# 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 = SSe2Zn # 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 1.620493709e+04 1.620493709e+04 0.96 1.423540779e+04 1.423540779e+04 0.98 1.254270862e+04 1.254270862e+04 1.00 1.108620128e+04 1.108620128e+04 1.02 9.827814016e+03 9.827814016e+03 1.04 8.733385296e+03 8.733385296e+03 1.06 7.775622224e+03 7.775622224e+03 1.08 6.934154294e+03 6.934154294e+03 1.10 6.193920406e+03 6.193920406e+03 1.12 5.542660970e+03 5.542660970e+03 1.14 4.968441550e+03 4.968441550e+03 1.16 4.459463328e+03 4.459463328e+03 1.18 4.005441635e+03 4.005441635e+03 1.20 3.598836267e+03 3.598836267e+03 1.22 3.234478133e+03 3.234478133e+03 1.24 2.908689735e+03 2.908689735e+03 1.26 2.618727940e+03 2.618727940e+03 1.28 2.361999476e+03 2.361999476e+03 1.30 2.135539095e+03 2.135539095e+03 1.32 1.935987767e+03 1.935987767e+03 1.34 1.759769226e+03 1.759769226e+03 1.36 1.603325934e+03 1.603325934e+03 1.38 1.463346819e+03 1.463346819e+03 1.40 1.336979615e+03 1.336979615e+03 1.42 1.222006831e+03 1.222006831e+03 1.44 1.116832934e+03 1.116832934e+03 1.46 1.020316710e+03 1.020316710e+03 1.48 9.316303553e+02 9.316303553e+02 1.50 8.501354087e+02 8.501354087e+02 1.52 7.752711656e+02 7.752711656e+02 1.54 7.065264696e+02 7.065264696e+02 1.56 6.434708303e+02 6.434708303e+02 1.58 5.857711556e+02 5.857711556e+02 1.60 5.331641998e+02 5.331641998e+02 1.62 4.854013781e+02 4.854013781e+02 1.64 4.422122035e+02 4.422122035e+02 1.66 4.033004166e+02 4.033004166e+02 1.68 3.683529072e+02 3.683529072e+02 1.70 3.370501606e+02 3.370501606e+02 1.72 3.090737595e+02 3.090737595e+02 1.74 2.841080103e+02 2.841080103e+02 1.76 2.618367912e+02 2.618367912e+02 1.78 2.419396654e+02 2.419396654e+02 1.80 2.240931828e+02 2.240931828e+02 1.82 2.079838069e+02 2.079838069e+02 1.84 1.933292911e+02 1.933292911e+02 1.86 1.798949046e+02 1.798949046e+02 1.88 1.674932040e+02 1.674932040e+02 1.90 1.559728314e+02 1.559728314e+02 1.92 1.452135407e+02 1.452135407e+02 1.94 1.351270682e+02 1.351270682e+02 1.96 1.256514300e+02 1.256514300e+02 1.98 1.167397519e+02 1.167397519e+02 2.00 1.083532879e+02 1.083532879e+02 2.02 1.004606273e+02 1.004606273e+02 2.04 9.303778874e+01 9.303778874e+01 2.06 8.606677321e+01 8.606677321e+01 2.08 7.953314178e+01 7.953314178e+01 2.10 7.342386797e+01 7.342386797e+01 2.12 6.772593749e+01 6.772593749e+01 2.14 6.242541311e+01 6.242541311e+01 2.16 5.750691853e+01 5.750691853e+01 2.18 5.295347806e+01 5.295347806e+01 2.20 4.874649006e+01 4.874649006e+01 2.22 4.486575594e+01 4.486575594e+01 2.24 4.128958023e+01 4.128958023e+01 2.26 3.799496634e+01 3.799496634e+01 2.28 3.495793470e+01 3.495793470e+01 2.30 3.215398756e+01 3.215398756e+01 2.32 2.955873197e+01 2.955873197e+01 2.34 2.714864297e+01 2.714864297e+01 2.36 2.490189985e+01 2.490189985e+01 2.38 2.279916768e+01 2.279916768e+01 2.40 2.082415445e+01 2.082415445e+01 2.42 1.896380722e+01 1.896380722e+01 2.44 1.720815324e+01 1.720815324e+01 2.46 1.554995881e+01 1.554995881e+01 2.48 1.398434428e+01 1.398434428e+01 2.50 1.250825794e+01 1.250825794e+01 2.52 1.111973207e+01 1.111973207e+01 2.54 9.817157588e+00 9.817157588e+00 2.56 8.598863868e+00 8.598863868e+00 2.58 7.463015338e+00 7.463015338e+00 2.60 6.407624044e+00 6.407624044e+00 2.62 5.430555480e+00 5.430555480e+00 2.64 4.529526246e+00 4.529526246e+00 2.66 3.702103456e+00 3.702103456e+00 2.68 2.945707396e+00 2.945707396e+00 2.70 2.257617900e+00 2.257617900e+00 2.72 1.634984890e+00 1.634984890e+00 2.74 1.074843494e+00 1.074843494e+00 2.76 5.741340487e-01 5.741340487e-01 2.78 1.297271482e-01 1.297271482e-01 2.80 -2.615463798e-01 -2.615463798e-01 2.82 -6.028610699e-01 -6.028610699e-01 2.84 -8.973590604e-01 -8.973590604e-01 2.86 -1.148110802e+00 -1.148110802e+00 2.88 -1.358076995e+00 -1.358076995e+00 2.90 -1.530075582e+00 -1.530075582e+00 2.92 -1.666758637e+00 -1.666758637e+00 2.94 -1.770604569e+00 -1.770604569e+00 2.96 -1.843930700e+00 -1.843930700e+00 2.98 -1.888929090e+00 -1.888929090e+00 3.00 -1.907723827e+00 -1.907723827e+00 3.02 -1.902440848e+00 -1.902440848e+00 3.04 -1.875273450e+00 -1.875273450e+00 3.06 -1.828522743e+00 -1.828522743e+00 3.08 -1.764598489e+00 -1.764598489e+00 3.10 -1.685983985e+00 -1.685983985e+00 3.12 -1.595187154e+00 -1.595187154e+00 3.14 -1.494699439e+00 -1.494699439e+00 3.16 -1.386965531e+00 -1.386965531e+00 3.18 -1.274356339e+00 -1.274356339e+00 3.20 -1.159141324e+00 -1.159141324e+00 3.22 -1.043460046e+00 -1.043460046e+00 3.24 -9.292935381e-01 -9.292935381e-01 3.26 -8.184362573e-01 -8.184362573e-01 3.28 -7.124694954e-01 -7.124694954e-01 3.30 -6.127372405e-01 -6.127372405e-01 3.32 -5.203256048e-01 -5.203256048e-01 3.34 -4.360470418e-01 -4.360470418e-01 3.36 -3.604307024e-01 -3.604307024e-01 3.38 -2.937203931e-01 -2.937203931e-01 3.40 -2.358817080e-01 -2.358817080e-01 3.42 -1.866199356e-01 -1.866199356e-01 3.44 -1.454101888e-01 -1.454101888e-01 3.46 -1.115406555e-01 -1.115406555e-01 3.48 -8.416863308e-02 -8.416863308e-02 3.50 -6.238675589e-02 -6.238675589e-02 3.52 -4.529344440e-02 -4.529344440e-02 3.54 -3.205756191e-02 -3.205756191e-02 3.56 -2.196425382e-02 -2.196425382e-02 3.58 -1.443006472e-02 -1.443006472e-02 3.60 -8.984018604e-03 -8.984018604e-03 3.62 -5.226909586e-03 -5.226909586e-03 3.64 -2.794108442e-03 -2.794108442e-03 3.66 -1.342854914e-03 -1.342854914e-03 3.68 -5.633751052e-04 -5.633751052e-04 3.70 -1.979433400e-04 -1.979433400e-04 3.72 -5.483852137e-05 -5.483852137e-05 3.74 -1.093647388e-05 -1.093647388e-05 3.76 -1.358863274e-06 -1.358863274e-06 3.78 -8.244301285e-08 -8.244301285e-08 3.80 -1.564023127e-09 -1.564023127e-09 3.82 -3.727576534e-12 -3.727576534e-12 3.84 -1.232725013e-16 -1.232725013e-16 3.86 -4.989285977e-26 -4.989285977e-26 3.88 -3.316719950e-58 -3.316719950e-58 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 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