# 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 = AuNiPt2 # 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 3.293062445e+02 3.293062445e+02 1.30 3.066782751e+02 3.066782751e+02 1.32 2.855640926e+02 2.855640926e+02 1.34 2.658596725e+02 2.658596725e+02 1.36 2.474669487e+02 2.474669487e+02 1.38 2.302905363e+02 2.302905363e+02 1.40 2.142405243e+02 2.142405243e+02 1.42 1.992366747e+02 1.992366747e+02 1.44 1.852077395e+02 1.852077395e+02 1.46 1.720877568e+02 1.720877568e+02 1.48 1.598146217e+02 1.598146217e+02 1.50 1.483306171e+02 1.483306171e+02 1.52 1.375814465e+02 1.375814465e+02 1.54 1.275137393e+02 1.275137393e+02 1.56 1.180738313e+02 1.180738313e+02 1.58 1.092089939e+02 1.092089939e+02 1.60 1.008697587e+02 1.008697587e+02 1.62 9.301173398e+01 9.301173398e+01 1.64 8.559638551e+01 8.559638551e+01 1.66 7.859105666e+01 7.859105666e+01 1.68 7.196869353e+01 7.196869353e+01 1.70 6.570744541e+01 6.570744541e+01 1.72 5.978981461e+01 5.978981461e+01 1.74 5.420566599e+01 5.420566599e+01 1.76 4.895699996e+01 4.895699996e+01 1.78 4.412273972e+01 4.412273972e+01 1.80 3.969570103e+01 3.969570103e+01 1.82 3.564060862e+01 3.564060862e+01 1.84 3.192539336e+01 3.192539336e+01 1.86 2.852206144e+01 2.852206144e+01 1.88 2.540652710e+01 2.540652710e+01 1.90 2.255753729e+01 2.255753729e+01 1.92 1.995527156e+01 1.995527156e+01 1.94 1.758035724e+01 1.758035724e+01 1.96 1.541368213e+01 1.541368213e+01 1.98 1.343681558e+01 1.343681558e+01 2.00 1.163256599e+01 1.163256599e+01 2.02 9.985331824e+00 9.985331824e+00 2.04 8.481177022e+00 8.481177022e+00 2.06 7.107723412e+00 7.107723412e+00 2.08 5.853963072e+00 5.853963072e+00 2.10 4.710047252e+00 4.710047252e+00 2.12 3.667080423e+00 3.667080423e+00 2.14 2.716946119e+00 2.716946119e+00 2.16 1.852188345e+00 1.852188345e+00 2.18 1.065953111e+00 1.065953111e+00 2.20 3.519707910e-01 3.519707910e-01 2.22 -2.954500479e-01 -2.954500479e-01 2.24 -8.814396338e-01 -8.814396338e-01 2.26 -1.410603622e+00 -1.410603622e+00 2.28 -1.887078390e+00 -1.887078390e+00 2.30 -2.314599959e+00 -2.314599959e+00 2.32 -2.696580274e+00 -2.696580274e+00 2.34 -3.036183161e+00 -3.036183161e+00 2.36 -3.336391233e+00 -3.336391233e+00 2.38 -3.600056318e+00 -3.600056318e+00 2.40 -3.829930876e+00 -3.829930876e+00 2.42 -4.028683066e+00 -4.028683066e+00 2.44 -4.198900359e+00 -4.198900359e+00 2.46 -4.343086076e+00 -4.343086076e+00 2.48 -4.463652658e+00 -4.463652658e+00 2.50 -4.563605947e+00 -4.563605947e+00 2.52 -4.647397215e+00 -4.647397215e+00 2.54 -4.716517831e+00 -4.716517831e+00 2.56 -4.772201976e+00 -4.772201976e+00 2.58 -4.815666299e+00 -4.815666299e+00 2.60 -4.848053673e+00 -4.848053673e+00 2.62 -4.870388744e+00 -4.870388744e+00 2.64 -4.883554817e+00 -4.883554817e+00 2.66 -4.888291653e+00 -4.888291653e+00 2.68 -4.885211872e+00 -4.885211872e+00 2.70 -4.874827826e+00 -4.874827826e+00 2.72 -4.857576855e+00 -4.857576855e+00 2.74 -4.833841984e+00 -4.833841984e+00 2.76 -4.803965750e+00 -4.803965750e+00 2.78 -4.768259608e+00 -4.768259608e+00 2.80 -4.727059273e+00 -4.727059273e+00 2.82 -4.680577446e+00 -4.680577446e+00 2.84 -4.628926760e+00 -4.628926760e+00 2.86 -4.572250818e+00 -4.572250818e+00 2.88 -4.510750000e+00 -4.510750000e+00 2.90 -4.444699888e+00 -4.444699888e+00 2.92 -4.374468529e+00 -4.374468529e+00 2.94 -4.300526300e+00 -4.300526300e+00 2.96 -4.223442221e+00 -4.223442221e+00 2.98 -4.143862761e+00 -4.143862761e+00 3.00 -4.062471201e+00 -4.062471201e+00 3.02 -3.979940871e+00 -3.979940871e+00 3.04 -3.896889125e+00 -3.896889125e+00 3.06 -3.813838433e+00 -3.813838433e+00 3.08 -3.731194061e+00 -3.731194061e+00 3.10 -3.649240164e+00 -3.649240164e+00 3.12 -3.568150971e+00 -3.568150971e+00 3.14 -3.488011308e+00 -3.488011308e+00 3.16 -3.408840411e+00 -3.408840411e+00 3.18 -3.330614607e+00 -3.330614607e+00 3.20 -3.253286236e+00 -3.253286236e+00 3.22 -3.176797981e+00 -3.176797981e+00 3.24 -3.101092852e+00 -3.101092852e+00 3.26 -3.026120594e+00 -3.026120594e+00 3.28 -2.951841426e+00 -2.951841426e+00 3.30 -2.878229191e+00 -2.878229191e+00 3.32 -2.805327589e+00 -2.805327589e+00 3.34 -2.733256257e+00 -2.733256257e+00 3.36 -2.662124222e+00 -2.662124222e+00 3.38 -2.592026386e+00 -2.592026386e+00 3.40 -2.523045428e+00 -2.523045428e+00 3.42 -2.455252716e+00 -2.455252716e+00 3.44 -2.388708619e+00 -2.388708619e+00 3.46 -2.323462548e+00 -2.323462548e+00 3.48 -2.259552976e+00 -2.259552976e+00 3.50 -2.197007603e+00 -2.197007603e+00 3.52 -2.135843766e+00 -2.135843766e+00 3.54 -2.076069102e+00 -2.076069102e+00 3.56 -2.017682415e+00 -2.017682415e+00 3.58 -1.960674676e+00 -1.960674676e+00 3.60 -1.905030044e+00 -1.905030044e+00 3.62 -1.850726850e+00 -1.850726850e+00 3.64 -1.797738500e+00 -1.797738500e+00 3.66 -1.746034287e+00 -1.746034287e+00 3.68 -1.695580177e+00 -1.695580177e+00 3.70 -1.646339597e+00 -1.646339597e+00 3.72 -1.598274323e+00 -1.598274323e+00 3.74 -1.551345471e+00 -1.551345471e+00 3.76 -1.505514619e+00 -1.505514619e+00 3.78 -1.460744965e+00 -1.460744965e+00 3.80 -1.417002440e+00 -1.417002440e+00 3.82 -1.374256598e+00 -1.374256598e+00 3.84 -1.332481157e+00 -1.332481157e+00 3.86 -1.291654047e+00 -1.291654047e+00 3.88 -1.251756960e+00 -1.251756960e+00 3.90 -1.212774444e+00 -1.212774444e+00 3.92 -1.174692735e+00 -1.174692735e+00 3.94 -1.137498588e+00 -1.137498588e+00 3.96 -1.101178344e+00 -1.101178344e+00 3.98 -1.065717494e+00 -1.065717494e+00 4.00 -1.031100818e+00 -1.031100818e+00 4.02 -9.973131116e-01 -9.973131116e-01 4.04 -9.643403386e-01 -9.643403386e-01 4.06 -9.321710093e-01 -9.321710093e-01 4.08 -9.007974965e-01 -9.007974965e-01 4.10 -8.702170231e-01 -8.702170231e-01 4.12 -8.404321299e-01 -8.404321299e-01 4.14 -8.114503753e-01 -8.114503753e-01 4.16 -7.832833519e-01 -7.832833519e-01 4.18 -7.559449884e-01 -7.559449884e-01 4.20 -7.294493647e-01 -7.294493647e-01 4.22 -7.038083080e-01 -7.038083080e-01 4.24 -6.790290845e-01 -6.790290845e-01 4.26 -6.551124833e-01 -6.551124833e-01 4.28 -6.320515021e-01 -6.320515021e-01 4.30 -6.098307357e-01 -6.098307357e-01 4.32 -5.884264378e-01 -5.884264378e-01 4.34 -5.678071347e-01 -5.678071347e-01 4.36 -5.479346096e-01 -5.479346096e-01 4.38 -5.287650726e-01 -5.287650726e-01 4.40 -5.102503550e-01 -5.102503550e-01 4.42 -4.923390165e-01 -4.923390165e-01 4.44 -4.749773047e-01 -4.749773047e-01 4.46 -4.581099523e-01 -4.581099523e-01 4.48 -4.416808362e-01 -4.416808362e-01 4.50 -4.256335449e-01 -4.256335449e-01 4.52 -4.099119187e-01 -4.099119187e-01 4.54 -3.944606325e-01 -3.944606325e-01 4.56 -3.792258834e-01 -3.792258834e-01 4.58 -3.641562386e-01 -3.641562386e-01 4.60 -3.492036751e-01 -3.492036751e-01 4.62 -3.343248224e-01 -3.343248224e-01 4.64 -3.194823906e-01 -3.194823906e-01 4.66 -3.046467383e-01 -3.046467383e-01 4.68 -2.897975045e-01 -2.897975045e-01 4.70 -2.749251982e-01 -2.749251982e-01 4.72 -2.600326081e-01 -2.600326081e-01 4.74 -2.451358767e-01 -2.451358767e-01 4.76 -2.302650659e-01 -2.302650659e-01 4.78 -2.154640543e-01 -2.154640543e-01 4.80 -2.007896350e-01 -2.007896350e-01 4.82 -1.863097536e-01 -1.863097536e-01 4.84 -1.721008856e-01 -1.721008856e-01 4.86 -1.582447008e-01 -1.582447008e-01 4.88 -1.448242135e-01 -1.448242135e-01 4.90 -1.319197304e-01 -1.319197304e-01 4.92 -1.196049372e-01 -1.196049372e-01 4.94 -1.079434614e-01 -1.079434614e-01 4.96 -9.698619050e-02 -9.698619050e-02 4.98 -8.676953119e-02 -8.676953119e-02 5.00 -7.731469493e-02 -7.731469493e-02 5.02 -6.862792613e-02 -6.862792613e-02 5.04 -6.070156419e-02 -6.070156419e-02 5.06 -5.351573205e-02 -5.351573205e-02 5.08 -4.704042321e-02 -4.704042321e-02 5.10 -4.123811755e-02 -4.123811755e-02 5.12 -3.606611104e-02 -3.606611104e-02 5.14 -3.147680173e-02 -3.147680173e-02 5.16 -2.742107196e-02 -2.742107196e-02 5.18 -2.384989724e-02 -2.384989724e-02 5.20 -2.071551937e-02 -2.071551937e-02 5.22 -1.797232552e-02 -1.797232552e-02 5.24 -1.557745682e-02 -1.557745682e-02 5.26 -1.349107596e-02 -1.349107596e-02 5.28 -1.167642292e-02 -1.167642292e-02 5.30 -1.010078604e-02 -1.010078604e-02 5.32 -8.734658433e-03 -8.734658433e-03 5.34 -7.551574920e-03 -7.551574920e-03 5.36 -6.527975573e-03 -6.527975573e-03 5.38 -5.643015827e-03 -5.643015827e-03 5.40 -4.878347522e-03 -4.878347522e-03 5.42 -4.217888349e-03 -4.217888349e-03 5.44 -3.647591726e-03 -3.647591726e-03 5.46 -3.155225084e-03 -3.155225084e-03 5.48 -2.730161519e-03 -2.730161519e-03 5.50 -2.363187593e-03 -2.363187593e-03 5.52 -2.046328523e-03 -2.046328523e-03 5.54 -1.772690930e-03 -1.772690930e-03 5.56 -1.536322640e-03 -1.536322640e-03 5.58 -1.332088554e-03 -1.332088554e-03 5.60 -1.155561403e-03 -1.155561403e-03 5.62 -1.002926045e-03 -1.002926045e-03 5.64 -8.708959614e-04 -8.708959614e-04 5.66 -7.566406199e-04 -7.566406199e-04 5.68 -6.577224749e-04 -6.577224749e-04 5.70 -5.720424315e-04 -5.720424315e-04 5.72 -4.977927267e-04 -4.977927267e-04 5.74 -4.334162785e-04 -4.334162785e-04 5.76 -3.775716534e-04 -3.775716534e-04 5.78 -3.291029067e-04 -3.291029067e-04 5.80 -2.870136350e-04 -2.870136350e-04 5.82 -2.504446654e-04 -2.504446654e-04 5.84 -2.186548789e-04 -2.186548789e-04 5.86 -1.910047326e-04 -1.910047326e-04 5.88 -1.669421021e-04 -1.669421021e-04 5.90 -1.459901196e-04 -1.459901196e-04 5.92 -1.277367241e-04 -1.277367241e-04 5.94 -1.118256829e-04 -1.118256829e-04 5.96 -9.794887617e-05 -9.794887617e-05 5.98 -8.583966437e-05 -8.583966437e-05 6.00 -7.526718604e-05 -7.526718604e-05