# 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 = Hg2SZn # 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 9.949666887e+03 9.949666887e+03 0.96 8.754528718e+03 8.754528718e+03 0.98 7.729165299e+03 7.729165299e+03 1.00 6.844168771e+03 6.844168771e+03 1.02 6.073690056e+03 6.073690056e+03 1.04 5.397572862e+03 5.397572862e+03 1.06 4.801680138e+03 4.801680138e+03 1.08 4.275506163e+03 4.275506163e+03 1.10 3.810682895e+03 3.810682895e+03 1.12 3.400434173e+03 3.400434173e+03 1.14 3.038291558e+03 3.038291558e+03 1.16 2.717780820e+03 2.717780820e+03 1.18 2.433377793e+03 2.433377793e+03 1.20 2.181140262e+03 2.181140262e+03 1.22 1.958148175e+03 1.958148175e+03 1.24 1.761774450e+03 1.761774450e+03 1.26 1.589471425e+03 1.589471425e+03 1.28 1.438658916e+03 1.438658916e+03 1.30 1.306583881e+03 1.306583881e+03 1.32 1.190371786e+03 1.190371786e+03 1.34 1.087241692e+03 1.087241692e+03 1.36 9.947298831e+02 9.947298831e+02 1.38 9.108207148e+02 9.108207148e+02 1.40 8.339956264e+02 8.339956264e+02 1.42 7.632209200e+02 7.632209200e+02 1.44 6.977898951e+02 6.977898951e+02 1.46 6.371642854e+02 6.371642854e+02 1.48 5.809604546e+02 5.809604546e+02 1.50 5.289500154e+02 5.289500154e+02 1.52 4.809956937e+02 4.809956937e+02 1.54 4.369734027e+02 4.369734027e+02 1.56 3.967393926e+02 3.967393926e+02 1.58 3.601270605e+02 3.601270605e+02 1.60 3.269493900e+02 3.269493900e+02 1.62 2.970029732e+02 2.970029732e+02 1.64 2.700728147e+02 2.700728147e+02 1.66 2.459367764e+02 2.459367764e+02 1.68 2.243688791e+02 2.243688791e+02 1.70 2.051416709e+02 2.051416709e+02 1.72 1.880274268e+02 1.880274268e+02 1.74 1.727967428e+02 1.727967428e+02 1.76 1.592161669e+02 1.592161669e+02 1.78 1.470496058e+02 1.470496058e+02 1.80 1.360673154e+02 1.360673154e+02 1.82 1.260631027e+02 1.260631027e+02 1.84 1.168719837e+02 1.168719837e+02 1.86 1.083756607e+02 1.083756607e+02 1.88 1.004904483e+02 1.004904483e+02 1.90 9.315000778e+01 9.315000778e+01 1.92 8.629871887e+01 8.629871887e+01 1.94 7.989261187e+01 7.989261187e+01 1.96 7.389970780e+01 7.389970780e+01 1.98 6.829752600e+01 6.829752600e+01 2.00 6.306848847e+01 6.306848847e+01 2.02 5.819629615e+01 5.819629615e+01 2.04 5.366494299e+01 5.366494299e+01 2.06 4.945884447e+01 4.945884447e+01 2.08 4.556284606e+01 4.556284606e+01 2.10 4.196188482e+01 4.196188482e+01 2.12 3.864040215e+01 3.864040215e+01 2.14 3.558182012e+01 3.558182012e+01 2.16 3.276835471e+01 3.276835471e+01 2.18 3.018113390e+01 3.018113390e+01 2.20 2.780046766e+01 2.780046766e+01 2.22 2.560623410e+01 2.560623410e+01 2.24 2.357838898e+01 2.357838898e+01 2.26 2.169758202e+01 2.169758202e+01 2.28 1.994582898e+01 1.994582898e+01 2.30 1.830715011e+01 1.830715011e+01 2.32 1.676805876e+01 1.676805876e+01 2.34 1.531779698e+01 1.531779698e+01 2.36 1.394828615e+01 1.394828615e+01 2.38 1.265385850e+01 1.265385850e+01 2.40 1.143085670e+01 1.143085670e+01 2.42 1.027709800e+01 1.027709800e+01 2.44 9.191199776e+00 9.191199776e+00 2.46 8.171976122e+00 8.171976122e+00 2.48 7.218154910e+00 7.218154910e+00 2.50 6.328353065e+00 6.328353065e+00 2.52 5.501093289e+00 5.501093289e+00 2.54 4.734800317e+00 4.734800317e+00 2.56 4.027793504e+00 4.027793504e+00 2.58 3.378280657e+00 3.378280657e+00 2.60 2.784353562e+00 2.784353562e+00 2.62 2.243985475e+00 2.243985475e+00 2.64 1.755030935e+00 1.755030935e+00 2.66 1.315228229e+00 1.315228229e+00 2.68 9.222049112e-01 9.222049112e-01 2.70 5.734867448e-01 5.734867448e-01 2.72 2.665104336e-01 2.665104336e-01 2.74 -1.359523539e-03 -1.359523539e-03 2.76 -2.328096316e-01 -2.328096316e-01 2.78 -4.305517722e-01 -4.305517722e-01 2.80 -5.972933173e-01 -5.972933173e-01 2.82 -7.357035128e-01 -7.357035128e-01 2.84 -8.483771621e-01 -8.483771621e-01 2.86 -9.377973127e-01 -9.377973127e-01 2.88 -1.006299474e+00 -1.006299474e+00 2.90 -1.056040823e+00 -1.056040823e+00 2.92 -1.088978709e+00 -1.088978709e+00 2.94 -1.106863244e+00 -1.106863244e+00 2.96 -1.111248301e+00 -1.111248301e+00 2.98 -1.103523210e+00 -1.103523210e+00 3.00 -1.084963100e+00 -1.084963100e+00 3.02 -1.056789358e+00 -1.056789358e+00 3.04 -1.020224727e+00 -1.020224727e+00 3.06 -9.765244678e-01 -9.765244678e-01 3.08 -9.269716204e-01 -9.269716204e-01 3.10 -8.728418450e-01 -8.728418450e-01 3.12 -8.153604598e-01 -8.153604598e-01 3.14 -7.556726184e-01 -7.556726184e-01 3.16 -6.948290334e-01 -6.948290334e-01 3.18 -6.337795916e-01 -6.337795916e-01 3.20 -5.733710099e-01 -5.733710099e-01 3.22 -5.143481080e-01 -5.143481080e-01 3.24 -4.573584458e-01 -4.573584458e-01 3.26 -4.029594376e-01 -4.029594376e-01 3.28 -3.516262475e-01 -3.516262475e-01 3.30 -3.037580213e-01 -3.037580213e-01 3.32 -2.596797074e-01 -2.596797074e-01 3.34 -2.196374098e-01 -2.196374098e-01 3.36 -1.837873357e-01 -1.837873357e-01 3.38 -1.521816209e-01 -1.521816209e-01 3.40 -1.247570044e-01 -1.247570044e-01 3.42 -1.013322041e-01 -1.013322041e-01 3.44 -8.161678030e-02 -8.161678030e-02 3.46 -6.523133980e-02 -6.523133980e-02 3.48 -5.173807580e-02 -5.173807580e-02 3.50 -4.067974182e-02 -4.067974182e-02 3.52 -3.162253238e-02 -3.162253238e-02 3.54 -2.419475639e-02 -2.419475639e-02 3.56 -1.811068060e-02 -1.811068060e-02 3.58 -1.317062413e-02 -1.317062413e-02 3.60 -9.236996663e-03 -9.236996663e-03 3.62 -6.199035609e-03 -6.199035609e-03 3.64 -3.945513221e-03 -3.945513221e-03 3.66 -2.355144815e-03 -2.355144815e-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