# 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 = SeZn2 # 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 1.075045256e+04 0.88 9.342569344e+03 0.90 8.141534894e+03 0.92 7.113129827e+03 0.94 6.228049530e+03 0.96 5.465917100e+03 0.98 4.810569332e+03 1.00 4.245389455e+03 1.02 3.753916500e+03 1.04 3.322893842e+03 1.06 2.944552650e+03 1.08 2.614035679e+03 1.10 2.326402174e+03 1.12 2.076274205e+03 1.14 1.857974983e+03 1.16 1.665813015e+03 1.18 1.494963493e+03 1.20 1.342306893e+03 1.22 1.206076423e+03 1.24 1.084946877e+03 1.26 9.776532359e+02 1.28 8.829003427e+02 1.30 7.993405691e+02 1.32 7.255962374e+02 1.34 6.602592190e+02 1.36 6.018675141e+02 1.38 5.489768346e+02 1.40 5.003671896e+02 1.42 4.552383392e+02 1.44 4.132032042e+02 1.46 3.741017242e+02 1.48 3.378549838e+02 1.50 3.044046677e+02 1.52 2.736891232e+02 1.54 2.456339598e+02 1.56 2.201494200e+02 1.58 1.971299938e+02 1.60 1.764549344e+02 1.62 1.579897160e+02 1.64 1.415884209e+02 1.66 1.270967489e+02 1.68 1.143548743e+02 1.70 1.031989630e+02 1.72 9.346047997e+01 1.74 8.496421967e+01 1.76 7.752822240e+01 1.78 7.096828047e+01 1.80 6.510769424e+01 1.82 5.979223321e+01 1.84 5.490629515e+01 1.86 5.037991865e+01 1.88 4.617829834e+01 1.90 4.228104662e+01 1.92 3.866919106e+01 1.94 3.532281380e+01 1.96 3.222137330e+01 1.98 2.934426505e+01 2.00 2.667159184e+01 2.02 2.418509555e+01 2.04 2.186909505e+01 2.06 1.971115640e+01 2.08 1.770216581e+01 2.10 1.583562168e+01 2.12 1.410638086e+01 2.14 1.250952275e+01 2.16 1.103984025e+01 2.18 9.691782564e+00 2.20 8.459469889e+00 2.22 7.336696130e+00 2.24 6.316939494e+00 2.26 5.393387284e+00 2.28 4.558979046e+00 2.30 3.806473000e+00 2.32 3.128541253e+00 2.34 2.517898786e+00 2.36 1.967468744e+00 2.38 1.470580806e+00 2.40 1.021189160e+00 2.42 6.140817932e-01 2.44 2.450360376e-01 2.46 -8.913532087e-02 2.48 -3.906934401e-01 2.50 -6.612395186e-01 2.52 -9.020614711e-01 2.54 -1.114422499e+00 2.56 -1.299686128e+00 2.58 -1.459306639e+00 2.60 -1.594793400e+00 2.62 -1.707694658e+00 2.64 -1.799587773e+00 2.66 -1.872067526e+00 2.68 -1.926731597e+00 2.70 -1.965163160e+00 2.72 -1.988910729e+00 2.74 -1.999465633e+00 2.76 -1.998237847e+00 2.78 -1.986531394e+00 2.80 -1.965521114e+00 2.82 -1.936233264e+00 2.84 -1.899533116e+00 2.86 -1.856123098e+00 2.88 -1.806554970e+00 2.90 -1.751258237e+00 2.92 -1.690584331e+00 2.94 -1.624861522e+00 2.96 -1.554450176e+00 2.98 -1.479784246e+00 3.00 -1.401386967e+00 3.02 -1.319859364e+00 3.04 -1.235854580e+00 3.06 -1.150055949e+00 3.08 -1.063165719e+00 3.10 -9.758993107e-01 3.12 -8.889799469e-01 3.14 -8.031322939e-01 3.16 -7.190749571e-01 3.18 -6.375117655e-01 3.20 -5.591218159e-01 3.22 -4.845482767e-01 3.24 -4.143860017e-01 3.26 -3.491680634e-01 3.28 -2.893514093e-01 3.30 -2.353019583e-01 3.32 -1.872796162e-01 3.34 -1.454239035e-01 3.36 -1.097411644e-01 3.38 -8.009467976e-02 3.40 -5.619941697e-02 3.42 -3.762358126e-02 3.44 -2.379946673e-02 3.46 -1.404612541e-02 3.48 -7.605718817e-03 3.50 -3.693606409e-03 3.52 -1.558812484e-03 3.54 -5.465176153e-04 3.56 -1.489102899e-04 3.58 -2.844536996e-05 3.60 -3.220191780e-06 3.62 -1.610143487e-07 3.64 -2.021036407e-09 3.66 -1.839078264e-12 3.68 -4.186025271e-18 3.70 -3.507320400e-32 3.72 -1.771050022e-129 3.74 0.000000000e+00 3.76 0.000000000e+00 3.78 0.000000000e+00 3.80 0.000000000e+00 3.82 0.000000000e+00 3.84 0.000000000e+00 3.86 0.000000000e+00 3.88 0.000000000e+00 3.90 0.000000000e+00 3.92 0.000000000e+00 3.94 0.000000000e+00 3.96 0.000000000e+00 3.98 0.000000000e+00 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