# 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 = FeMo2W # 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 3.193570505e+02 3.193570505e+02 1.30 2.940394914e+02 2.940394914e+02 1.32 2.707431430e+02 2.707431430e+02 1.34 2.492816322e+02 2.492816322e+02 1.36 2.294819640e+02 2.294819640e+02 1.38 2.111871509e+02 2.111871509e+02 1.40 1.942592295e+02 1.942592295e+02 1.42 1.785805053e+02 1.785805053e+02 1.44 1.640519914e+02 1.640519914e+02 1.46 1.505897162e+02 1.505897162e+02 1.48 1.381205159e+02 1.381205159e+02 1.50 1.265786625e+02 1.265786625e+02 1.52 1.159038006e+02 1.159038006e+02 1.54 1.060399173e+02 1.060399173e+02 1.56 9.693479018e+01 9.693479018e+01 1.58 8.853946569e+01 8.853946569e+01 1.60 8.080759313e+01 8.080759313e+01 1.62 7.369467301e+01 7.369467301e+01 1.64 6.715739885e+01 6.715739885e+01 1.66 6.115325707e+01 6.115325707e+01 1.68 5.564044983e+01 5.564044983e+01 1.70 5.057809267e+01 5.057809267e+01 1.72 4.592658308e+01 4.592658308e+01 1.74 4.164804725e+01 4.164804725e+01 1.76 3.770681404e+01 3.770681404e+01 1.78 3.406989947e+01 3.406989947e+01 1.80 3.070751140e+01 3.070751140e+01 1.82 2.759407901e+01 2.759407901e+01 1.84 2.470793034e+01 2.470793034e+01 1.86 2.203507188e+01 2.203507188e+01 1.88 1.956120489e+01 1.956120489e+01 1.90 1.727344154e+01 1.727344154e+01 1.92 1.516085491e+01 1.516085491e+01 1.94 1.321365332e+01 1.321365332e+01 1.96 1.142253894e+01 1.142253894e+01 1.98 9.778305487e+00 9.778305487e+00 2.00 8.271650467e+00 8.271650467e+00 2.02 6.893137494e+00 6.893137494e+00 2.04 5.633243850e+00 5.633243850e+00 2.06 4.482450007e+00 4.482450007e+00 2.08 3.431354082e+00 3.431354082e+00 2.10 2.470811237e+00 2.470811237e+00 2.12 1.592099181e+00 1.592099181e+00 2.14 7.870979853e-01 7.870979853e-01 2.16 4.845567757e-02 4.845567757e-02 2.18 -6.302962653e-01 -6.302962653e-01 2.20 -1.254704471e+00 -1.254704471e+00 2.22 -1.829437884e+00 -1.829437884e+00 2.24 -2.358397755e+00 -2.358397755e+00 2.26 -2.844863190e+00 -2.844863190e+00 2.28 -3.291641050e+00 -3.291641050e+00 2.30 -3.701197268e+00 -3.701197268e+00 2.32 -4.075758054e+00 -4.075758054e+00 2.34 -4.417379361e+00 -4.417379361e+00 2.36 -4.727989274e+00 -4.727989274e+00 2.38 -5.009410529e+00 -5.009410529e+00 2.40 -5.263370514e+00 -5.263370514e+00 2.42 -5.491492783e+00 -5.491492783e+00 2.44 -5.695251089e+00 -5.695251089e+00 2.46 -5.876153928e+00 -5.876153928e+00 2.48 -6.035635840e+00 -6.035635840e+00 2.50 -6.175034457e+00 -6.175034457e+00 2.52 -6.295595499e+00 -6.295595499e+00 2.54 -6.398477006e+00 -6.398477006e+00 2.56 -6.484752961e+00 -6.484752961e+00 2.58 -6.555416717e+00 -6.555416717e+00 2.60 -6.611324557e+00 -6.611324557e+00 2.62 -6.652901319e+00 -6.652901319e+00 2.64 -6.680621455e+00 -6.680621455e+00 2.66 -6.695300634e+00 -6.695300634e+00 2.68 -6.697712829e+00 -6.697712829e+00 2.70 -6.688598604e+00 -6.688598604e+00 2.72 -6.668675986e+00 -6.668675986e+00 2.74 -6.638650001e+00 -6.638650001e+00 2.76 -6.599216500e+00 -6.599216500e+00 2.78 -6.550795350e+00 -6.550795350e+00 2.80 -6.493416412e+00 -6.493416412e+00 2.82 -6.427167167e+00 -6.427167167e+00 2.84 -6.352227412e+00 -6.352227412e+00 2.86 -6.268862809e+00 -6.268862809e+00 2.88 -6.177420358e+00 -6.177420358e+00 2.90 -6.078328877e+00 -6.078328877e+00 2.92 -5.972079873e+00 -5.972079873e+00 2.94 -5.859225855e+00 -5.859225855e+00 2.96 -5.740372693e+00 -5.740372693e+00 2.98 -5.616160374e+00 -5.616160374e+00 3.00 -5.487238372e+00 -5.487238372e+00 3.02 -5.354176308e+00 -5.354176308e+00 3.04 -5.217236733e+00 -5.217236733e+00 3.06 -5.076609363e+00 -5.076609363e+00 3.08 -4.932480318e+00 -4.932480318e+00 3.10 -4.785012098e+00 -4.785012098e+00 3.12 -4.634331288e+00 -4.634331288e+00 3.14 -4.480525178e+00 -4.480525178e+00 3.16 -4.323647118e+00 -4.323647118e+00 3.18 -4.163729375e+00 -4.163729375e+00 3.20 -4.000801573e+00 -4.000801573e+00 3.22 -3.834912641e+00 -3.834912641e+00 3.24 -3.666154291e+00 -3.666154291e+00 3.26 -3.494684360e+00 -3.494684360e+00 3.28 -3.320748659e+00 -3.320748659e+00 3.30 -3.144700132e+00 -3.144700132e+00 3.32 -2.967014182e+00 -2.967014182e+00 3.34 -2.788298848e+00 -2.788298848e+00 3.36 -2.609298358e+00 -2.609298358e+00 3.38 -2.430888457e+00 -2.430888457e+00 3.40 -2.254062121e+00 -2.254062121e+00 3.42 -2.079904831e+00 -2.079904831e+00 3.44 -1.909559664e+00 -1.909559664e+00 3.46 -1.744183823e+00 -1.744183823e+00 3.48 -1.584899681e+00 -1.584899681e+00 3.50 -1.432744598e+00 -1.432744598e+00 3.52 -1.288624307e+00 -1.288624307e+00 3.54 -1.153274462e+00 -1.153274462e+00 3.56 -1.027233892e+00 -1.027233892e+00 3.58 -9.108315404e-01 -9.108315404e-01 3.60 -8.041872965e-01 -8.041872965e-01 3.62 -7.072252401e-01 -7.072252401e-01 3.64 -6.196966586e-01 -6.196966586e-01 3.66 -5.412095260e-01 -5.412095260e-01 3.68 -4.712610850e-01 -4.712610850e-01 3.70 -4.092705455e-01 -4.092705455e-01 3.72 -3.546095714e-01 -3.546095714e-01 3.74 -3.066289933e-01 -3.066289933e-01 3.76 -2.646809048e-01 -2.646809048e-01 3.78 -2.281359148e-01 -2.281359148e-01 3.80 -1.963957684e-01 -1.963957684e-01 3.82 -1.689018398e-01 -1.689018398e-01 3.84 -1.451401460e-01 -1.451401460e-01 3.86 -1.246435733e-01 -1.246435733e-01 3.88 -1.069919728e-01 -1.069919728e-01 3.90 -9.181073672e-02 -9.181073672e-02 3.92 -7.876831150e-02 -7.876831150e-02 3.94 -6.757305856e-02 -6.757305856e-02 3.96 -5.796978042e-02 -5.796978042e-02 3.98 -4.973618652e-02 -4.973618652e-02 4.00 -4.267936743e-02 -4.267936743e-02 4.02 -3.663211475e-02 -3.663211475e-02 4.04 -3.145025342e-02 -3.145025342e-02 4.06 -2.700998740e-02 -2.700998740e-02 4.08 -2.320456395e-02 -2.320456395e-02 4.10 -1.994311080e-02 -1.994311080e-02 4.12 -1.714750094e-02 -1.714750094e-02 4.14 -1.475065936e-02 -1.475065936e-02 4.16 -1.269509473e-02 -1.269509473e-02 4.18 -1.093158781e-02 -1.093158781e-02 4.20 -9.418035209e-03 -9.418035209e-03 4.22 -8.118439529e-03 -8.118439529e-03 4.24 -7.002033275e-03 -7.002033275e-03 4.26 -6.042522567e-03 -6.042522567e-03 4.28 -5.217436632e-03 -5.217436632e-03 4.30 -4.507569812e-03 -4.507569812e-03 4.32 -3.896503888e-03 -3.896503888e-03 4.34 -3.370199772e-03 -3.370199772e-03 4.36 -2.916648859e-03 -2.916648859e-03 4.38 -2.525575544e-03 -2.525575544e-03 4.40 -2.188183536e-03 -2.188183536e-03 4.42 -1.896939578e-03 -1.896939578e-03 4.44 -1.645389088e-03 -1.645389088e-03 4.46 -1.427999021e-03 -1.427999021e-03 4.48 -1.240023904e-03 -1.240023904e-03 4.50 -1.077391638e-03 -1.077391638e-03 4.52 -9.366060928e-04 -9.366060928e-04 4.54 -8.146640358e-04 -8.146640358e-04 4.56 -7.089842342e-04 -7.089842342e-04 4.58 -6.173469400e-04 -6.173469400e-04 4.60 -5.378422105e-04 -5.378422105e-04 4.62 -4.688257555e-04 -4.688257555e-04 4.64 -4.088811988e-04 -4.088811988e-04 4.66 -3.567878052e-04 -3.567878052e-04 4.68 -3.114928695e-04 -3.114928695e-04 4.70 -2.720880809e-04 -2.720880809e-04 4.72 -2.377892807e-04 -2.377892807e-04 4.74 -2.079191167e-04 -2.079191167e-04 4.76 -1.818921720e-04 -1.818921720e-04 4.78 -1.592022074e-04 -1.592022074e-04 4.80 -1.394111960e-04 -1.394111960e-04 4.82 -1.221399924e-04 -1.221399924e-04 4.84 -1.070601417e-04 -1.070601417e-04 4.86 -9.388701214e-05 -9.388701214e-05 4.88 -8.237380100e-05 -8.237380100e-05 4.90 -7.230639285e-05 -7.230639285e-05 4.92 -6.349893247e-05 -6.349893247e-05 4.94 -5.579001028e-05 -5.579001028e-05 4.96 -4.903937408e-05 -4.903937408e-05 4.98 -4.312509286e-05 -4.312509286e-05 5.00 -3.794110918e-05 -3.794110918e-05 5.02 -3.339512582e-05 -3.339512582e-05 5.04 -2.940677996e-05 -2.940677996e-05 5.06 -2.590606507e-05 -2.590606507e-05 5.08 -2.283196600e-05 -2.283196600e-05 5.10 -2.013127808e-05 -2.013127808e-05 5.12 -1.775758463e-05 -1.775758463e-05 5.14 -1.567037137e-05 -1.567037137e-05 5.16 -1.383425891e-05 -1.383425891e-05 5.18 -1.221833726e-05 -1.221833726e-05 5.20 -1.079558846e-05 -1.079558846e-05 5.22 -9.542385503e-06 -9.542385503e-06 5.24 -8.438057155e-06 -8.438057155e-06 5.26 -7.464509882e-06 -7.464509882e-06 5.28 -6.605899191e-06 -6.605899191e-06 5.30 -5.848343809e-06 -5.848343809e-06 5.32 -5.179676981e-06 -5.179676981e-06 5.34 -4.589229972e-06 -4.589229972e-06 5.36 -4.067643507e-06 -4.067643507e-06 5.38 -3.606703463e-06 -3.606703463e-06 5.40 -3.199197639e-06 -3.199197639e-06 5.42 -2.838790824e-06 -2.838790824e-06 5.44 -2.519915793e-06 -2.519915793e-06 5.46 -2.237678140e-06 -2.237678140e-06 5.48 -1.987773169e-06 -1.987773169e-06 5.50 -1.766413268e-06 -1.766413268e-06 5.52 -1.570264431e-06 -1.570264431e-06 5.54 -1.396390728e-06 -1.396390728e-06 5.56 -1.242205741e-06 -1.242205741e-06 5.58 -1.105430030e-06 -1.105430030e-06 5.60 -9.840539089e-07 -9.840539089e-07 5.62 -8.763048160e-07 -8.763048160e-07 5.64 -7.806187279e-07 -7.806187279e-07 5.66 -6.956150879e-07 -6.956150879e-07 5.68 -6.200748164e-07 -6.200748164e-07 5.70 -5.529210123e-07 -5.529210123e-07 5.72 -4.932020109e-07 -4.932020109e-07 5.74 -4.400765040e-07 -4.400765040e-07 5.76 -3.928004655e-07 -3.928004655e-07 5.78 -3.507156593e-07 -3.507156593e-07 5.80 -3.132395337e-07 -3.132395337e-07 5.82 -2.798563318e-07 -2.798563318e-07 5.84 -2.501092678e-07 -2.501092678e-07 5.86 -2.235936400e-07 -2.235936400e-07 5.88 -1.999507641e-07 -1.999507641e-07 5.90 -1.788626291e-07 -1.788626291e-07 5.92 -1.600471863e-07 -1.600471863e-07 5.94 -1.432541960e-07 -1.432541960e-07 5.96 -1.282615634e-07 -1.282615634e-07 5.98 -1.148721060e-07 -1.148721060e-07 6.00 -1.029106998e-07 -1.029106998e-07