# 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 = MoNiPt2 # 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 3.179928168e+02 3.179928168e+02 1.30 2.961077954e+02 2.961077954e+02 1.32 2.756572947e+02 2.756572947e+02 1.34 2.565446839e+02 2.565446839e+02 1.36 2.386901211e+02 2.386901211e+02 1.38 2.220218764e+02 2.220218764e+02 1.40 2.064707398e+02 2.064707398e+02 1.42 1.919673146e+02 1.919673146e+02 1.44 1.784395325e+02 1.784395325e+02 1.46 1.658126960e+02 1.658126960e+02 1.48 1.540141572e+02 1.540141572e+02 1.50 1.429784373e+02 1.429784373e+02 1.52 1.326478313e+02 1.326478313e+02 1.54 1.229692026e+02 1.229692026e+02 1.56 1.138910785e+02 1.138910785e+02 1.58 1.053630979e+02 1.053630979e+02 1.60 9.733685858e+01 9.733685858e+01 1.62 8.976690011e+01 8.976690011e+01 1.64 8.261167103e+01 8.261167103e+01 1.66 7.583473167e+01 7.583473167e+01 1.68 6.940604331e+01 6.940604331e+01 1.70 6.330279224e+01 6.330279224e+01 1.72 5.750914666e+01 5.750914666e+01 1.74 5.201469416e+01 5.201469416e+01 1.76 4.681351230e+01 4.681351230e+01 1.78 4.190880007e+01 4.190880007e+01 1.80 3.739841118e+01 3.739841118e+01 1.82 3.328873251e+01 3.328873251e+01 1.84 2.955176268e+01 2.955176268e+01 1.86 2.616013027e+01 2.616013027e+01 1.88 2.308720835e+01 2.308720835e+01 1.90 2.030680398e+01 2.030680398e+01 1.92 1.779274556e+01 1.779274556e+01 1.94 1.551889293e+01 1.551889293e+01 1.96 1.345981319e+01 1.345981319e+01 1.98 1.159182697e+01 1.159182697e+01 2.00 9.893875270e+00 9.893875270e+00 2.02 8.347860702e+00 8.347860702e+00 2.04 6.938480741e+00 6.938480741e+00 2.06 5.652777502e+00 5.652777502e+00 2.08 4.479624155e+00 4.479624155e+00 2.10 3.409272810e+00 3.409272810e+00 2.12 2.433009663e+00 2.433009663e+00 2.14 1.542926100e+00 1.542926100e+00 2.16 7.317971483e-01 7.317971483e-01 2.18 -6.959649775e-03 -6.959649775e-03 2.20 -6.792863970e-01 -6.792863970e-01 2.22 -1.290487106e+00 -1.290487106e+00 2.24 -1.845251251e+00 -1.845251251e+00 2.26 -2.347701165e+00 -2.347701165e+00 2.28 -2.801457761e+00 -2.801457761e+00 2.30 -3.209719778e+00 -3.209719778e+00 2.32 -3.575352945e+00 -3.575352945e+00 2.34 -3.900982562e+00 -3.900982562e+00 2.36 -4.189079095e+00 -4.189079095e+00 2.38 -4.442026503e+00 -4.442026503e+00 2.40 -4.662169209e+00 -4.662169209e+00 2.42 -4.851840800e+00 -4.851840800e+00 2.44 -5.013380631e+00 -5.013380631e+00 2.46 -5.149142554e+00 -5.149142554e+00 2.48 -5.261496055e+00 -5.261496055e+00 2.50 -5.352816437e+00 -5.352816437e+00 2.52 -5.425457746e+00 -5.425457746e+00 2.54 -5.481872206e+00 -5.481872206e+00 2.56 -5.526194665e+00 -5.526194665e+00 2.58 -5.560405055e+00 -5.560405055e+00 2.60 -5.585602344e+00 -5.585602344e+00 2.62 -5.602643933e+00 -5.602643933e+00 2.64 -5.612142147e+00 -5.612142147e+00 2.66 -5.614504872e+00 -5.614504872e+00 2.68 -5.609999383e+00 -5.609999383e+00 2.70 -5.598815451e+00 -5.598815451e+00 2.72 -5.581070552e+00 -5.581070552e+00 2.74 -5.556798198e+00 -5.556798198e+00 2.76 -5.526071262e+00 -5.526071262e+00 2.78 -5.489009444e+00 -5.489009444e+00 2.80 -5.445765541e+00 -5.445765541e+00 2.82 -5.396515646e+00 -5.396515646e+00 2.84 -5.341436598e+00 -5.341436598e+00 2.86 -5.280612986e+00 -5.280612986e+00 2.88 -5.214148937e+00 -5.214148937e+00 2.90 -5.142237609e+00 -5.142237609e+00 2.92 -5.065177254e+00 -5.065177254e+00 2.94 -4.983380732e+00 -4.983380732e+00 2.96 -4.897372010e+00 -4.897372010e+00 2.98 -4.807765290e+00 -4.807765290e+00 3.00 -4.715226908e+00 -4.715226908e+00 3.02 -4.620425668e+00 -4.620425668e+00 3.04 -4.523981452e+00 -4.523981452e+00 3.06 -4.426422801e+00 -4.426422801e+00 3.08 -4.328161034e+00 -4.328161034e+00 3.10 -4.229483393e+00 -4.229483393e+00 3.12 -4.130562512e+00 -4.130562512e+00 3.14 -4.031476718e+00 -4.031476718e+00 3.16 -3.932235101e+00 -3.932235101e+00 3.18 -3.832802726e+00 -3.832802726e+00 3.20 -3.733123154e+00 -3.733123154e+00 3.22 -3.633137231e+00 -3.633137231e+00 3.24 -3.532798174e+00 -3.532798174e+00 3.26 -3.432083490e+00 -3.432083490e+00 3.28 -3.331004286e+00 -3.331004286e+00 3.30 -3.229612312e+00 -3.229612312e+00 3.32 -3.128005023e+00 -3.128005023e+00 3.34 -3.026424135e+00 -3.026424135e+00 3.36 -2.925382174e+00 -2.925382174e+00 3.38 -2.825420309e+00 -2.825420309e+00 3.40 -2.727057503e+00 -2.727057503e+00 3.42 -2.630777719e+00 -2.630777719e+00 3.44 -2.537015619e+00 -2.537015619e+00 3.46 -2.446142887e+00 -2.446142887e+00 3.48 -2.358457106e+00 -2.358457106e+00 3.50 -2.274174721e+00 -2.274174721e+00 3.52 -2.193428920e+00 -2.193428920e+00 3.54 -2.116272518e+00 -2.116272518e+00 3.56 -2.042685247e+00 -2.042685247e+00 3.58 -1.972584341e+00 -1.972584341e+00 3.60 -1.905837055e+00 -1.905837055e+00 3.62 -1.842273789e+00 -1.842273789e+00 3.64 -1.781700682e+00 -1.781700682e+00 3.66 -1.723910877e+00 -1.723910877e+00 3.68 -1.668694009e+00 -1.668694009e+00 3.70 -1.615843777e+00 -1.615843777e+00 3.72 -1.565163698e+00 -1.565163698e+00 3.74 -1.516471235e+00 -1.516471235e+00 3.76 -1.469600572e+00 -1.469600572e+00 3.78 -1.424404256e+00 -1.424404256e+00 3.80 -1.380753864e+00 -1.380753864e+00 3.82 -1.338539794e+00 -1.338539794e+00 3.84 -1.297670232e+00 -1.297670232e+00 3.86 -1.258069365e+00 -1.258069365e+00 3.88 -1.219674936e+00 -1.219674936e+00 3.90 -1.182435352e+00 -1.182435352e+00 3.92 -1.146306647e+00 -1.146306647e+00 3.94 -1.111249636e+00 -1.111249636e+00 3.96 -1.077227600e+00 -1.077227600e+00 3.98 -1.044204778e+00 -1.044204778e+00 4.00 -1.012145733e+00 -1.012145733e+00 4.02 -9.810155675e-01 -9.810155675e-01 4.04 -9.507807754e-01 -9.507807754e-01 4.06 -9.214104323e-01 -9.214104323e-01 4.08 -8.928774085e-01 -8.928774085e-01 4.10 -8.651592882e-01 -8.651592882e-01 4.12 -8.382388003e-01 -8.382388003e-01 4.14 -8.121035118e-01 -8.121035118e-01 4.16 -7.867449008e-01 -7.867449008e-01 4.18 -7.621567850e-01 -7.621567850e-01 4.20 -7.383333451e-01 -7.383333451e-01 4.22 -7.152670067e-01 -7.152670067e-01 4.24 -6.929464731e-01 -6.929464731e-01 4.26 -6.713551741e-01 -6.713551741e-01 4.28 -6.504703142e-01 -6.504703142e-01 4.30 -6.302625877e-01 -6.302625877e-01 4.32 -6.106965159e-01 -6.106965159e-01 4.34 -5.917312676e-01 -5.917312676e-01 4.36 -5.733217757e-01 -5.733217757e-01 4.38 -5.554199559e-01 -5.554199559e-01 4.40 -5.379758623e-01 -5.379758623e-01 4.42 -5.209386680e-01 -5.209386680e-01 4.44 -5.042574154e-01 -5.042574154e-01 4.46 -4.878815374e-01 -4.878815374e-01 4.48 -4.717611927e-01 -4.717611927e-01 4.50 -4.558474915e-01 -4.558474915e-01 4.52 -4.400926993e-01 -4.400926993e-01 4.54 -4.244505146e-01 -4.244505146e-01 4.56 -4.088765028e-01 -4.088765028e-01 4.58 -3.933287511e-01 -3.933287511e-01 4.60 -3.777687817e-01 -3.777687817e-01 4.62 -3.621627808e-01 -3.621627808e-01 4.64 -3.464830266e-01 -3.464830266e-01 4.66 -3.307095387e-01 -3.307095387e-01 4.68 -3.148323535e-01 -3.148323535e-01 4.70 -2.988534303e-01 -2.988534303e-01 4.72 -2.827851408e-01 -2.827851408e-01 4.74 -2.666544241e-01 -2.666544241e-01 4.76 -2.505034017e-01 -2.505034017e-01 4.78 -2.343890592e-01 -2.343890592e-01 4.80 -2.183821106e-01 -2.183821106e-01 4.82 -2.025649446e-01 -2.025649446e-01 4.84 -1.870286408e-01 -1.870286408e-01 4.86 -1.718691993e-01 -1.718691993e-01 4.88 -1.571832159e-01 -1.571832159e-01 4.90 -1.430633500e-01 -1.430633500e-01 4.92 -1.295939733e-01 -1.295939733e-01 4.94 -1.168473825e-01 -1.168473825e-01 4.96 -1.048808887e-01 -1.048808887e-01 4.98 -9.373499091e-02 -9.373499091e-02 5.00 -8.343270209e-02 -8.343270209e-02 5.02 -7.397996835e-02 -7.397996835e-02 5.04 -6.536701272e-02 -6.536701272e-02 5.06 -5.757036728e-02 -5.757036728e-02 5.08 -5.055533036e-02 -5.055533036e-02 5.10 -4.427859608e-02 -4.427859608e-02 5.12 -3.869084191e-02 -3.869084191e-02 5.14 -3.373912050e-02 -3.373912050e-02 5.16 -2.936892939e-02 -2.936892939e-02 5.18 -2.552592405e-02 -2.552592405e-02 5.20 -2.215725384e-02 -2.215725384e-02 5.22 -1.921256534e-02 -1.921256534e-02 5.24 -1.664467609e-02 -1.664467609e-02 5.26 -1.440986167e-02 -1.440986167e-02 5.28 -1.246791177e-02 -1.246791177e-02 5.30 -1.078312624e-02 -1.078312624e-02 5.32 -9.323396483e-03 -9.323396483e-03 5.34 -8.060007258e-03 -8.060007258e-03 5.36 -6.967464081e-03 -6.967464081e-03 5.38 -6.023266219e-03 -6.023266219e-03 5.40 -5.207651884e-03 -5.207651884e-03 5.42 -4.503334457e-03 -4.503334457e-03 5.44 -3.895242441e-03 -3.895242441e-03 5.46 -3.370271344e-03 -3.370271344e-03 5.48 -2.917052370e-03 -2.917052370e-03 5.50 -2.525740476e-03 -2.525740476e-03 5.52 -2.187822702e-03 -2.187822702e-03 5.54 -1.895946623e-03 -1.895946623e-03 5.56 -1.643768046e-03 -1.643768046e-03 5.58 -1.425816670e-03 -1.425816670e-03 5.60 -1.237378242e-03 -1.237378242e-03 5.62 -1.074391593e-03 -1.074391593e-03 5.64 -9.333590232e-04 -9.333590232e-04 5.66 -8.112685080e-04 -8.112685080e-04 5.68 -7.055263368e-04 -7.055263368e-04 5.70 -6.138988906e-04 -6.138988906e-04 5.72 -5.344623995e-04 -5.344623995e-04 5.74 -4.655596400e-04 -4.655596400e-04 5.76 -4.057626488e-04 -4.057626488e-04 5.78 -3.538406441e-04 -3.538406441e-04 5.80 -3.087324410e-04 -3.087324410e-04 5.82 -2.695227436e-04 -2.695227436e-04 5.84 -2.354217720e-04 -2.354217720e-04 5.86 -2.057477611e-04 -2.057477611e-04 5.88 -1.799119244e-04 -1.799119244e-04 5.90 -1.574055376e-04 -1.574055376e-04 5.92 -1.377888404e-04 -1.377888404e-04 5.94 -1.206815007e-04 -1.206815007e-04 5.96 -1.057544173e-04 -1.057544173e-04 5.98 -9.272267382e-05 -9.272267382e-05 6.00 -8.133947774e-05 -8.133947774e-05