# 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 = CuMoZr2 # 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 2.880772115e+02 2.880772115e+02 1.30 2.671965362e+02 2.671965362e+02 1.32 2.478599245e+02 2.478599245e+02 1.34 2.299402923e+02 2.299402923e+02 1.36 2.133198602e+02 2.133198602e+02 1.38 1.978910819e+02 1.978910819e+02 1.40 1.835571624e+02 1.835571624e+02 1.42 1.702311054e+02 1.702311054e+02 1.44 1.578340424e+02 1.578340424e+02 1.46 1.462942540e+02 1.462942540e+02 1.48 1.355470006e+02 1.355470006e+02 1.50 1.255341723e+02 1.255341723e+02 1.52 1.162034614e+02 1.162034614e+02 1.54 1.075074464e+02 1.075074464e+02 1.56 9.940303663e+01 9.940303663e+01 1.58 9.185130389e+01 9.185130389e+01 1.60 8.481715652e+01 8.481715652e+01 1.62 7.826854319e+01 7.826854319e+01 1.64 7.217539903e+01 7.217539903e+01 1.66 6.650877655e+01 6.650877655e+01 1.68 6.124043534e+01 6.124043534e+01 1.70 5.634298155e+01 5.634298155e+01 1.72 5.179015829e+01 5.179015829e+01 1.74 4.755712827e+01 4.755712827e+01 1.76 4.362060063e+01 4.362060063e+01 1.78 3.995887693e+01 3.995887693e+01 1.80 3.655178109e+01 3.655178109e+01 1.82 3.338058730e+01 3.338058730e+01 1.84 3.042783592e+01 3.042783592e+01 1.86 2.767734477e+01 2.767734477e+01 1.88 2.511429291e+01 2.511429291e+01 1.90 2.272533167e+01 2.272533167e+01 1.92 2.049889511e+01 2.049889511e+01 1.94 1.842510528e+01 1.842510528e+01 1.96 1.649456607e+01 1.649456607e+01 1.98 1.469989633e+01 1.469989633e+01 2.00 1.303272138e+01 1.303272138e+01 2.02 1.148493060e+01 1.148493060e+01 2.04 1.004885069e+01 1.004885069e+01 2.06 8.717109404e+00 8.717109404e+00 2.08 7.482557357e+00 7.482557357e+00 2.10 6.338249092e+00 6.338249092e+00 2.12 5.277503742e+00 5.277503742e+00 2.14 4.294006624e+00 4.294006624e+00 2.16 3.381939913e+00 3.381939913e+00 2.18 2.536048709e+00 2.536048709e+00 2.20 1.751641079e+00 1.751641079e+00 2.22 1.024501165e+00 1.024501165e+00 2.24 3.507979582e-01 3.507979582e-01 2.26 -2.729807725e-01 -2.729807725e-01 2.28 -8.500769636e-01 -8.500769636e-01 2.30 -1.383451851e+00 -1.383451851e+00 2.32 -1.875846606e+00 -1.875846606e+00 2.34 -2.329763783e+00 -2.329763783e+00 2.36 -2.747532246e+00 -2.747532246e+00 2.38 -3.131332862e+00 -3.131332862e+00 2.40 -3.483230832e+00 -3.483230832e+00 2.42 -3.805212930e+00 -3.805212930e+00 2.44 -4.099205370e+00 -4.099205370e+00 2.46 -4.367094508e+00 -4.367094508e+00 2.48 -4.610722386e+00 -4.610722386e+00 2.50 -4.831867436e+00 -4.831867436e+00 2.52 -5.032214627e+00 -5.032214627e+00 2.54 -5.213323788e+00 -5.213323788e+00 2.56 -5.376605105e+00 -5.376605105e+00 2.58 -5.523309478e+00 -5.523309478e+00 2.60 -5.654537569e+00 -5.654537569e+00 2.62 -5.771260867e+00 -5.771260867e+00 2.64 -5.874373757e+00 -5.874373757e+00 2.66 -5.964696584e+00 -5.964696584e+00 2.68 -6.043022057e+00 -6.043022057e+00 2.70 -6.110122999e+00 -6.110122999e+00 2.72 -6.166754989e+00 -6.166754989e+00 2.74 -6.213716319e+00 -6.213716319e+00 2.76 -6.251745409e+00 -6.251745409e+00 2.78 -6.281375750e+00 -6.281375750e+00 2.80 -6.303118876e+00 -6.303118876e+00 2.82 -6.317442368e+00 -6.317442368e+00 2.84 -6.324783656e+00 -6.324783656e+00 2.86 -6.325552521e+00 -6.325552521e+00 2.88 -6.320063014e+00 -6.320063014e+00 2.90 -6.308690219e+00 -6.308690219e+00 2.92 -6.291747888e+00 -6.291747888e+00 2.94 -6.269390395e+00 -6.269390395e+00 2.96 -6.241798402e+00 -6.241798402e+00 2.98 -6.209178434e+00 -6.209178434e+00 3.00 -6.171748405e+00 -6.171748405e+00 3.02 -6.129724767e+00 -6.129724767e+00 3.04 -6.083308873e+00 -6.083308873e+00 3.06 -6.032697183e+00 -6.032697183e+00 3.08 -5.978070245e+00 -5.978070245e+00 3.10 -5.919615420e+00 -5.919615420e+00 3.12 -5.857159966e+00 -5.857159966e+00 3.14 -5.790578498e+00 -5.790578498e+00 3.16 -5.719798754e+00 -5.719798754e+00 3.18 -5.644813009e+00 -5.644813009e+00 3.20 -5.565666042e+00 -5.565666042e+00 3.22 -5.482449864e+00 -5.482449864e+00 3.24 -5.395301002e+00 -5.395301002e+00 3.26 -5.304408994e+00 -5.304408994e+00 3.28 -5.210023391e+00 -5.210023391e+00 3.30 -5.112437841e+00 -5.112437841e+00 3.32 -5.011987300e+00 -5.011987300e+00 3.34 -4.909043739e+00 -4.909043739e+00 3.36 -4.804008344e+00 -4.804008344e+00 3.38 -4.697301945e+00 -4.697301945e+00 3.40 -4.589353855e+00 -4.589353855e+00 3.42 -4.480601064e+00 -4.480601064e+00 3.44 -4.371469836e+00 -4.371469836e+00 3.46 -4.262377652e+00 -4.262377652e+00 3.48 -4.153724370e+00 -4.153724370e+00 3.50 -4.045884865e+00 -4.045884865e+00 3.52 -3.939201228e+00 -3.939201228e+00 3.54 -3.833975333e+00 -3.833975333e+00 3.56 -3.730462747e+00 -3.730462747e+00 3.58 -3.628868821e+00 -3.628868821e+00 3.60 -3.529347444e+00 -3.529347444e+00 3.62 -3.432002541e+00 -3.432002541e+00 3.64 -3.336892096e+00 -3.336892096e+00 3.66 -3.244034213e+00 -3.244034213e+00 3.68 -3.153414679e+00 -3.153414679e+00 3.70 -3.064995454e+00 -3.064995454e+00 3.72 -2.978723559e+00 -2.978723559e+00 3.74 -2.894539877e+00 -2.894539877e+00 3.76 -2.812387374e+00 -2.812387374e+00 3.78 -2.732218221e+00 -2.732218221e+00 3.80 -2.653999252e+00 -2.653999252e+00 3.82 -2.577715165e+00 -2.577715165e+00 3.84 -2.503368989e+00 -2.503368989e+00 3.86 -2.430979566e+00 -2.430979566e+00 3.88 -2.360576259e+00 -2.360576259e+00 3.90 -2.292191590e+00 -2.292191590e+00 3.92 -2.225849383e+00 -2.225849383e+00 3.94 -2.161572261e+00 -2.161572261e+00 3.96 -2.099351810e+00 -2.099351810e+00 3.98 -2.039162416e+00 -2.039162416e+00 4.00 -1.980956581e+00 -1.980956581e+00 4.02 -1.924667299e+00 -1.924667299e+00 4.04 -1.870212181e+00 -1.870212181e+00 4.06 -1.817498409e+00 -1.817498409e+00 4.08 -1.766427673e+00 -1.766427673e+00 4.10 -1.716892304e+00 -1.716892304e+00 4.12 -1.668813269e+00 -1.668813269e+00 4.14 -1.622088282e+00 -1.622088282e+00 4.16 -1.576631790e+00 -1.576631790e+00 4.18 -1.532365773e+00 -1.532365773e+00 4.20 -1.489220219e+00 -1.489220219e+00 4.22 -1.447133285e+00 -1.447133285e+00 4.24 -1.406051272e+00 -1.406051272e+00 4.26 -1.365928522e+00 -1.365928522e+00 4.28 -1.326727297e+00 -1.326727297e+00 4.30 -1.288417640e+00 -1.288417640e+00 4.32 -1.250977204e+00 -1.250977204e+00 4.34 -1.214390996e+00 -1.214390996e+00 4.36 -1.178650950e+00 -1.178650950e+00 4.38 -1.143755283e+00 -1.143755283e+00 4.40 -1.109707563e+00 -1.109707563e+00 4.42 -1.076515484e+00 -1.076515484e+00 4.44 -1.044189367e+00 -1.044189367e+00 4.46 -1.012740484e+00 -1.012740484e+00 4.48 -9.821793253e-01 -9.821793253e-01 4.50 -9.525139650e-01 -9.525139650e-01 4.52 -9.237486708e-01 -9.237486708e-01 4.54 -8.958828881e-01 -8.958828881e-01 4.56 -8.689106656e-01 -8.689106656e-01 4.58 -8.428205337e-01 -8.428205337e-01 4.60 -8.175957957e-01 -8.175957957e-01 4.62 -7.932151410e-01 -7.932151410e-01 4.64 -7.696534760e-01 -7.696534760e-01 4.66 -7.468828577e-01 -7.468828577e-01 4.68 -7.248734346e-01 -7.248734346e-01 4.70 -7.035943187e-01 -7.035943187e-01 4.72 -6.830143387e-01 -6.830143387e-01 4.74 -6.631026508e-01 -6.631026508e-01 4.76 -6.438292013e-01 -6.438292013e-01 4.78 -6.251650497e-01 -6.251650497e-01 4.80 -6.070763672e-01 -6.070763672e-01 4.82 -5.895504083e-01 -5.895504083e-01 4.84 -5.725549689e-01 -5.725549689e-01 4.86 -5.560667257e-01 -5.560667257e-01 4.88 -5.400636850e-01 -5.400636850e-01 4.90 -5.245250852e-01 -5.245250852e-01 4.92 -5.094312841e-01 -5.094312841e-01 4.94 -4.947636411e-01 -4.947636411e-01 4.96 -4.805043997e-01 -4.805043997e-01 4.98 -4.666365748e-01 -4.666365748e-01 5.00 -4.531438493e-01 -4.531438493e-01 5.02 -4.400104811e-01 -4.400104811e-01 5.04 -4.272212232e-01 -4.272212232e-01 5.06 -4.147612590e-01 -4.147612590e-01 5.08 -4.026161544e-01 -4.026161544e-01 5.10 -3.907718278e-01 -3.907718278e-01 5.12 -3.792145428e-01 -3.792145428e-01 5.14 -3.679309228e-01 -3.679309228e-01 5.16 -3.569079936e-01 -3.569079936e-01 5.18 -3.461332536e-01 -3.461332536e-01 5.20 -3.355947767e-01 -3.355947767e-01 5.22 -3.252813468e-01 -3.252813468e-01 5.24 -3.151826250e-01 -3.151826250e-01 5.26 -3.052893466e-01 -3.052893466e-01 5.28 -2.955935403e-01 -2.955935403e-01 5.30 -2.860887613e-01 -2.860887613e-01 5.32 -2.767703202e-01 -2.767703202e-01 5.34 -2.676354892e-01 -2.676354892e-01 5.36 -2.586836589e-01 -2.586836589e-01 5.38 -2.499164192e-01 -2.499164192e-01 5.40 -2.413375358e-01 -2.413375358e-01 5.42 -2.329528006e-01 -2.329528006e-01 5.44 -2.247697415e-01 -2.247697415e-01 5.46 -2.167971921e-01 -2.167971921e-01 5.48 -2.090447377e-01 -2.090447377e-01 5.50 -2.015220714e-01 -2.015220714e-01 5.52 -1.942383107e-01 -1.942383107e-01 5.54 -1.872013312e-01 -1.872013312e-01 5.56 -1.804171749e-01 -1.804171749e-01 5.58 -1.738895853e-01 -1.738895853e-01 5.60 -1.676194744e-01 -1.676194744e-01 5.62 -1.616051367e-01 -1.616051367e-01 5.64 -1.558425231e-01 -1.558425231e-01 5.66 -1.503250170e-01 -1.503250170e-01 5.68 -1.450437566e-01 -1.450437566e-01 5.70 -1.399880314e-01 -1.399880314e-01 5.72 -1.351457090e-01 -1.351457090e-01 5.74 -1.305036575e-01 -1.305036575e-01 5.76 -1.260481347e-01 -1.260481347e-01 5.78 -1.217651280e-01 -1.217651280e-01 5.80 -1.176406351e-01 -1.176406351e-01 5.82 -1.136608841e-01 -1.136608841e-01 5.84 -1.098124977e-01 -1.098124977e-01 5.86 -1.060826086e-01 -1.060826086e-01 5.88 -1.024589356e-01 -1.024589356e-01 5.90 -9.892983081e-02 -9.892983081e-02 5.92 -9.548430739e-02 -9.548430739e-02 5.94 -9.211205728e-02 -9.211205728e-02 5.96 -8.880346667e-02 -8.880346667e-02 5.98 -8.554963564e-02 -8.554963564e-02 6.00 -8.234240751e-02 -8.234240751e-02