# 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 = Cd2Zn # 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 8.514571185e+03 0.88 7.418307158e+03 0.90 6.478744610e+03 0.92 5.669149262e+03 0.94 4.968670729e+03 0.96 4.362973925e+03 0.98 3.840251668e+03 1.00 3.388840777e+03 1.02 2.998275033e+03 1.04 2.660058850e+03 1.06 2.366902264e+03 1.08 2.111792660e+03 1.10 1.887932716e+03 1.12 1.689574019e+03 1.14 1.512842653e+03 1.16 1.355448260e+03 1.18 1.215687186e+03 1.20 1.091968594e+03 1.22 9.826767578e+02 1.24 8.860776714e+02 1.26 8.003751099e+02 1.28 7.239407983e+02 1.30 6.555305979e+02 1.32 5.942493187e+02 1.34 5.393705639e+02 1.36 4.902749900e+02 1.38 4.464214360e+02 1.40 4.072752862e+02 1.42 3.722627279e+02 1.44 3.407838060e+02 1.46 3.122540812e+02 1.48 2.861532715e+02 1.50 2.620631548e+02 1.52 2.396825057e+02 1.54 2.188229336e+02 1.56 1.993828401e+02 1.58 1.812986214e+02 1.60 1.645127485e+02 1.62 1.489699811e+02 1.64 1.346201106e+02 1.66 1.214192660e+02 1.68 1.093281302e+02 1.70 9.830757853e+01 1.72 8.831470210e+01 1.74 7.930127662e+01 1.76 7.121371100e+01 1.78 6.399340277e+01 1.80 5.757735698e+01 1.82 5.189908603e+01 1.84 4.688978185e+01 1.86 4.247969892e+01 1.88 3.859960627e+01 1.90 3.518208883e+01 1.92 3.216251076e+01 1.94 2.947976421e+01 1.96 2.707748799e+01 1.98 2.490653214e+01 2.00 2.292811096e+01 2.02 2.111534916e+01 2.04 1.945131069e+01 2.06 1.792452110e+01 2.08 1.652545476e+01 2.10 1.524529828e+01 2.12 1.407543294e+01 2.14 1.300701451e+01 2.16 1.203083891e+01 2.18 1.113743639e+01 2.20 1.031723945e+01 2.22 9.560800566e+00 2.24 8.859072504e+00 2.26 8.203741869e+00 2.28 7.587582445e+00 2.30 7.004764638e+00 2.32 6.451030557e+00 2.34 5.923643186e+00 2.36 5.421073504e+00 2.38 4.942510926e+00 2.40 4.487405104e+00 2.42 4.055227409e+00 2.44 3.645438891e+00 2.46 3.257512501e+00 2.48 2.890937898e+00 2.50 2.545218447e+00 2.52 2.219867799e+00 2.54 1.914406590e+00 2.56 1.628359267e+00 2.58 1.361251051e+00 2.60 1.112605021e+00 2.62 8.819393542e-01 2.64 6.687647061e-01 2.66 4.725817618e-01 2.68 2.928789711e-01 2.70 1.291304907e-01 2.72 -1.920564042e-02 2.74 -1.526890613e-01 2.76 -2.718983487e-01 2.78 -3.774319375e-01 2.80 -4.699086563e-01 2.82 -5.499678298e-01 2.84 -6.182688959e-01 2.86 -6.754904812e-01 2.88 -7.223288779e-01 2.90 -7.594958631e-01 2.92 -7.877158049e-01 2.94 -8.077220022e-01 2.96 -8.202522154e-01 2.98 -8.260433587e-01 3.00 -8.258253455e-01 3.02 -8.203141093e-01 3.04 -8.102038666e-01 3.06 -7.961587425e-01 3.08 -7.788039615e-01 3.10 -7.587168992e-01 3.12 -7.364184143e-01 3.14 -7.123650219e-01 3.16 -6.869426251e-01 3.18 -6.604626706e-01 3.20 -6.331617025e-01 3.22 -6.052052955e-01 3.24 -5.766971694e-01 3.26 -5.476938193e-01 3.28 -5.182241405e-01 3.30 -4.883122769e-01 3.32 -4.580004367e-01 3.34 -4.273672188e-01 3.36 -3.965369421e-01 3.38 -3.656775038e-01 3.40 -3.349884711e-01 3.42 -3.046854060e-01 3.44 -2.749871562e-01 3.46 -2.461086664e-01 3.48 -2.182572030e-01 3.50 -1.916293723e-01 3.52 -1.664079993e-01 3.54 -1.427587721e-01 3.56 -1.208266897e-01 3.58 -1.007323779e-01 3.60 -8.256836555e-02 3.62 -6.639545250e-02 3.64 -5.223934721e-02 3.66 -4.008781332e-02 3.68 -2.988863565e-02 3.70 -2.154879676e-02 3.72 -1.493533249e-02 3.74 -9.878387501e-03 3.76 -6.176981640e-03 3.78 -3.607864185e-03 3.80 -1.937501037e-03 3.82 -9.366372172e-04 3.84 -3.959889809e-04 3.86 -1.405860408e-04 3.88 -3.951672068e-05 3.90 -8.047771434e-06 3.92 -1.032174423e-06 3.94 -6.589226877e-08 3.96 -1.365352717e-09 3.98 -3.860397713e-12 4.00 -1.890836236e-16 4.02 -2.612356780e-25 4.04 -5.741700044e-54 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