# 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 = Cd2Se # 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 C1--CaF2--fluori 0.50 nan 0.52 nan 0.54 nan 0.56 nan 0.58 nan 0.60 nan 0.62 nan 0.64 nan 0.66 nan 0.68 nan 0.70 nan 0.72 nan 0.74 nan 0.76 nan 0.78 nan 0.80 nan 0.82 nan 0.84 nan 0.86 1.527093310e+04 0.88 1.331368432e+04 0.90 1.163914956e+04 0.92 1.019224399e+04 0.94 8.934079870e+03 0.96 7.841972670e+03 0.98 6.896490151e+03 1.00 6.078151652e+03 1.02 5.370635885e+03 1.04 4.760754663e+03 1.06 4.234845500e+03 1.08 3.777866641e+03 1.10 3.375189085e+03 1.12 3.016137178e+03 1.14 2.695625790e+03 1.16 2.411157607e+03 1.18 2.160149895e+03 1.20 1.939464902e+03 1.22 1.745360645e+03 1.24 1.573758446e+03 1.26 1.420917366e+03 1.28 1.284148999e+03 1.30 1.161831689e+03 1.32 1.052727902e+03 1.34 9.556324909e+02 1.36 8.693813246e+02 1.38 7.928448062e+02 1.40 7.248720256e+02 1.42 6.642712062e+02 1.44 6.098502644e+02 1.46 5.604678845e+02 1.48 5.150939905e+02 1.50 4.729131891e+02 1.52 4.334238260e+02 1.54 3.964102776e+02 1.56 3.617865843e+02 1.58 3.294819539e+02 1.60 2.994203498e+02 1.62 2.715234639e+02 1.64 2.457146596e+02 1.66 2.219214221e+02 1.68 2.000747140e+02 1.70 1.801057224e+02 1.72 1.619431041e+02 1.74 1.455124482e+02 1.76 1.307358304e+02 1.78 1.175294940e+02 1.80 1.058002137e+02 1.82 9.544250464e+01 1.84 8.633796048e+01 1.86 7.835613424e+01 1.88 7.135658381e+01 1.90 6.519251987e+01 1.92 5.971677107e+01 1.94 5.479075427e+01 1.96 5.029629604e+01 1.98 4.614736623e+01 2.00 4.229459613e+01 2.02 3.871638883e+01 2.04 3.540243855e+01 2.06 3.234358156e+01 2.08 2.952980718e+01 2.10 2.695017589e+01 2.12 2.459278123e+01 2.14 2.244473738e+01 2.16 2.049220824e+01 2.18 1.872049253e+01 2.20 1.711418163e+01 2.22 1.565740569e+01 2.24 1.433417711e+01 2.26 1.312882526e+01 2.28 1.202648935e+01 2.30 1.101359946e+01 2.32 1.007824038e+01 2.34 9.210284769e+00 2.36 8.401240681e+00 2.38 7.643898060e+00 2.40 6.932008380e+00 2.42 6.260215053e+00 2.44 5.624202257e+00 2.46 5.020826670e+00 2.48 4.448070788e+00 2.50 3.904798159e+00 2.52 3.390384387e+00 2.54 2.904375663e+00 2.56 2.446309593e+00 2.58 2.015691172e+00 2.60 1.612012439e+00 2.62 1.234757259e+00 2.64 8.833981862e-01 2.66 5.573927356e-01 2.68 2.561798259e-01 2.70 -2.082356844e-02 2.72 -2.742255216e-01 2.74 -5.046619783e-01 2.76 -7.127992469e-01 2.78 -8.993361103e-01 2.80 -1.065005495e+00 2.82 -1.210575628e+00 2.84 -1.336850619e+00 2.86 -1.444670365e+00 2.88 -1.534909724e+00 2.90 -1.608476847e+00 2.92 -1.666310587e+00 2.94 -1.709376915e+00 2.96 -1.738664240e+00 2.98 -1.755177613e+00 3.00 -1.759931745e+00 3.02 -1.753942872e+00 3.04 -1.738219508e+00 3.06 -1.713752227e+00 3.08 -1.681502696e+00 3.10 -1.642392315e+00 3.12 -1.597290949e+00 3.14 -1.547006447e+00 3.16 -1.492275786e+00 3.18 -1.433758900e+00 3.20 -1.372036346e+00 3.22 -1.307611989e+00 3.24 -1.240921658e+00 3.26 -1.172348204e+00 3.28 -1.102242399e+00 3.30 -1.030947713e+00 3.32 -9.588253313e-01 3.34 -8.862744283e-01 3.36 -8.137425991e-01 3.38 -7.417234972e-01 3.40 -6.707431631e-01 3.42 -6.013411419e-01 3.44 -5.340534213e-01 3.46 -4.694000209e-01 3.48 -4.078752833e-01 3.50 -3.499383106e-01 3.52 -2.960026854e-01 3.54 -2.464254915e-01 3.56 -2.014958548e-01 3.58 -1.614233404e-01 3.60 -1.263266947e-01 3.62 -9.622361941e-02 3.64 -7.102251647e-02 3.66 -5.051744515e-02 3.68 -3.438785737e-02 3.70 -2.220495965e-02 3.72 -1.344664728e-02 3.74 -7.522632455e-03 3.76 -3.810303555e-03 3.78 -1.699647210e-03 3.80 -6.421010518e-04 3.82 -1.940748258e-04 3.84 -4.304946183e-05 3.86 -6.107910734e-06 3.88 -4.390371620e-07 3.90 -1.040618597e-08 3.92 -3.348281003e-11 3.94 -1.655746723e-15 3.96 -9.797566048e-25 3.98 -1.417144150e-58 4.00 0.000000000e+00 4.02 0.000000000e+00 4.04 0.000000000e+00 4.06 0.000000000e+00 4.08 0.000000000e+00 4.10 0.000000000e+00 4.12 0.000000000e+00 4.14 0.000000000e+00 4.16 0.000000000e+00 4.18 0.000000000e+00 4.20 0.000000000e+00 4.22 0.000000000e+00 4.24 0.000000000e+00 4.26 0.000000000e+00 4.28 0.000000000e+00 4.30 0.000000000e+00 4.32 0.000000000e+00 4.34 0.000000000e+00 4.36 0.000000000e+00 4.38 0.000000000e+00 4.40 0.000000000e+00 4.42 0.000000000e+00 4.44 0.000000000e+00 4.46 0.000000000e+00 4.48 0.000000000e+00 4.50 0.000000000e+00 4.52 0.000000000e+00 4.54 0.000000000e+00 4.56 0.000000000e+00 4.58 0.000000000e+00 4.60 0.000000000e+00 4.62 0.000000000e+00 4.64 0.000000000e+00 4.66 0.000000000e+00 4.68 0.000000000e+00 4.70 0.000000000e+00 4.72 0.000000000e+00 4.74 0.000000000e+00 4.76 0.000000000e+00 4.78 0.000000000e+00 4.80 0.000000000e+00 4.82 0.000000000e+00 4.84 0.000000000e+00 4.86 0.000000000e+00 4.88 0.000000000e+00 4.90 0.000000000e+00 4.92 0.000000000e+00 4.94 0.000000000e+00 4.96 0.000000000e+00 4.98 0.000000000e+00 5.00 0.000000000e+00 5.02 0.000000000e+00 5.04 0.000000000e+00 5.06 0.000000000e+00 5.08 0.000000000e+00 5.10 0.000000000e+00 5.12 0.000000000e+00 5.14 0.000000000e+00 5.16 0.000000000e+00 5.18 0.000000000e+00 5.20 0.000000000e+00 5.22 0.000000000e+00 5.24 0.000000000e+00 5.26 0.000000000e+00 5.28 0.000000000e+00 5.30 0.000000000e+00 5.32 0.000000000e+00 5.34 0.000000000e+00 5.36 0.000000000e+00 5.38 0.000000000e+00 5.40 0.000000000e+00 5.42 0.000000000e+00 5.44 0.000000000e+00 5.46 0.000000000e+00 5.48 0.000000000e+00 5.50 0.000000000e+00 5.52 0.000000000e+00 5.54 0.000000000e+00 5.56 0.000000000e+00 5.58 0.000000000e+00 5.60 0.000000000e+00 5.62 0.000000000e+00 5.64 0.000000000e+00 5.66 0.000000000e+00 5.68 0.000000000e+00 5.70 0.000000000e+00 5.72 0.000000000e+00 5.74 0.000000000e+00 5.76 0.000000000e+00 5.78 0.000000000e+00 5.80 0.000000000e+00 5.82 0.000000000e+00 5.84 0.000000000e+00 5.86 0.000000000e+00 5.88 0.000000000e+00 5.90 0.000000000e+00 5.92 0.000000000e+00 5.94 0.000000000e+00 5.96 0.000000000e+00 5.98 0.000000000e+00 6.00 0.000000000e+00