# 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 = Co2NiPt # 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 1.820358568e+02 1.820358568e+02 1.30 1.679305789e+02 1.679305789e+02 1.32 1.548554219e+02 1.548554219e+02 1.34 1.427367800e+02 1.427367800e+02 1.36 1.315079480e+02 1.315079480e+02 1.38 1.211030549e+02 1.211030549e+02 1.40 1.114551189e+02 1.114551189e+02 1.42 1.024983213e+02 1.024983213e+02 1.44 9.417202489e+01 9.417202489e+01 1.46 8.642400101e+01 8.642400101e+01 1.48 7.921094353e+01 7.921094353e+01 1.50 7.249602305e+01 7.249602305e+01 1.52 6.624547610e+01 6.624547610e+01 1.54 6.042639899e+01 6.042639899e+01 1.56 5.500624039e+01 5.500624039e+01 1.58 4.995325443e+01 4.995325443e+01 1.60 4.523716162e+01 4.523716162e+01 1.62 4.082980802e+01 4.082980802e+01 1.64 3.670588194e+01 3.670588194e+01 1.66 3.284475982e+01 3.284475982e+01 1.68 2.928014576e+01 2.928014576e+01 1.70 2.601916679e+01 2.601916679e+01 1.72 2.304096232e+01 2.304096232e+01 1.74 2.032636028e+01 2.032636028e+01 1.76 1.785645674e+01 1.785645674e+01 1.78 1.561187595e+01 1.561187595e+01 1.80 1.357303315e+01 1.357303315e+01 1.82 1.172100164e+01 1.172100164e+01 1.84 1.003828033e+01 1.003828033e+01 1.86 8.509080456e+00 8.509080456e+00 1.88 7.119207860e+00 7.119207860e+00 1.90 5.855813762e+00 5.855813762e+00 1.92 4.707222250e+00 4.707222250e+00 1.94 3.662885647e+00 3.662885647e+00 1.96 2.713401782e+00 2.713401782e+00 1.98 1.850496056e+00 1.850496056e+00 2.00 1.066916736e+00 1.066916736e+00 2.02 3.562655089e-01 3.562655089e-01 2.04 -2.871790757e-01 -2.871790757e-01 2.06 -8.686069677e-01 -8.686069677e-01 2.08 -1.392785699e+00 -1.392785699e+00 2.10 -1.864141155e+00 -1.864141155e+00 2.12 -2.286813643e+00 -2.286813643e+00 2.14 -2.664687137e+00 -2.664687137e+00 2.16 -3.001391951e+00 -3.001391951e+00 2.18 -3.300290685e+00 -3.300290685e+00 2.20 -3.564464979e+00 -3.564464979e+00 2.22 -3.796718234e+00 -3.796718234e+00 2.24 -3.999598009e+00 -3.999598009e+00 2.26 -4.175430884e+00 -4.175430884e+00 2.28 -4.326359466e+00 -4.326359466e+00 2.30 -4.454374663e+00 -4.454374663e+00 2.32 -4.561340439e+00 -4.561340439e+00 2.34 -4.649219244e+00 -4.649219244e+00 2.36 -4.721019190e+00 -4.721019190e+00 2.38 -4.778091120e+00 -4.778091120e+00 2.40 -4.821426787e+00 -4.821426787e+00 2.42 -4.852000478e+00 -4.852000478e+00 2.44 -4.870766775e+00 -4.870766775e+00 2.46 -4.878668420e+00 -4.878668420e+00 2.48 -4.876649852e+00 -4.876649852e+00 2.50 -4.865751918e+00 -4.865751918e+00 2.52 -4.846918820e+00 -4.846918820e+00 2.54 -4.821035555e+00 -4.821035555e+00 2.56 -4.789008209e+00 -4.789008209e+00 2.58 -4.751727268e+00 -4.751727268e+00 2.60 -4.710022950e+00 -4.710022950e+00 2.62 -4.664622177e+00 -4.664622177e+00 2.64 -4.616112564e+00 -4.616112564e+00 2.66 -4.564790508e+00 -4.564790508e+00 2.68 -4.510697243e+00 -4.510697243e+00 2.70 -4.453842739e+00 -4.453842739e+00 2.72 -4.394236732e+00 -4.394236732e+00 2.74 -4.331904954e+00 -4.331904954e+00 2.76 -4.266897839e+00 -4.266897839e+00 2.78 -4.199290704e+00 -4.199290704e+00 2.80 -4.129178417e+00 -4.129178417e+00 2.82 -4.056669274e+00 -4.056669274e+00 2.84 -3.981882449e+00 -3.981882449e+00 2.86 -3.904951310e+00 -3.904951310e+00 2.88 -3.826032597e+00 -3.826032597e+00 2.90 -3.745319264e+00 -3.745319264e+00 2.92 -3.663053364e+00 -3.663053364e+00 2.94 -3.579534664e+00 -3.579534664e+00 2.96 -3.495120959e+00 -3.495120959e+00 2.98 -3.410217520e+00 -3.410217520e+00 3.00 -3.325255737e+00 -3.325255737e+00 3.02 -3.240664082e+00 -3.240664082e+00 3.04 -3.156836909e+00 -3.156836909e+00 3.06 -3.074131705e+00 -3.074131705e+00 3.08 -2.992931935e+00 -2.992931935e+00 3.10 -2.913521290e+00 -2.913521290e+00 3.12 -2.836055102e+00 -2.836055102e+00 3.14 -2.760587655e+00 -2.760587655e+00 3.16 -2.687101870e+00 -2.687101870e+00 3.18 -2.615536708e+00 -2.615536708e+00 3.20 -2.545809397e+00 -2.545809397e+00 3.22 -2.477831448e+00 -2.477831448e+00 3.24 -2.411518846e+00 -2.411518846e+00 3.26 -2.346797527e+00 -2.346797527e+00 3.28 -2.283605461e+00 -2.283605461e+00 3.30 -2.221892554e+00 -2.221892554e+00 3.32 -2.161619295e+00 -2.161619295e+00 3.34 -2.102754797e+00 -2.102754797e+00 3.36 -2.045274658e+00 -2.045274658e+00 3.38 -1.989158891e+00 -1.989158891e+00 3.40 -1.934390057e+00 -1.934390057e+00 3.42 -1.880951684e+00 -1.880951684e+00 3.44 -1.828826982e+00 -1.828826982e+00 3.46 -1.777997863e+00 -1.777997863e+00 3.48 -1.728444242e+00 -1.728444242e+00 3.50 -1.680143593e+00 -1.680143593e+00 3.52 -1.633070708e+00 -1.633070708e+00 3.54 -1.587197652e+00 -1.587197652e+00 3.56 -1.542493839e+00 -1.542493839e+00 3.58 -1.498926235e+00 -1.498926235e+00 3.60 -1.456459654e+00 -1.456459654e+00 3.62 -1.415057137e+00 -1.415057137e+00 3.64 -1.374680439e+00 -1.374680439e+00 3.66 -1.335290604e+00 -1.335290604e+00 3.68 -1.296848645e+00 -1.296848645e+00 3.70 -1.259316297e+00 -1.259316297e+00 3.72 -1.222656817e+00 -1.222656817e+00 3.74 -1.186835733e+00 -1.186835733e+00 3.76 -1.151821489e+00 -1.151821489e+00 3.78 -1.117585856e+00 -1.117585856e+00 3.80 -1.084104041e+00 -1.084104041e+00 3.82 -1.051354434e+00 -1.051354434e+00 3.84 -1.019317974e+00 -1.019317974e+00 3.86 -9.879771940e-01 -9.879771940e-01 3.88 -9.573150558e-01 -9.573150558e-01 3.90 -9.273137322e-01 -9.273137322e-01 3.92 -8.979535370e-01 -8.979535370e-01 3.94 -8.692121886e-01 -8.692121886e-01 3.96 -8.410645347e-01 -8.410645347e-01 3.98 -8.134828385e-01 -8.134828385e-01 4.00 -7.864376107e-01 -7.864376107e-01 4.02 -7.598989267e-01 -7.598989267e-01 4.04 -7.338381096e-01 -7.338381096e-01 4.06 -7.082296262e-01 -7.082296262e-01 4.08 -6.830530224e-01 -6.830530224e-01 4.10 -6.582947089e-01 -6.582947089e-01 4.12 -6.339494258e-01 -6.339494258e-01 4.14 -6.100211541e-01 -6.100211541e-01 4.16 -5.865233784e-01 -5.865233784e-01 4.18 -5.634785434e-01 -5.634785434e-01 4.20 -5.409166953e-01 -5.409166953e-01 4.22 -5.188733753e-01 -5.188733753e-01 4.24 -4.973869433e-01 -4.973869433e-01 4.26 -4.764955922e-01 -4.764955922e-01 4.28 -4.562343702e-01 -4.562343702e-01 4.30 -4.366325291e-01 -4.366325291e-01 4.32 -4.177114713e-01 -4.177114713e-01 4.34 -3.994834825e-01 -3.994834825e-01 4.36 -3.819513228e-01 -3.819513228e-01 4.38 -3.651086250e-01 -3.651086250e-01 4.40 -3.489409397e-01 -3.489409397e-01 4.42 -3.334271877e-01 -3.334271877e-01 4.44 -3.185412473e-01 -3.185412473e-01 4.46 -3.042534309e-01 -3.042534309e-01 4.48 -2.905316713e-01 -2.905316713e-01 4.50 -2.773423386e-01 -2.773423386e-01 4.52 -2.646507083e-01 -2.646507083e-01 4.54 -2.524211819e-01 -2.524211819e-01 4.56 -2.406174097e-01 -2.406174097e-01 4.58 -2.292024669e-01 -2.292024669e-01 4.60 -2.181392068e-01 -2.181392068e-01 4.62 -2.073908633e-01 -2.073908633e-01 4.64 -1.969219159e-01 -1.969219159e-01 4.66 -1.866991790e-01 -1.866991790e-01 4.68 -1.766930360e-01 -1.766930360e-01 4.70 -1.668787164e-01 -1.668787164e-01 4.72 -1.572375003e-01 -1.572375003e-01 4.74 -1.477577376e-01 -1.477577376e-01 4.76 -1.384355754e-01 -1.384355754e-01 4.78 -1.292753029e-01 -1.292753029e-01 4.80 -1.202892483e-01 -1.202892483e-01 4.82 -1.114971952e-01 -1.114971952e-01 4.84 -1.029253175e-01 -1.029253175e-01 4.86 -9.460469134e-02 -9.460469134e-02 4.88 -8.656946915e-02 -8.656946915e-02 4.90 -7.885484821e-02 -7.885484821e-02 4.92 -7.149498396e-02 -7.149498396e-02 4.94 -6.452100695e-02 -6.452100695e-02 4.96 -5.795928675e-02 -5.795928675e-02 4.98 -5.183007098e-02 -5.183007098e-02 5.00 -4.614656815e-02 -4.614656815e-02 5.02 -4.091450732e-02 -4.091450732e-02 5.04 -3.613217331e-02 -3.613217331e-02 5.06 -3.179086289e-02 -3.179086289e-02 5.08 -2.787595723e-02 -2.787595723e-02 5.10 -2.436754477e-02 -2.436754477e-02 5.12 -2.124125571e-02 -2.124125571e-02 5.14 -1.847005035e-02 -1.847005035e-02 5.16 -1.602529780e-02 -1.602529780e-02 5.18 -1.387752395e-02 -1.387752395e-02 5.20 -1.199797584e-02 -1.199797584e-02 5.22 -1.035886170e-02 -1.035886170e-02 5.24 -8.933728681e-03 -8.933728681e-03 5.26 -7.697844724e-03 -7.697844724e-03 5.28 -6.628428359e-03 -6.628428359e-03 5.30 -5.704755300e-03 -5.704755300e-03 5.32 -4.908169842e-03 -4.908169842e-03 5.34 -4.222026632e-03 -4.222026632e-03 5.36 -3.631584697e-03 -3.631584697e-03 5.38 -3.123871575e-03 -3.123871575e-03 5.40 -2.687531464e-03 -2.687531464e-03 5.42 -2.312667784e-03 -2.312667784e-03 5.44 -1.990687574e-03 -1.990687574e-03 5.46 -1.714152675e-03 -1.714152675e-03 5.48 -1.476640850e-03 -1.476640850e-03 5.50 -1.272618496e-03 -1.272618496e-03 5.52 -1.097325666e-03 -1.097325666e-03 5.54 -9.466733570e-04 -9.466733570e-04 5.56 -8.171525910e-04 -8.171525910e-04 5.58 -7.057545147e-04 -7.057545147e-04 5.60 -6.099006005e-04 -6.099006005e-04 5.62 -5.273819637e-04 -5.273819637e-04 5.64 -4.563068124e-04 -4.563068124e-04 5.66 -3.950550852e-04 -3.950550852e-04 5.68 -3.422393955e-04 -3.422393955e-04 5.70 -2.966714752e-04 -2.966714752e-04 5.72 -2.573333916e-04 -2.573333916e-04 5.74 -2.233528923e-04 -2.233528923e-04 5.76 -1.939823056e-04 -1.939823056e-04 5.78 -1.685804994e-04 -1.685804994e-04 5.80 -1.465974631e-04 -1.465974631e-04 5.82 -1.275611360e-04 -1.275611360e-04 5.84 -1.110661575e-04 -1.110661575e-04 5.86 -9.676426040e-05 -9.676426040e-05 5.88 -8.435606554e-05 -8.435606554e-05 5.90 -7.358407390e-05 -7.358407390e-05 5.92 -6.422667973e-05 -6.422667973e-05 5.94 -5.609305462e-05 -5.609305462e-05 5.96 -4.901877437e-05 -4.901877437e-05 5.98 -4.286207948e-05 -4.286207948e-05 6.00 -3.750067615e-05 -3.750067615e-05