# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Zhou-X-W-Ward-D-K-Martin-J-E-et-al--Zn-Cd-Hg-S-Se-Te # implementation = SW_ZhouWardMartin_2013_CdTeZnSeHgS__MO_503261197030_002 # composition = STe2Zn # 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 2022-05-24 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 2.024724820e+04 2.024724820e+04 0.96 1.778708040e+04 1.778708040e+04 0.98 1.566225428e+04 1.566225428e+04 1.00 1.382278484e+04 1.382278484e+04 1.02 1.222978077e+04 1.222978077e+04 1.04 1.085053313e+04 1.085053313e+04 1.06 9.652738136e+03 9.652738136e+03 1.08 8.605489574e+03 8.605489574e+03 1.10 7.684176400e+03 7.684176400e+03 1.12 6.872956214e+03 6.872956214e+03 1.14 6.160570360e+03 6.160570360e+03 1.16 5.536095058e+03 5.536095058e+03 1.18 4.988072145e+03 4.988072145e+03 1.20 4.504751323e+03 4.504751323e+03 1.22 4.075002076e+03 4.075002076e+03 1.24 3.689403655e+03 3.689403655e+03 1.26 3.341309775e+03 3.341309775e+03 1.28 3.026767723e+03 3.026767723e+03 1.30 2.742971022e+03 2.742971022e+03 1.32 2.487282989e+03 2.487282989e+03 1.34 2.257232243e+03 2.257232243e+03 1.36 2.050638008e+03 2.050638008e+03 1.38 1.865515487e+03 1.865515487e+03 1.40 1.699859212e+03 1.699859212e+03 1.42 1.551506521e+03 1.551506521e+03 1.44 1.418127818e+03 1.418127818e+03 1.46 1.297396661e+03 1.297396661e+03 1.48 1.187297197e+03 1.187297197e+03 1.50 1.086366897e+03 1.086366897e+03 1.52 9.936648940e+02 9.936648940e+02 1.54 9.085418716e+02 9.085418716e+02 1.56 8.304851761e+02 8.304851761e+02 1.58 7.590414446e+02 7.590414446e+02 1.60 6.937501143e+02 6.937501143e+02 1.62 6.341228418e+02 6.341228418e+02 1.64 5.796660773e+02 5.796660773e+02 1.66 5.299188282e+02 5.299188282e+02 1.68 4.844901452e+02 4.844901452e+02 1.70 4.430789798e+02 4.430789798e+02 1.72 4.054609442e+02 4.054609442e+02 1.74 3.714483434e+02 3.714483434e+02 1.76 3.408529409e+02 3.408529409e+02 1.78 3.134664632e+02 3.134664632e+02 1.80 2.890511047e+02 2.890511047e+02 1.82 2.673366133e+02 2.673366133e+02 1.84 2.480229211e+02 2.480229211e+02 1.86 2.307873837e+02 2.307873837e+02 1.88 2.152976601e+02 2.152976601e+02 1.90 2.012311787e+02 2.012311787e+02 1.92 1.883002156e+02 1.883002156e+02 1.94 1.762775703e+02 1.762775703e+02 1.96 1.650117415e+02 1.650117415e+02 1.98 1.544185872e+02 1.544185872e+02 2.00 1.444516808e+02 1.444516808e+02 2.02 1.350751945e+02 1.350751945e+02 2.04 1.262539848e+02 1.262539848e+02 2.06 1.179530425e+02 1.179530425e+02 2.08 1.101384242e+02 1.101384242e+02 2.10 1.027779995e+02 1.027779995e+02 2.12 9.584198816e+01 9.584198816e+01 2.14 8.930354063e+01 8.930354063e+01 2.16 8.313945260e+01 8.313945260e+01 2.18 7.733055870e+01 7.733055870e+01 2.20 7.186120552e+01 7.186120552e+01 2.22 6.671780255e+01 6.671780255e+01 2.24 6.188718830e+01 6.188718830e+01 2.26 5.735568859e+01 5.735568859e+01 2.28 5.310900395e+01 5.310900395e+01 2.30 4.913247204e+01 4.913247204e+01 2.32 4.541144564e+01 4.541144564e+01 2.34 4.193173104e+01 4.193173104e+01 2.36 3.868001255e+01 3.868001255e+01 2.38 3.564413654e+01 3.564413654e+01 2.40 3.281310680e+01 3.281310680e+01 2.42 3.017671142e+01 3.017671142e+01 2.44 2.772489283e+01 2.772489283e+01 2.46 2.544718603e+01 2.544718603e+01 2.48 2.333251484e+01 2.333251484e+01 2.50 2.136930249e+01 2.136930249e+01 2.52 1.954568673e+01 1.954568673e+01 2.54 1.784977820e+01 1.784977820e+01 2.56 1.626997596e+01 1.626997596e+01 2.58 1.479533130e+01 1.479533130e+01 2.60 1.341592815e+01 1.341592815e+01 2.62 1.212322467e+01 1.212322467e+01 2.64 1.091028016e+01 1.091028016e+01 2.66 9.771786154e+00 9.771786154e+00 2.68 8.703851826e+00 8.703851826e+00 2.70 7.703573428e+00 7.703573428e+00 2.72 6.768525497e+00 6.768525497e+00 2.74 5.896368424e+00 5.896368424e+00 2.76 5.084684450e+00 5.084684450e+00 2.78 4.330980453e+00 4.330980453e+00 2.80 3.632731517e+00 3.632731517e+00 2.82 2.987419008e+00 2.987419008e+00 2.84 2.392569041e+00 2.392569041e+00 2.86 1.845794037e+00 1.845794037e+00 2.88 1.344835112e+00 1.344835112e+00 2.90 8.876014692e-01 8.876014692e-01 2.92 4.722014907e-01 4.722014907e-01 2.94 9.695907680e-02 9.695907680e-02 2.96 -2.395915378e-01 -2.395915378e-01 2.98 -5.387377383e-01 -5.387377383e-01 3.00 -8.016481323e-01 -8.016481323e-01 3.02 -1.029453028e+00 -1.029453028e+00 3.04 -1.223329559e+00 -1.223329559e+00 3.06 -1.384568758e+00 -1.384568758e+00 3.08 -1.514605826e+00 -1.514605826e+00 3.10 -1.615012717e+00 -1.615012717e+00 3.12 -1.687473219e+00 -1.687473219e+00 3.14 -1.733763228e+00 -1.733763228e+00 3.16 -1.755741140e+00 -1.755741140e+00 3.18 -1.755341445e+00 -1.755341445e+00 3.20 -1.734567341e+00 -1.734567341e+00 3.22 -1.695481586e+00 -1.695481586e+00 3.24 -1.640195490e+00 -1.640195490e+00 3.26 -1.570855966e+00 -1.570855966e+00 3.28 -1.489630599e+00 -1.489630599e+00 3.30 -1.398690761e+00 -1.398690761e+00 3.32 -1.300192817e+00 -1.300192817e+00 3.34 -1.196257550e+00 -1.196257550e+00 3.36 -1.088948010e+00 -1.088948010e+00 3.38 -9.802460575e-01 -9.802460575e-01 3.40 -8.720279686e-01 -8.720279686e-01 3.42 -7.660395639e-01 -7.660395639e-01 3.44 -6.638714005e-01 -6.638714005e-01 3.46 -5.669346733e-01 -5.669346733e-01 3.48 -4.764385427e-01 -4.764385427e-01 3.50 -3.933696979e-01 -3.933696979e-01 3.52 -3.184750373e-01 -3.184750373e-01 3.54 -2.522484429e-01 -2.522484429e-01 3.56 -1.949227341e-01 -1.949227341e-01 3.58 -1.464680343e-01 -1.464680343e-01 3.60 -1.065979734e-01 -1.065979734e-01 3.62 -7.478535653e-02 -7.478535653e-02 3.64 -5.028906750e-02 -5.028906750e-02 3.66 -3.219386228e-02 -3.219386228e-02 3.68 -1.946401174e-02 -1.946401174e-02 3.70 -1.101004144e-02 -1.101004144e-02 3.72 -5.764692872e-03 -5.764692872e-03 3.74 -2.759750816e-03 -2.759750816e-03 3.76 -1.190723144e-03 -1.190723144e-03 3.78 -4.544105226e-04 -4.544105226e-04 3.80 -1.491250999e-04 -1.491250999e-04 3.82 -4.022022135e-05 -4.022022135e-05 3.84 -8.299274326e-06 -8.299274326e-06 3.86 -1.169235605e-06 -1.169235605e-06 3.88 -9.291967816e-08 -9.291967816e-08 3.90 -2.998398022e-09 -2.998398022e-09 3.92 -2.153308398e-11 -2.153308398e-11 3.94 -9.729422086e-15 -9.729422086e-15 3.96 -1.097650620e-20 -1.097650620e-20 3.98 -3.326058537e-34 -3.326058537e-34 4.00 -4.903357893e-95 -4.903357893e-95 4.02 0.000000000e+00 0.000000000e+00 4.04 0.000000000e+00 0.000000000e+00 4.06 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 4.14 0.000000000e+00 0.000000000e+00 4.16 0.000000000e+00 0.000000000e+00 4.18 0.000000000e+00 0.000000000e+00 4.20 0.000000000e+00 0.000000000e+00 4.22 0.000000000e+00 0.000000000e+00 4.24 0.000000000e+00 0.000000000e+00 4.26 0.000000000e+00 0.000000000e+00 4.28 0.000000000e+00 0.000000000e+00 4.30 0.000000000e+00 0.000000000e+00 4.32 0.000000000e+00 0.000000000e+00 4.34 0.000000000e+00 0.000000000e+00 4.36 0.000000000e+00 0.000000000e+00 4.38 0.000000000e+00 0.000000000e+00 4.40 0.000000000e+00 0.000000000e+00 4.42 0.000000000e+00 0.000000000e+00 4.44 0.000000000e+00 0.000000000e+00 4.46 0.000000000e+00 0.000000000e+00 4.48 0.000000000e+00 0.000000000e+00 4.50 0.000000000e+00 0.000000000e+00 4.52 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00