02 4.72 -2.111388058e-02 -2.111388058e-02 4.74 -1.314560280e-02 -1.314560280e-02 4.76 -7.401907241e-03 -7.401907241e-03 4.78 -3.585118210e-03 -3.585118210e-03 4.80 -1.351631151e-03 -1.351631151e-03 4.82 -3.021753912e-04 -3.021753912e-04 4.84 -1.336763932e-05 -1.336763932e-05 4.86 1.267354209e-13 1.267354209e-13 4.88 1.267354209e-13 1.267354209e-13 4.90 1.267354209e-13 1.267354209e-13 4.92 1.267354209e-13 1.267354209e-13 4.94 1.267354209e-13 1.267354209e-13 4.96 1.267354209e-13 1.267354209e-13 4.98 1.267354209e-13 1.267354209e-13 5.00 1.267354209e-13 1.267354209e-13 5.02 1.267354209e-13 1.267354209e-13 5.04 1.267354209e-13 1.267354209e-13 5.06 1.267354209e-13 1.267354209e-13 5.08 1.267354209e-13 1.267354209e-13 5.10 1.267354209e-13 1.267354209e-13 5.12 1.267354209e-13 1.267354209e-13 5.14 1.267354209e-13 1.267354209e-13 5.16 1.267354209e-13 1.267354209e-13 5.18 1.267354209e-13 1.267354209e-13 5.20 1.267354209e-13 1.267354209e-13 5.22 1.267354209e-13 1.267354209e-13 5.24 1.267354209e-13 1.267354209e-13 5.26 1.267354209e-13 1.267354209e-13 5.28 1.267354209e-13 1.267354209e-13 5.30 1.267354209e-13 1.267354209e-13 5.32 1.267354209e-13 1.267354209e-13 5.34 1.267354209e-13 1.267354209e-13 5.36 1.267354209e-13 1.267354209e-13 5.38 1.267354209e-13 1.267354209e-13 5.40 1.267354209e-13 1.267354209e-13 5.42 1.267354209e-13 1.267354209e-13 5.44 1.267354209e-13 1.267354209e-13 5.46 1.267354209e-13 1.267354209e-13 5.48 1.267354209e-13 1.267354209e-13 5.50 1.267354209e-13 1.267354209e-13 5.52 1.267354209e-13 1.267354209e-13 5.54 1.267354209e-13 1.267354209e-13 5.56 1.267354209e-13 1.267354209e-13 5.58 1.267354209e-13 1.267354209e-13 5.60 1.267354209e-13 1.267354209e-13 5.62 1.267354209e-13 1.267354209e-13 5.64 1.267354209e-13 1.267354209e-13 5.66 1.267354209e-13 1.267354209e-13 5.68 1.267354209e-13 1.267354209e-13 5.70 1.267354209e-13 1.267354209e-13 5.72 1.267354209e-13 1.267354209e-13 5.74 1.267354209e-13 1.267354209e-13 5.76 1.267354209e-13 1.267354209e-13 5.78 1.267354209e-13 1.267354209e-13 5.80 1.267354209e-13 1.267354209e-13 5.82 1.267354209e-13 1.267354209e-13 5.84 1.267354209e-13 1.267354209e-13 5.86 1.267354209e-13 1.267354209e-13 5.88 1.267354209e-13 1.267354209e-13 5.90 1.267354209e-13 1.267354209e-13 5.92 1.267354209e-13 1.267354209e-13 5.94 1.267354209e-13 1.267354209e-13 5.96 1.267354209e-13 1.267354209e-13 5.98 1.267354209e-13 1.267354209e-13 6.00 1.267354209e-13 1.267354209e-13