# 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 = CdHgS2 # 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 1.668202850e+04 1.668202850e+04 0.96 1.462689546e+04 1.462689546e+04 0.98 1.287070669e+04 1.287070669e+04 1.00 1.137247634e+04 1.137247634e+04 1.02 1.009036079e+04 1.009036079e+04 1.04 8.984632901e+03 8.984632901e+03 1.06 8.021446663e+03 8.021446663e+03 1.08 7.174242362e+03 7.174242362e+03 1.10 6.425354794e+03 6.425354794e+03 1.12 5.761879785e+03 5.761879785e+03 1.14 5.172329828e+03 5.172329828e+03 1.16 4.646630104e+03 4.646630104e+03 1.18 4.175865654e+03 4.175865654e+03 1.20 3.752542780e+03 3.752542780e+03 1.22 3.371100384e+03 3.371100384e+03 1.24 3.028238993e+03 3.028238993e+03 1.26 2.722059161e+03 2.722059161e+03 1.28 2.450553082e+03 2.450553082e+03 1.30 2.211159382e+03 2.211159382e+03 1.32 2.000800841e+03 2.000800841e+03 1.34 1.816026697e+03 1.816026697e+03 1.36 1.653246197e+03 1.653246197e+03 1.38 1.509018197e+03 1.509018197e+03 1.40 1.380297343e+03 1.380297343e+03 1.42 1.264479130e+03 1.264479130e+03 1.44 1.159266071e+03 1.159266071e+03 1.46 1.062708028e+03 1.062708028e+03 1.48 9.733920717e+02 9.733920717e+02 1.50 8.903950158e+02 8.903950158e+02 1.52 8.131441849e+02 8.131441849e+02 1.54 7.413453286e+02 7.413453286e+02 1.56 6.748521871e+02 6.748521871e+02 1.58 6.135378672e+02 6.135378672e+02 1.60 5.572498141e+02 5.572498141e+02 1.62 5.058095693e+02 5.058095693e+02 1.64 4.590194658e+02 4.590194658e+02 1.66 4.166699976e+02 4.166699976e+02 1.68 3.785450643e+02 3.785450643e+02 1.70 3.444219903e+02 3.444219903e+02 1.72 3.140638658e+02 3.140638658e+02 1.74 2.872054320e+02 2.872054320e+02 1.76 2.635418635e+02 2.635418635e+02 1.78 2.427296990e+02 2.427296990e+02 1.80 2.243986615e+02 2.243986615e+02 1.82 2.081704720e+02 2.081704720e+02 1.84 1.936799143e+02 1.936799143e+02 1.86 1.805906418e+02 1.805906418e+02 1.88 1.686038047e+02 1.686038047e+02 1.90 1.574714814e+02 1.574714814e+02 1.92 1.470193766e+02 1.470193766e+02 1.94 1.371526181e+02 1.371526181e+02 1.96 1.278294973e+02 1.278294973e+02 1.98 1.190311150e+02 1.190311150e+02 2.00 1.107472995e+02 1.107472995e+02 2.02 1.029700170e+02 1.029700170e+02 2.04 9.569021832e+01 9.569021832e+01 2.06 8.889705625e+01 8.889705625e+01 2.08 8.257763021e+01 8.257763021e+01 2.10 7.671675659e+01 7.671675659e+01 2.12 7.129676190e+01 7.129676190e+01 2.14 6.629731769e+01 6.629731769e+01 2.16 6.169534144e+01 6.169534144e+01 2.18 5.746499541e+01 5.746499541e+01 2.20 5.357782299e+01 5.357782299e+01 2.22 5.000306775e+01 5.000306775e+01 2.24 4.670821971e+01 4.670821971e+01 2.26 4.365982172e+01 4.365982172e+01 2.28 4.082453994e+01 4.082453994e+01 2.30 3.817045183e+01 3.817045183e+01 2.32 3.566843861e+01 3.566843861e+01 2.34 3.329350184e+01 3.329350184e+01 2.36 3.102578508e+01 3.102578508e+01 2.38 2.885108490e+01 2.885108490e+01 2.40 2.676066493e+01 2.676066493e+01 2.42 2.475025485e+01 2.475025485e+01 2.44 2.281838344e+01 2.281838344e+01 2.46 2.096469675e+01 2.096469675e+01 2.48 1.918901283e+01 1.918901283e+01 2.50 1.749111726e+01 1.749111726e+01 2.52 1.587077370e+01 1.587077370e+01 2.54 1.432771998e+01 1.432771998e+01 2.56 1.286165611e+01 1.286165611e+01 2.58 1.147223201e+01 1.147223201e+01 2.60 1.015903500e+01 1.015903500e+01 2.62 8.921577377e+00 8.921577377e+00 2.64 7.759283861e+00 7.759283861e+00 2.66 6.671479122e+00 6.671479122e+00 2.68 5.657375412e+00 5.657375412e+00 2.70 4.716060400e+00 4.716060400e+00 2.72 3.846485334e+00 3.846485334e+00 2.74 3.047453666e+00 3.047453666e+00 2.76 2.317610300e+00 2.317610300e+00 2.78 1.655431678e+00 1.655431678e+00 2.80 1.059216907e+00 1.059216907e+00 2.82 5.270801929e-01 5.270801929e-01 2.84 5.694485991e-02 5.694485991e-02 2.86 -3.534607229e-01 -3.534607229e-01 2.88 -7.066049766e-01 -7.066049766e-01 2.90 -1.005152337e+00 -1.005152337e+00 2.92 -1.251959490e+00 -1.251959490e+00 2.94 -1.450068229e+00 -1.450068229e+00 2.96 -1.602694549e+00 -1.602694549e+00 2.98 -1.713213617e+00 -1.713213617e+00 3.00 -1.785140298e+00 -1.785140298e+00 3.02 -1.822104986e+00 -1.822104986e+00 3.04 -1.827824599e+00 -1.827824599e+00 3.06 -1.806068724e+00 -1.806068724e+00 3.08 -1.760621090e+00 -1.760621090e+00 3.10 -1.695236774e+00 -1.695236774e+00 3.12 -1.613595836e+00 -1.613595836e+00 3.14 -1.519254385e+00 -1.519254385e+00 3.16 -1.415594472e+00 -1.415594472e+00 3.18 -1.305774603e+00 -1.305774603e+00 3.20 -1.192683072e+00 -1.192683072e+00 3.22 -1.078896681e+00 -1.078896681e+00 3.24 -9.666477243e-01 -9.666477243e-01 3.26 -8.578022016e-01 -8.578022016e-01 3.28 -7.538520487e-01 -7.538520487e-01 3.30 -6.559235445e-01 -6.559235445e-01 3.32 -5.648028018e-01 -5.648028018e-01 3.34 -4.809772703e-01 -4.809772703e-01 3.36 -4.046894977e-01 -4.046894977e-01 3.38 -3.359963893e-01 -3.359963893e-01 3.40 -2.748247912e-01 -2.748247912e-01 3.42 -2.210137163e-01 -2.210137163e-01 3.44 -1.743361916e-01 -1.743361916e-01 3.46 -1.344999456e-01 -1.344999456e-01 3.48 -1.011352194e-01 -1.011352194e-01 3.50 -7.378609318e-02 -7.378609318e-02 3.52 -5.191952990e-02 -5.191952990e-02 3.54 -3.494989669e-02 -3.494989669e-02 3.56 -2.226284376e-02 -2.226284376e-02 3.58 -1.322614147e-02 -1.322614147e-02 3.60 -7.188839937e-03 -7.188839937e-03 3.62 -3.483766664e-03 -3.483766664e-03 3.64 -1.452142547e-03 -1.452142547e-03 3.66 -4.941440540e-04 -4.941440540e-04 3.68 -1.267810327e-04 -1.267810327e-04 3.70 -2.159320908e-05 -2.159320908e-05 3.72 -1.964322916e-06 -1.964322916e-06 3.74 -6.369668368e-08 -6.369668368e-08 3.76 -3.155347997e-10 -3.155347997e-10 3.78 -2.851092639e-14 -2.851092639e-14 3.80 -3.267869361e-23 -3.267869361e-23 3.82 -1.407973616e-59 -1.407973616e-59 3.84 0.000000000e+00 0.000000000e+00 3.86 0.000000000e+00 0.000000000e+00 3.88 0.000000000e+00 0.000000000e+00 3.90 0.000000000e+00 0.000000000e+00 3.92 0.000000000e+00 0.000000000e+00 3.94 0.000000000e+00 0.000000000e+00 3.96 0.000000000e+00 0.000000000e+00 3.98 0.000000000e+00 0.000000000e+00 4.00 0.000000000e+00 0.000000000e+00 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