# 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 = Cd2Te # 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 1.771124261e+04 0.88 1.542396319e+04 0.90 1.348086464e+04 0.92 1.181707105e+04 0.94 1.038837283e+04 0.96 9.157076990e+03 0.98 8.087683156e+03 1.00 7.153070209e+03 1.02 6.334733992e+03 1.04 5.617952611e+03 1.06 4.989700947e+03 1.08 4.439135489e+03 1.10 3.957471303e+03 1.12 3.536412678e+03 1.14 3.167233173e+03 1.16 2.841075856e+03 1.18 2.550475301e+03 1.20 2.290800100e+03 1.22 2.059681143e+03 1.24 1.855174791e+03 1.26 1.674918922e+03 1.28 1.516076314e+03 1.30 1.375497654e+03 1.32 1.250068620e+03 1.34 1.137199939e+03 1.36 1.035193811e+03 1.38 9.431072084e+02 1.40 8.602431216e+02 1.42 7.858615678e+02 1.44 7.191583450e+02 1.46 6.593034597e+02 1.48 6.054825643e+02 1.50 5.569205709e+02 1.52 5.128798416e+02 1.54 4.726587074e+02 1.56 4.356161098e+02 1.58 4.012085964e+02 1.60 3.690289454e+02 1.62 3.388324538e+02 1.64 3.105069112e+02 1.66 2.839990441e+02 1.68 2.592683538e+02 1.70 2.362741504e+02 1.72 2.149701067e+02 1.74 1.953020855e+02 1.76 1.772080215e+02 1.78 1.606185833e+02 1.80 1.454584836e+02 1.82 1.316484791e+02 1.84 1.191079484e+02 1.86 1.077576547e+02 1.88 9.752191406e+01 1.90 8.832912037e+01 1.92 8.010989487e+01 1.94 7.279339440e+01 1.96 6.630375546e+01 1.98 6.055850825e+01 2.00 5.546925443e+01 2.02 5.094409585e+01 2.04 4.689164475e+01 2.06 4.322660096e+01 2.08 3.987619884e+01 2.10 3.678560639e+01 2.12 3.391939362e+01 2.14 3.125720021e+01 2.16 2.878581883e+01 2.18 2.649329266e+01 2.20 2.436728768e+01 2.22 2.239523686e+01 2.24 2.056467452e+01 2.26 1.886364008e+01 2.28 1.728112691e+01 2.30 1.580750075e+01 2.32 1.443477394e+01 2.34 1.315661193e+01 2.36 1.196800727e+01 2.38 1.086470195e+01 2.40 9.842603121e+00 2.42 8.897442611e+00 2.44 8.024704111e+00 2.46 7.219653431e+00 2.48 6.477377040e+00 2.50 5.792833068e+00 2.52 5.160925571e+00 2.54 4.576606263e+00 2.56 4.035004590e+00 2.58 3.531581510e+00 2.60 3.062293458e+00 2.62 2.623741550e+00 2.64 2.213270045e+00 2.66 1.828974764e+00 2.68 1.469596516e+00 2.70 1.134313922e+00 2.72 8.225036050e-01 2.74 5.335626994e-01 2.76 2.668431772e-01 2.78 2.165820340e-02 2.80 -2.027050195e-01 2.82 -4.069832575e-01 2.84 -5.919380872e-01 2.86 -7.583564033e-01 2.88 -9.070503053e-01 2.90 -1.038856281e+00 2.92 -1.154633600e+00 2.94 -1.255261820e+00 2.96 -1.341637326e+00 2.98 -1.414668804e+00 3.00 -1.475271585e+00 3.02 -1.524360798e+00 3.04 -1.562843316e+00 3.06 -1.591608545e+00 3.08 -1.611518148e+00 3.10 -1.623394963e+00 3.12 -1.628011455e+00 3.14 -1.626078298e+00 3.16 -1.618233826e+00 3.18 -1.605035412e+00 3.20 -1.586953985e+00 3.22 -1.564373081e+00 3.24 -1.537593747e+00 3.26 -1.506846256e+00 3.28 -1.472308739e+00 3.30 -1.434131436e+00 3.32 -1.392463461e+00 3.34 -1.347477248e+00 3.36 -1.299385196e+00 3.38 -1.248444701e+00 3.40 -1.194952070e+00 3.42 -1.139230823e+00 3.44 -1.081621484e+00 3.46 -1.022476182e+00 3.48 -9.621564799e-01 3.50 -9.010319592e-01 3.52 -8.394786324e-01 3.54 -7.778770261e-01 3.56 -7.166099110e-01 3.58 -6.560596561e-01 3.60 -5.966051857e-01 3.62 -5.386185249e-01 3.64 -4.824609254e-01 3.66 -4.284785696e-01 3.68 -3.769978652e-01 3.70 -3.283203562e-01 3.72 -2.827172949e-01 3.74 -2.404239457e-01 3.76 -2.016337247e-01 3.78 -1.664923199e-01 3.80 -1.350919936e-01 3.82 -1.074663349e-01 3.84 -8.358581585e-02 3.86 -6.335460429e-02 3.88 -4.660919703e-02 3.90 -3.311954142e-02 3.92 -2.259339210e-02 3.94 -1.468464790e-02 3.96 -9.006267906e-03 3.98 -5.147979070e-03 4.00 -2.698267283e-03 4.02 -1.269039204e-03 4.04 -5.199463375e-04 4.06 -1.780463316e-04 4.08 -4.799241557e-05 4.10 -9.306777186e-06 4.12 -1.127015728e-06 4.14 -6.728730444e-08 4.16 -1.293270638e-09 4.18 -3.403151791e-12 4.20 -1.652908125e-16 4.22 -3.464333455e-25 4.24 -1.232015771e-51 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