# 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 = HgSeZn2 # 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 9.525515058e+03 9.525515058e+03 0.96 8.371977442e+03 8.371977442e+03 0.98 7.381913182e+03 7.381913182e+03 1.00 6.531016096e+03 6.531016096e+03 1.02 5.794961000e+03 5.794961000e+03 1.04 5.151730701e+03 5.151730701e+03 1.06 4.585295648e+03 4.585295648e+03 1.08 4.085113604e+03 4.085113604e+03 1.10 3.643412436e+03 3.643412436e+03 1.12 3.253662943e+03 3.253662943e+03 1.14 2.909605247e+03 2.909605247e+03 1.16 2.604885659e+03 2.604885659e+03 1.18 2.333824091e+03 2.333824091e+03 1.20 2.092244566e+03 2.092244566e+03 1.22 1.877206616e+03 1.877206616e+03 1.24 1.686299589e+03 1.686299589e+03 1.26 1.517437997e+03 1.517437997e+03 1.28 1.368721499e+03 1.368721499e+03 1.30 1.238205906e+03 1.238205906e+03 1.32 1.123832968e+03 1.123832968e+03 1.34 1.023435237e+03 1.023435237e+03 1.36 9.347223773e+02 9.347223773e+02 1.38 8.553611676e+02 8.553611676e+02 1.40 7.832345588e+02 7.832345588e+02 1.42 7.167632020e+02 7.167632020e+02 1.44 6.550174111e+02 6.550174111e+02 1.46 5.975195634e+02 5.975195634e+02 1.48 5.440044434e+02 5.440044434e+02 1.50 4.943189645e+02 4.943189645e+02 1.52 4.483725976e+02 4.483725976e+02 1.54 4.060840091e+02 4.060840091e+02 1.56 3.673549884e+02 3.673549884e+02 1.58 3.320670904e+02 3.320670904e+02 1.60 3.000828700e+02 3.000828700e+02 1.62 2.712481609e+02 2.712481609e+02 1.64 2.453947213e+02 2.453947213e+02 1.66 2.223422467e+02 2.223422467e+02 1.68 2.018988544e+02 2.018988544e+02 1.70 1.838599361e+02 1.838599361e+02 1.72 1.680059736e+02 1.680059736e+02 1.74 1.541004643e+02 1.541004643e+02 1.76 1.418907732e+02 1.418907732e+02 1.78 1.311149551e+02 1.311149551e+02 1.80 1.215156837e+02 1.215156837e+02 1.82 1.128609405e+02 1.128609405e+02 1.84 1.049657261e+02 1.049657261e+02 1.86 9.770146241e+01 9.770146241e+01 1.88 9.098343246e+01 9.098343246e+01 1.90 8.474720067e+01 8.474720067e+01 1.92 7.893629000e+01 7.893629000e+01 1.94 7.350284654e+01 7.350284654e+01 1.96 6.840970639e+01 6.840970639e+01 1.98 6.362909966e+01 6.362909966e+01 2.00 5.913873510e+01 5.913873510e+01 2.02 5.491878953e+01 5.491878953e+01 2.04 5.095154415e+01 5.095154415e+01 2.06 4.722201244e+01 4.722201244e+01 2.08 4.371814181e+01 4.371814181e+01 2.10 4.043023277e+01 4.043023277e+01 2.12 3.734975266e+01 3.734975266e+01 2.14 3.446817962e+01 3.446817962e+01 2.16 3.177644055e+01 3.177644055e+01 2.18 2.926485988e+01 2.926485988e+01 2.20 2.692326238e+01 2.692326238e+01 2.22 2.474111862e+01 2.474111862e+01 2.24 2.270773612e+01 2.270773612e+01 2.26 2.081248671e+01 2.081248671e+01 2.28 1.904504412e+01 1.904504412e+01 2.30 1.739559153e+01 1.739559153e+01 2.32 1.585495402e+01 1.585495402e+01 2.34 1.441463102e+01 1.441463102e+01 2.36 1.306675558e+01 1.306675558e+01 2.38 1.180406825e+01 1.180406825e+01 2.40 1.061999770e+01 1.061999770e+01 2.42 9.508846187e+00 9.508846187e+00 2.44 8.465972827e+00 8.465972827e+00 2.46 7.487865583e+00 7.487865583e+00 2.48 6.572044753e+00 6.572044753e+00 2.50 5.716794151e+00 5.716794151e+00 2.52 4.920791976e+00 4.920791976e+00 2.54 4.182779758e+00 4.182779758e+00 2.56 3.501384716e+00 3.501384716e+00 2.58 2.875085547e+00 2.875085547e+00 2.60 2.302224226e+00 2.302224226e+00 2.62 1.781011314e+00 1.781011314e+00 2.64 1.309528107e+00 1.309528107e+00 2.66 8.857313513e-01 8.857313513e-01 2.68 5.074614424e-01 5.074614424e-01 2.70 1.724544801e-01 1.724544801e-01 2.72 -1.216415951e-01 -1.216415951e-01 2.74 -3.772467335e-01 -3.772467335e-01 2.76 -5.968246250e-01 -5.968246250e-01 2.78 -7.828553356e-01 -7.828553356e-01 2.80 -9.378059672e-01 -9.378059672e-01 2.82 -1.064101273e+00 -1.064101273e+00 2.84 -1.164096897e+00 -1.164096897e+00 2.86 -1.240058541e+00 -1.240058541e+00 2.88 -1.294150534e+00 -1.294150534e+00 2.90 -1.328436598e+00 -1.328436598e+00 2.92 -1.344893465e+00 -1.344893465e+00 2.94 -1.345434215e+00 -1.345434215e+00 2.96 -1.331933223e+00 -1.331933223e+00 2.98 -1.306240720e+00 -1.306240720e+00 3.00 -1.270175733e+00 -1.270175733e+00 3.02 -1.225494771e+00 -1.225494771e+00 3.04 -1.173846762e+00 -1.173846762e+00 3.06 -1.116731380e+00 -1.116731380e+00 3.08 -1.055471341e+00 -1.055471341e+00 3.10 -9.912001355e-01 -9.912001355e-01 3.12 -9.248660183e-01 -9.248660183e-01 3.14 -8.572546251e-01 -8.572546251e-01 3.16 -7.890305263e-01 -7.890305263e-01 3.18 -7.207926633e-01 -7.207926633e-01 3.20 -6.531312877e-01 -6.531312877e-01 3.22 -5.866680487e-01 -5.866680487e-01 3.24 -5.220626277e-01 -5.220626277e-01 3.26 -4.599841012e-01 -4.599841012e-01 3.28 -4.010662439e-01 -4.010662439e-01 3.30 -3.458712392e-01 -3.458712392e-01 3.32 -2.948680220e-01 -2.948680220e-01 3.34 -2.484174026e-01 -2.484174026e-01 3.36 -2.067595344e-01 -2.067595344e-01 3.38 -1.700040041e-01 -1.700040041e-01 3.40 -1.381239233e-01 -1.381239233e-01 3.42 -1.109557212e-01 -1.109557212e-01 3.44 -8.820654316e-02 -8.820654316e-02 3.46 -6.947111030e-02 -6.947111030e-02 3.48 -5.425933588e-02 -5.425933588e-02 3.50 -4.203457839e-02 -4.203457839e-02 3.52 -3.225982004e-02 -3.225982004e-02 3.54 -2.444533805e-02 -2.444533805e-02 3.56 -1.818754780e-02 -1.818754780e-02 3.58 -1.318714109e-02 -1.318714109e-02 3.60 -9.239080538e-03 -9.239080538e-03 3.62 -6.199149145e-03 -6.199149145e-03 3.64 -3.945514717e-03 -3.945514717e-03 3.66 -2.355144817e-03 -2.355144817e-03 3.68 -1.299442152e-03 -1.299442152e-03 3.70 -6.500375639e-04 -6.500375639e-04 3.72 -2.871973558e-04 -2.871973558e-04 3.74 -1.080523458e-04 -1.080523458e-04 3.76 -3.285171298e-05 -3.285171298e-05 3.78 -7.466479776e-06 -7.466479776e-06 3.80 -1.123764218e-06 -1.123764218e-06 3.82 -9.175951955e-08 -9.175951955e-08 3.84 -2.856713907e-09 -2.856713907e-09 3.86 -1.703315319e-11 -1.703315319e-11 3.88 -4.132732387e-15 -4.132732387e-15 3.90 -5.193291920e-22 -5.193291920e-22 3.92 -2.095320578e-40 -2.095320578e-40 3.94 -7.309172947e-242 -7.309172947e-242 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