# 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 = MoPt2Zr # 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 4.522670542e+02 4.522670542e+02 1.30 4.230592799e+02 4.230592799e+02 1.32 3.957597248e+02 3.957597248e+02 1.34 3.702268711e+02 3.702268711e+02 1.36 3.463415997e+02 3.463415997e+02 1.38 3.240011912e+02 3.240011912e+02 1.40 3.031123189e+02 3.031123189e+02 1.42 2.835862579e+02 2.835862579e+02 1.44 2.653348074e+02 2.653348074e+02 1.46 2.482675254e+02 2.482675254e+02 1.48 2.322934004e+02 2.322934004e+02 1.50 2.173259430e+02 2.173259430e+02 1.52 2.032869446e+02 2.032869446e+02 1.54 1.901063521e+02 1.901063521e+02 1.56 1.777201315e+02 1.777201315e+02 1.58 1.660678543e+02 1.660678543e+02 1.60 1.550914976e+02 1.550914976e+02 1.62 1.447355600e+02 1.447355600e+02 1.64 1.349484756e+02 1.349484756e+02 1.66 1.256844020e+02 1.256844020e+02 1.68 1.169048539e+02 1.169048539e+02 1.70 1.085793299e+02 1.085793299e+02 1.72 1.006845731e+02 1.006845731e+02 1.74 9.320245803e+01 9.320245803e+01 1.76 8.611734126e+01 8.611734126e+01 1.78 7.941402264e+01 7.941402264e+01 1.80 7.307714013e+01 7.307714013e+01 1.82 6.709151458e+01 6.709151458e+01 1.84 6.144300381e+01 6.144300381e+01 1.86 5.611885255e+01 5.611885255e+01 1.88 5.110737487e+01 5.110737487e+01 1.90 4.639675042e+01 4.639675042e+01 1.92 4.197446731e+01 4.197446731e+01 1.94 3.787876006e+01 3.787876006e+01 1.96 3.413317758e+01 3.413317758e+01 1.98 3.070223256e+01 3.070223256e+01 2.00 2.755380085e+01 2.755380085e+01 2.02 2.465978571e+01 2.465978571e+01 2.04 2.199608155e+01 2.199608155e+01 2.06 1.954212467e+01 1.954212467e+01 2.08 1.728028488e+01 1.728028488e+01 2.10 1.519526716e+01 1.519526716e+01 2.12 1.327348704e+01 1.327348704e+01 2.14 1.150257563e+01 1.150257563e+01 2.16 9.871014702e+00 9.871014702e+00 2.18 8.367978311e+00 8.367978311e+00 2.20 6.983354367e+00 6.983354367e+00 2.22 5.707826559e+00 5.707826559e+00 2.24 4.532942198e+00 4.532942198e+00 2.26 3.451122833e+00 3.451122833e+00 2.28 2.455611307e+00 2.455611307e+00 2.30 1.540403496e+00 1.540403496e+00 2.32 7.001551278e-01 7.001551278e-01 2.34 -6.994492403e-02 -6.994492403e-02 2.36 -7.742598386e-01 -7.742598386e-01 2.38 -1.416808531e+00 -1.416808531e+00 2.40 -2.001357127e+00 -2.001357127e+00 2.42 -2.531507599e+00 -2.531507599e+00 2.44 -3.010769378e+00 -3.010769378e+00 2.46 -3.442620238e+00 -3.442620238e+00 2.48 -3.830536018e+00 -3.830536018e+00 2.50 -4.177989560e+00 -4.177989560e+00 2.52 -4.488418138e+00 -4.488418138e+00 2.54 -4.765162364e+00 -4.765162364e+00 2.56 -5.011383366e+00 -5.011383366e+00 2.58 -5.229973239e+00 -5.229973239e+00 2.60 -5.423481880e+00 -5.423481880e+00 2.62 -5.594081618e+00 -5.594081618e+00 2.64 -5.743583040e+00 -5.743583040e+00 2.66 -5.873483294e+00 -5.873483294e+00 2.68 -5.985043916e+00 -5.985043916e+00 2.70 -6.079419607e+00 -6.079419607e+00 2.72 -6.157575190e+00 -6.157575190e+00 2.74 -6.220377374e+00 -6.220377374e+00 2.76 -6.268658096e+00 -6.268658096e+00 2.78 -6.303662713e+00 -6.303662713e+00 2.80 -6.327992866e+00 -6.327992866e+00 2.82 -6.342170189e+00 -6.342170189e+00 2.84 -6.346536346e+00 -6.346536346e+00 2.86 -6.341391383e+00 -6.341391383e+00 2.88 -6.326949944e+00 -6.326949944e+00 2.90 -6.303488466e+00 -6.303488466e+00 2.92 -6.271370530e+00 -6.271370530e+00 2.94 -6.231054341e+00 -6.231054341e+00 2.96 -6.183091219e+00 -6.183091219e+00 2.98 -6.128054808e+00 -6.128054808e+00 3.00 -6.066519139e+00 -6.066519139e+00 3.02 -5.999099014e+00 -5.999099014e+00 3.04 -5.926409429e+00 -5.926409429e+00 3.06 -5.849035925e+00 -5.849035925e+00 3.08 -5.767490848e+00 -5.767490848e+00 3.10 -5.682209518e+00 -5.682209518e+00 3.12 -5.593543337e+00 -5.593543337e+00 3.14 -5.501778784e+00 -5.501778784e+00 3.16 -5.407135197e+00 -5.407135197e+00 3.18 -5.309793235e+00 -5.309793235e+00 3.20 -5.209908256e+00 -5.209908256e+00 3.22 -5.107625858e+00 -5.107625858e+00 3.24 -5.003096119e+00 -5.003096119e+00 3.26 -4.896486256e+00 -4.896486256e+00 3.28 -4.787990952e+00 -4.787990952e+00 3.30 -4.677839234e+00 -4.677839234e+00 3.32 -4.566296881e+00 -4.566296881e+00 3.34 -4.453664167e+00 -4.453664167e+00 3.36 -4.340269750e+00 -4.340269750e+00 3.38 -4.226462321e+00 -4.226462321e+00 3.40 -4.112600745e+00 -4.112600745e+00 3.42 -3.999049353e+00 -3.999049353e+00 3.44 -3.886164124e+00 -3.886164124e+00 3.46 -3.774289563e+00 -3.774289563e+00 3.48 -3.663750179e+00 -3.663750179e+00 3.50 -3.554843099e+00 -3.554843099e+00 3.52 -3.447831004e+00 -3.447831004e+00 3.54 -3.342936045e+00 -3.342936045e+00 3.56 -3.240335382e+00 -3.240335382e+00 3.58 -3.140159647e+00 -3.140159647e+00 3.60 -3.042565395e+00 -3.042565395e+00 3.62 -2.947766903e+00 -2.947766903e+00 3.64 -2.855892550e+00 -2.855892550e+00 3.66 -2.766986488e+00 -2.766986488e+00 3.68 -2.681026854e+00 -2.681026854e+00 3.70 -2.597942496e+00 -2.597942496e+00 3.72 -2.517627842e+00 -2.517627842e+00 3.74 -2.439955792e+00 -2.439955792e+00 3.76 -2.364788590e+00 -2.364788590e+00 3.78 -2.291986737e+00 -2.291986737e+00 3.80 -2.221415965e+00 -2.221415965e+00 3.82 -2.152952262e+00 -2.152952262e+00 3.84 -2.086484935e+00 -2.086484935e+00 3.86 -2.021917739e+00 -2.021917739e+00 3.88 -1.959168227e+00 -1.959168227e+00 3.90 -1.898165709e+00 -1.898165709e+00 3.92 -1.838846763e+00 -1.838846763e+00 3.94 -1.781158968e+00 -1.781158968e+00 3.96 -1.725047745e+00 -1.725047745e+00 3.98 -1.670462408e+00 -1.670462408e+00 4.00 -1.617353895e+00 -1.617353895e+00 4.02 -1.565675636e+00 -1.565675636e+00 4.04 -1.515385202e+00 -1.515385202e+00 4.06 -1.466446295e+00 -1.466446295e+00 4.08 -1.418830593e+00 -1.418830593e+00 4.10 -1.372515847e+00 -1.372515847e+00 4.12 -1.327499692e+00 -1.327499692e+00 4.14 -1.283777710e+00 -1.283777710e+00 4.16 -1.241356726e+00 -1.241356726e+00 4.18 -1.200247989e+00 -1.200247989e+00 4.20 -1.160463661e+00 -1.160463661e+00 4.22 -1.122012980e+00 -1.122012980e+00 4.24 -1.084898543e+00 -1.084898543e+00 4.26 -1.049113175e+00 -1.049113175e+00 4.28 -1.014637737e+00 -1.014637737e+00 4.30 -9.814400694e-01 -9.814400694e-01 4.32 -9.494750810e-01 -9.494750810e-01 4.34 -9.186858321e-01 -9.186858321e-01 4.36 -8.890053343e-01 -8.890053343e-01 4.38 -8.603587545e-01 -8.603587545e-01 4.40 -8.326657242e-01 -8.326657242e-01 4.42 -8.058425203e-01 -8.058425203e-01 4.44 -7.798039682e-01 -7.798039682e-01 4.46 -7.544650030e-01 -7.544650030e-01 4.48 -7.297418969e-01 -7.297418969e-01 4.50 -7.055532089e-01 -7.055532089e-01 4.52 -6.818205447e-01 -6.818205447e-01 4.54 -6.584692269e-01 -6.584692269e-01 4.56 -6.354289739e-01 -6.354289739e-01 4.58 -6.126346732e-01 -6.126346732e-01 4.60 -5.900273189e-01 -5.900273189e-01 4.62 -5.675551551e-01 -5.675551551e-01 4.64 -5.451750357e-01 -5.451750357e-01 4.66 -5.228539747e-01 -5.228539747e-01 4.68 -5.005708173e-01 -5.005708173e-01 4.70 -4.783179140e-01 -4.783179140e-01 4.72 -4.561026398e-01 -4.561026398e-01 4.74 -4.339485568e-01 -4.339485568e-01 4.76 -4.118960044e-01 -4.118960044e-01 4.78 -3.900019021e-01 -3.900019021e-01 4.80 -3.683355414e-01 -3.683355414e-01 4.82 -3.469890960e-01 -3.469890960e-01 4.84 -3.260544310e-01 -3.260544310e-01 4.86 -3.056328923e-01 -3.056328923e-01 4.88 -2.858268652e-01 -2.858268652e-01 4.90 -2.667347584e-01 -2.667347584e-01 4.92 -2.484461732e-01 -2.484461732e-01 4.94 -2.310376792e-01 -2.310376792e-01 4.96 -2.145695479e-01 -2.145695479e-01 4.98 -1.990836734e-01 -1.990836734e-01 5.00 -1.846027620e-01 -1.846027620e-01 5.02 -1.711307292e-01 -1.711307292e-01 5.04 -1.586541229e-01 -1.586541229e-01 5.06 -1.471443172e-01 -1.471443172e-01 5.08 -1.365601874e-01 -1.365601874e-01 5.10 -1.268509921e-01 -1.268509921e-01 5.12 -1.179592268e-01 -1.179592268e-01 5.14 -1.098232714e-01 -1.098232714e-01 5.16 -1.023797167e-01 -1.023797167e-01 5.18 -9.556531137e-02 -9.556531137e-02 5.20 -8.931851492e-02 -8.931851492e-02 5.22 -8.358068255e-02 -8.358068255e-02 5.24 -7.829691866e-02 -7.829691866e-02 5.26 -7.341658894e-02 -7.341658894e-02 5.28 -6.889359715e-02 -6.889359715e-02 5.30 -6.468706907e-02 -6.468706907e-02 5.32 -6.076095256e-02 -6.076095256e-02 5.34 -5.708393413e-02 -5.708393413e-02 5.36 -5.362931076e-02 -5.362931076e-02 5.38 -5.037477397e-02 -5.037477397e-02 5.40 -4.730211639e-02 -4.730211639e-02 5.42 -4.439686947e-02 -4.439686947e-02 5.44 -4.164786968e-02 -4.164786968e-02 5.46 -3.904676774e-02 -3.904676774e-02 5.48 -3.658749305e-02 -3.658749305e-02 5.50 -3.426569015e-02 -3.426569015e-02 5.52 -3.207815685e-02 -3.207815685e-02 5.54 -3.002231830e-02 -3.002231830e-02 5.56 -2.809575733e-02 -2.809575733e-02 5.58 -2.629582962e-02 -2.629582962e-02 5.60 -2.461937407e-02 -2.461937407e-02 5.62 -2.306237472e-02 -2.306237472e-02 5.64 -2.162027549e-02 -2.162027549e-02 5.66 -2.028785774e-02 -2.028785774e-02 5.68 -1.905921047e-02 -1.905921047e-02 5.70 -1.792788045e-02 -1.792788045e-02 5.72 -1.688704585e-02 -1.688704585e-02 5.74 -1.592969369e-02 -1.592969369e-02 5.76 -1.504878596e-02 -1.504878596e-02 5.78 -1.423740421e-02 -1.423740421e-02 5.80 -1.348886725e-02 -1.348886725e-02 5.82 -1.279682021e-02 -1.279682021e-02 5.84 -1.215529635e-02 -1.215529635e-02 5.86 -1.155875458e-02 -1.155875458e-02 5.88 -1.100209683e-02 -1.100209683e-02 5.90 -1.048066953e-02 -1.048066953e-02 5.92 -9.990253569e-03 -9.990253569e-03 5.94 -9.527046379e-03 -9.527046379e-03 5.96 -9.087639441e-03 -9.087639441e-03 5.98 -8.668993786e-03 -8.668993786e-03 6.00 -8.268415508e-03 -8.268415508e-03