# 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 = CoFe2Mo # 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 2.008346158e+02 2.008346158e+02 1.30 1.836254212e+02 1.836254212e+02 1.32 1.678467377e+02 1.678467377e+02 1.34 1.533675336e+02 1.533675336e+02 1.36 1.400698571e+02 1.400698571e+02 1.38 1.278484957e+02 1.278484957e+02 1.40 1.166103094e+02 1.166103094e+02 1.42 1.062732310e+02 1.062732310e+02 1.44 9.676484147e+01 9.676484147e+01 1.46 8.802079175e+01 8.802079175e+01 1.48 7.998344101e+01 7.998344101e+01 1.50 7.260067526e+01 7.260067526e+01 1.52 6.582469408e+01 6.582469408e+01 1.54 5.961088768e+01 5.961088768e+01 1.56 5.391711341e+01 5.391711341e+01 1.58 4.870341338e+01 4.870341338e+01 1.60 4.393195785e+01 4.393195785e+01 1.62 3.956701704e+01 3.956701704e+01 1.64 3.557490447e+01 3.557490447e+01 1.66 3.192397370e+01 3.192397370e+01 1.68 2.858692787e+01 2.858692787e+01 1.70 2.553766845e+01 2.553766845e+01 1.72 2.275125130e+01 2.275125130e+01 1.74 2.020396998e+01 2.020396998e+01 1.76 1.787401709e+01 1.787401709e+01 1.78 1.574152853e+01 1.574152853e+01 1.80 1.378866030e+01 1.378866030e+01 1.82 1.199964191e+01 1.199964191e+01 1.84 1.036073391e+01 1.036073391e+01 1.86 8.860058580e+00 8.860058580e+00 1.88 7.487309954e+00 7.487309954e+00 1.90 6.233381664e+00 6.233381664e+00 1.92 5.089980348e+00 5.089980348e+00 1.94 4.049301688e+00 4.049301688e+00 1.96 3.103821661e+00 3.103821661e+00 1.98 2.246211640e+00 2.246211640e+00 2.00 1.469349991e+00 1.469349991e+00 2.02 7.663870117e-01 7.663870117e-01 2.04 1.308204101e-01 1.308204101e-01 2.06 -4.434475482e-01 -4.434475482e-01 2.08 -9.620793448e-01 -9.620793448e-01 2.10 -1.430291235e+00 -1.430291235e+00 2.12 -1.852851296e+00 -1.852851296e+00 2.14 -2.234079049e+00 -2.234079049e+00 2.16 -2.577845475e+00 -2.577845475e+00 2.18 -2.887578405e+00 -2.887578405e+00 2.20 -3.166280974e+00 -3.166280974e+00 2.22 -3.416567979e+00 -3.416567979e+00 2.24 -3.640718109e+00 -3.640718109e+00 2.26 -3.840733980e+00 -3.840733980e+00 2.28 -4.018400177e+00 -4.018400177e+00 2.30 -4.175187319e+00 -4.175187319e+00 2.32 -4.312613218e+00 -4.312613218e+00 2.34 -4.432291202e+00 -4.432291202e+00 2.36 -4.535671581e+00 -4.535671581e+00 2.38 -4.624070224e+00 -4.624070224e+00 2.40 -4.698689133e+00 -4.698689133e+00 2.42 -4.760627148e+00 -4.760627148e+00 2.44 -4.810716966e+00 -4.810716966e+00 2.46 -4.849566687e+00 -4.849566687e+00 2.48 -4.877848734e+00 -4.877848734e+00 2.50 -4.896169614e+00 -4.896169614e+00 2.52 -4.905145075e+00 -4.905145075e+00 2.54 -4.905409690e+00 -4.905409690e+00 2.56 -4.897604385e+00 -4.897604385e+00 2.58 -4.882364288e+00 -4.882364288e+00 2.60 -4.860304922e+00 -4.860304922e+00 2.62 -4.831969441e+00 -4.831969441e+00 2.64 -4.797789642e+00 -4.797789642e+00 2.66 -4.758136558e+00 -4.758136558e+00 2.68 -4.713336564e+00 -4.713336564e+00 2.70 -4.663679498e+00 -4.663679498e+00 2.72 -4.609424891e+00 -4.609424891e+00 2.74 -4.550810521e+00 -4.550810521e+00 2.76 -4.488060888e+00 -4.488060888e+00 2.78 -4.421363904e+00 -4.421363904e+00 2.80 -4.350648257e+00 -4.350648257e+00 2.82 -4.275773032e+00 -4.275773032e+00 2.84 -4.196688663e+00 -4.196688663e+00 2.86 -4.113435875e+00 -4.113435875e+00 2.88 -4.026141371e+00 -4.026141371e+00 2.90 -3.935010919e+00 -3.935010919e+00 2.92 -3.840319567e+00 -3.840319567e+00 2.94 -3.742399238e+00 -3.742399238e+00 2.96 -3.641624261e+00 -3.641624261e+00 2.98 -3.538395482e+00 -3.538395482e+00 3.00 -3.433123560e+00 -3.433123560e+00 3.02 -3.326212045e+00 -3.326212045e+00 3.04 -3.218041107e+00 -3.218041107e+00 3.06 -3.108953293e+00 -3.108953293e+00 3.08 -2.999243207e+00 -2.999243207e+00 3.10 -2.889153157e+00 -2.889153157e+00 3.12 -2.778876136e+00 -2.778876136e+00 3.14 -2.668566089e+00 -2.668566089e+00 3.16 -2.558353811e+00 -2.558353811e+00 3.18 -2.448365640e+00 -2.448365640e+00 3.20 -2.338741738e+00 -2.338741738e+00 3.22 -2.229651162e+00 -2.229651162e+00 3.24 -2.121301796e+00 -2.121301796e+00 3.26 -2.013944270e+00 -2.013944270e+00 3.28 -1.907869994e+00 -1.907869994e+00 3.30 -1.803404228e+00 -1.803404228e+00 3.32 -1.700895689e+00 -1.700895689e+00 3.34 -1.600704419e+00 -1.600704419e+00 3.36 -1.503189481e+00 -1.503189481e+00 3.38 -1.408697672e+00 -1.408697672e+00 3.40 -1.317553848e+00 -1.317553848e+00 3.42 -1.230052925e+00 -1.230052925e+00 3.44 -1.146453263e+00 -1.146453263e+00 3.46 -1.066971043e+00 -1.066971043e+00 3.48 -9.917754173e-01 -9.917754173e-01 3.50 -9.209844655e-01 -9.209844655e-01 3.52 -8.546622863e-01 -8.546622863e-01 3.54 -7.928176737e-01 -7.928176737e-01 3.56 -7.354048001e-01 -7.354048001e-01 3.58 -6.823261224e-01 -6.823261224e-01 3.60 -6.334374442e-01 -6.334374442e-01 3.62 -5.885547838e-01 -5.885547838e-01 3.64 -5.474624827e-01 -5.474624827e-01 3.66 -5.099218946e-01 -5.099218946e-01 3.68 -4.756800049e-01 -4.756800049e-01 3.70 -4.444774325e-01 -4.444774325e-01 3.72 -4.160554266e-01 -4.160554266e-01 3.74 -3.901615874e-01 -3.901615874e-01 3.76 -3.665541922e-01 -3.665541922e-01 3.78 -3.450058865e-01 -3.450058865e-01 3.80 -3.253053000e-01 -3.253053000e-01 3.82 -3.072580833e-01 -3.072580833e-01 3.84 -2.906872289e-01 -2.906872289e-01 3.86 -2.754327730e-01 -2.754327730e-01 3.88 -2.613510592e-01 -2.613510592e-01 3.90 -2.483137087e-01 -2.483137087e-01 3.92 -2.362064221e-01 -2.362064221e-01 3.94 -2.249277036e-01 -2.249277036e-01 3.96 -2.143875809e-01 -2.143875809e-01 3.98 -2.045063721e-01 -2.045063721e-01 4.00 -1.952135373e-01 -1.952135373e-01 4.02 -1.864466403e-01 -1.864466403e-01 4.04 -1.781504397e-01 -1.781504397e-01 4.06 -1.702761187e-01 -1.702761187e-01 4.08 -1.627806607e-01 -1.627806607e-01 4.10 -1.556263707e-01 -1.556263707e-01 4.12 -1.487805347e-01 -1.487805347e-01 4.14 -1.422152010e-01 -1.422152010e-01 4.16 -1.359070569e-01 -1.359070569e-01 4.18 -1.298373536e-01 -1.298373536e-01 4.20 -1.239918222e-01 -1.239918222e-01 4.22 -1.183605140e-01 -1.183605140e-01 4.24 -1.129374935e-01 -1.129374935e-01 4.26 -1.077203244e-01 -1.077203244e-01 4.28 -1.027093285e-01 -1.027093285e-01 4.30 -9.790663895e-02 -9.790663895e-02 4.32 -9.331511234e-02 -9.331511234e-02 4.34 -8.893721899e-02 -8.893721899e-02 4.36 -8.477393598e-02 -8.477393598e-02 4.38 -8.082405444e-02 -8.082405444e-02 4.40 -7.708409253e-02 -7.708409253e-02 4.42 -7.354779570e-02 -7.354779570e-02 4.44 -7.020632496e-02 -7.020632496e-02 4.46 -6.704868515e-02 -6.704868515e-02 4.48 -6.406227718e-02 -6.406227718e-02 4.50 -6.123348016e-02 -6.123348016e-02 4.52 -5.854819070e-02 -5.854819070e-02 4.54 -5.599227458e-02 -5.599227458e-02 4.56 -5.355191232e-02 -5.355191232e-02 4.58 -5.121384069e-02 -5.121384069e-02 4.60 -4.896550562e-02 -4.896550562e-02 4.62 -4.679514827e-02 -4.679514827e-02 4.64 -4.469184827e-02 -4.469184827e-02 4.66 -4.264554617e-02 -4.264554617e-02 4.68 -4.064706458e-02 -4.064706458e-02 4.70 -3.868814311e-02 -3.868814311e-02 4.72 -3.676149820e-02 -3.676149820e-02 4.74 -3.486091398e-02 -3.486091398e-02 4.76 -3.298136565e-02 -3.298136565e-02 4.78 -3.111917067e-02 -3.111917067e-02 4.80 -2.927215487e-02 -2.927215487e-02 4.82 -2.743981888e-02 -2.743981888e-02 4.84 -2.562347731e-02 -2.562347731e-02 4.86 -2.382634204e-02 -2.382634204e-02 4.88 -2.205351733e-02 -2.205351733e-02 4.90 -2.031187874e-02 -2.031187874e-02 4.92 -1.860981638e-02 -1.860981638e-02 4.94 -1.695683934e-02 -1.695683934e-02 4.96 -1.536277423e-02 -1.536277423e-02 4.98 -1.383755859e-02 -1.383755859e-02 5.00 -1.239089786e-02 -1.239089786e-02 5.02 -1.103122761e-02 -1.103122761e-02 5.04 -9.765216037e-03 -9.765216037e-03 5.06 -8.597420849e-03 -8.597420849e-03 5.08 -7.530126778e-03 -7.530126778e-03 5.10 -6.563364365e-03 -6.563364365e-03 5.12 -5.695087239e-03 -5.695087239e-03 5.14 -4.921468469e-03 -4.921468469e-03 5.16 -4.237269105e-03 -4.237269105e-03 5.18 -3.636233002e-03 -3.636233002e-03 5.20 -3.111469374e-03 -3.111469374e-03 5.22 -2.655795230e-03 -2.655795230e-03 5.24 -2.262021213e-03 -2.262021213e-03 5.26 -1.923174389e-03 -1.923174389e-03 5.28 -1.632659241e-03 -1.632659241e-03 5.30 -1.384363140e-03 -1.384363140e-03 5.32 -1.172715265e-03 -1.172715265e-03 5.34 -9.927087789e-04 -9.927087789e-04 5.36 -8.398956761e-04 -8.398956761e-04 5.38 -7.103625780e-04 -7.103625780e-04 5.40 -6.006943349e-04 -6.006943349e-04 5.42 -5.079307894e-04 -5.079307894e-04 5.44 -4.295206939e-04 -4.295206939e-04 5.46 -3.632756132e-04 -3.632756132e-04 5.48 -3.073256968e-04 -3.073256968e-04 5.50 -2.600784838e-04 -2.600784838e-04 5.52 -2.201813652e-04 -2.201813652e-04 5.54 -1.864879493e-04 -1.864879493e-04 5.56 -1.580283182e-04 -1.580283182e-04 5.58 -1.339829961e-04 -1.339829961e-04 5.60 -1.136603586e-04 -1.136603586e-04 5.62 -9.647715776e-05 -9.647715776e-05 5.64 -8.194182681e-05 -8.194182681e-05 5.66 -6.964022988e-05 -6.964022988e-05 5.68 -5.922354338e-05 -5.922354338e-05 5.70 -5.039798002e-05 -5.039798002e-05 5.72 -4.291609586e-05 -4.291609586e-05 5.74 -3.656945052e-05 -3.656945052e-05 5.76 -3.118241887e-05 -3.118241887e-05 5.78 -2.660697991e-05 -2.660697991e-05 5.80 -2.271833218e-05 -2.271833218e-05 5.82 -1.941120707e-05 -1.941120707e-05 5.84 -1.659677024e-05 -1.659677024e-05 5.86 -1.420001806e-05 -1.420001806e-05 5.88 -1.215759026e-05 -1.215759026e-05 5.90 -1.041593222e-05 -1.041593222e-05 5.92 -8.929750920e-06 -8.929750920e-06 5.94 -7.660717240e-06 -7.660717240e-06 5.96 -6.576375151e-06 -6.576375151e-06 5.98 -5.649224410e-06 -5.649224410e-06 6.00 -4.855948895e-06 -4.855948895e-06