# 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 = SSeTe2 # 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 2.101724179e+04 2.101724179e+04 0.96 1.846638044e+04 1.846638044e+04 0.98 1.626419546e+04 1.626419546e+04 1.00 1.436202175e+04 1.436202175e+04 1.02 1.271741626e+04 1.271741626e+04 1.04 1.129404926e+04 1.129404926e+04 1.06 1.005802917e+04 1.005802917e+04 1.08 8.977990631e+03 8.977990631e+03 1.10 8.027549952e+03 8.027549952e+03 1.12 7.186902205e+03 7.186902205e+03 1.14 6.442575134e+03 6.442575134e+03 1.16 5.784481942e+03 5.784481942e+03 1.18 5.202996735e+03 5.202996735e+03 1.20 4.688267154e+03 4.688267154e+03 1.22 4.230720722e+03 4.230720722e+03 1.24 3.821646521e+03 3.821646521e+03 1.26 3.453996812e+03 3.453996812e+03 1.28 3.122986420e+03 3.122986420e+03 1.30 2.825534034e+03 2.825534034e+03 1.32 2.559129327e+03 2.559129327e+03 1.34 2.321219056e+03 2.321219056e+03 1.36 2.109138554e+03 2.109138554e+03 1.38 1.920150719e+03 1.920150719e+03 1.40 1.751526634e+03 1.751526634e+03 1.42 1.600660539e+03 1.600660539e+03 1.44 1.465143657e+03 1.465143657e+03 1.46 1.342783089e+03 1.342783089e+03 1.48 1.231594879e+03 1.231594879e+03 1.50 1.129889234e+03 1.129889234e+03 1.52 1.036398765e+03 1.036398765e+03 1.54 9.502838502e+02 9.502838502e+02 1.56 8.710023753e+02 8.710023753e+02 1.58 7.981318982e+02 7.981318982e+02 1.60 7.312518249e+02 7.312518249e+02 1.62 6.699155899e+02 6.699155899e+02 1.64 6.136709349e+02 6.136709349e+02 1.66 5.620945023e+02 5.620945023e+02 1.68 5.148253938e+02 5.148253938e+02 1.70 4.715809464e+02 4.715809464e+02 1.72 4.321406418e+02 4.321406418e+02 1.74 3.963066361e+02 3.963066361e+02 1.76 3.638721363e+02 3.638721363e+02 1.78 3.346118722e+02 3.346118722e+02 1.80 3.082826626e+02 3.082826626e+02 1.82 2.846271954e+02 2.846271954e+02 1.84 2.633799738e+02 2.633799738e+02 1.86 2.442726399e+02 2.442726399e+02 1.88 2.270368859e+02 2.270368859e+02 1.90 2.114075928e+02 2.114075928e+02 1.92 1.971309090e+02 1.971309090e+02 1.94 1.839776609e+02 1.839776609e+02 1.96 1.717582091e+02 1.717582091e+02 1.98 1.603324013e+02 1.603324013e+02 2.00 1.496082717e+02 1.496082717e+02 2.02 1.395299815e+02 1.395299815e+02 2.04 1.300615499e+02 1.300615499e+02 2.06 1.211730554e+02 1.211730554e+02 2.08 1.128343155e+02 1.128343155e+02 2.10 1.050145182e+02 1.050145182e+02 2.12 9.768339956e+01 9.768339956e+01 2.14 9.081256670e+01 9.081256670e+01 2.16 8.437659263e+01 8.437659263e+01 2.18 7.835345431e+01 7.835345431e+01 2.20 7.272397741e+01 7.272397741e+01 2.22 6.747039435e+01 6.747039435e+01 2.24 6.257474610e+01 6.257474610e+01 2.26 5.801798426e+01 5.801798426e+01 2.28 5.377990925e+01 5.377990925e+01 2.30 4.983951189e+01 4.983951189e+01 2.32 4.617548052e+01 4.617548052e+01 2.34 4.276682933e+01 4.276682933e+01 2.36 3.959357594e+01 3.959357594e+01 2.38 3.663732933e+01 3.663732933e+01 2.40 3.388160856e+01 3.388160856e+01 2.42 3.131176110e+01 3.131176110e+01 2.44 2.891453347e+01 2.891453347e+01 2.46 2.667757154e+01 2.667757154e+01 2.48 2.458911806e+01 2.458911806e+01 2.50 2.263786800e+01 2.263786800e+01 2.52 2.081282758e+01 2.081282758e+01 2.54 1.910324047e+01 1.910324047e+01 2.56 1.749871383e+01 1.749871383e+01 2.58 1.598953364e+01 1.598953364e+01 2.60 1.456704310e+01 1.456704310e+01 2.62 1.322397546e+01 1.322397546e+01 2.64 1.195466865e+01 1.195466865e+01 2.66 1.075508768e+01 1.075508768e+01 2.68 9.622606321e+00 9.622606321e+00 2.70 8.555576662e+00 8.555576662e+00 2.72 7.552820169e+00 7.552820169e+00 2.74 6.613229527e+00 6.613229527e+00 2.76 5.735589229e+00 5.735589229e+00 2.78 4.918553377e+00 4.918553377e+00 2.80 4.160657430e+00 4.160657430e+00 2.82 3.460319938e+00 3.460319938e+00 2.84 2.815841660e+00 2.815841660e+00 2.86 2.225406587e+00 2.225406587e+00 2.88 1.687085526e+00 1.687085526e+00 2.90 1.198842610e+00 1.198842610e+00 2.92 7.585450851e-01 7.585450851e-01 2.94 3.639766840e-01 3.639766840e-01 2.96 1.285480403e-02 1.285480403e-02 2.98 -2.971484426e-01 -2.971484426e-01 3.00 -5.683814884e-01 -5.683814884e-01 3.02 -8.031854341e-01 -8.031854341e-01 3.04 -1.003864112e+00 -1.003864112e+00 3.06 -1.172653858e+00 -1.172653858e+00 3.08 -1.311695611e+00 -1.311695611e+00 3.10 -1.423012843e+00 -1.423012843e+00 3.12 -1.508499568e+00 -1.508499568e+00 3.14 -1.569922810e+00 -1.569922810e+00 3.16 -1.608942841e+00 -1.608942841e+00 3.18 -1.627151439e+00 -1.627151439e+00 3.20 -1.626123150e+00 -1.626123150e+00 3.22 -1.607467790e+00 -1.607467790e+00 3.24 -1.572867873e+00 -1.572867873e+00 3.26 -1.524087482e+00 -1.524087482e+00 3.28 -1.462952574e+00 -1.462952574e+00 3.30 -1.391318651e+00 -1.391318651e+00 3.32 -1.311043315e+00 -1.311043315e+00 3.34 -1.223966924e+00 -1.223966924e+00 3.36 -1.131895652e+00 -1.131895652e+00 3.38 -1.036583951e+00 -1.036583951e+00 3.40 -9.397161800e-01 -9.397161800e-01 3.42 -8.428876767e-01 -8.428876767e-01 3.44 -7.475856356e-01 -7.475856356e-01 3.46 -6.551702117e-01 -6.551702117e-01 3.48 -5.668563308e-01 -5.668563308e-01 3.50 -4.836967444e-01 -4.836967444e-01 3.52 -4.065669128e-01 -4.065669128e-01 3.54 -3.361523453e-01 -3.361523453e-01 3.56 -2.729390710e-01 -2.729390710e-01 3.58 -2.172079528e-01 -2.172079528e-01 3.60 -1.690336142e-01 -1.690336142e-01 3.62 -1.282888019e-01 -1.282888019e-01 3.64 -9.465505842e-02 -9.465505842e-02 3.66 -6.764058106e-02 -6.764058106e-02 3.68 -4.660601972e-02 -4.660601972e-02 3.70 -3.079858937e-02 -3.079858937e-02 3.72 -1.939408292e-02 -1.939408292e-02 3.74 -1.154502851e-02 -1.154502851e-02 3.76 -6.431360602e-03 -6.431360602e-03 3.78 -3.307944692e-03 -3.307944692e-03 3.80 -1.542012410e-03 -1.542012410e-03 3.82 -6.343168985e-04 -6.343168985e-04 3.84 -2.214249783e-04 -2.214249783e-04 3.86 -6.189445733e-05 -6.189445733e-05 3.88 -1.268997701e-05 -1.268997701e-05 3.90 -1.661401931e-06 -1.661401931e-06 3.92 -1.101135904e-07 -1.101135904e-07 3.94 -2.429776486e-09 -2.429776486e-09 3.96 -7.693449929e-12 -7.693449929e-12 3.98 -4.789159344e-16 -4.789159344e-16 4.00 -1.307674533e-24 -1.307674533e-24 4.02 -1.404561185e-51 -1.404561185e-51 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