# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2014--Zhou-X-W-Foster-M-E-van-Swol-F-B-et-al--Cd-Te-Se # implementation = 2014--Zhou-X-W--Cd-Te-Se--LAMMPS--ipr1 # composition = CdSe2 # 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 2.00 1.568239540e+01 2.02 1.433963936e+01 2.04 1.308574341e+01 2.06 1.191549910e+01 2.08 1.082405624e+01 2.10 9.806665247e+00 2.12 8.858525925e+00 2.14 7.974886203e+00 2.16 7.151350018e+00 2.18 6.384147099e+00 2.20 5.669872736e+00 2.22 5.005337594e+00 2.24 4.387554119e+00 2.26 3.813723204e+00 2.28 3.281218139e+00 2.30 2.787564588e+00 2.32 2.330417187e+00 2.34 1.907538082e+00 2.36 1.516791242e+00 2.38 1.156123898e+00 2.40 8.236453316e-01 2.42 5.175256578e-01 2.44 2.360869271e-01 2.46 -2.222174670e-02 2.48 -2.588233758e-01 2.50 -4.749662923e-01 2.52 -6.716903746e-01 2.54 -8.498676835e-01 2.56 -1.010359399e+00 2.58 -1.154219347e+00 2.60 -1.282732448e+00 2.62 -1.397128147e+00 2.64 -1.499030865e+00 2.66 -1.589164592e+00 2.68 -1.668321097e+00 2.70 -1.737239372e+00 2.72 -1.796605500e+00 2.74 -1.847070123e+00 2.76 -1.889249988e+00 2.78 -1.923729567e+00 2.80 -1.951062272e+00 2.82 -1.971771966e+00 2.84 -1.986354158e+00 2.86 -1.995277217e+00 2.88 -1.998983542e+00 2.90 -1.997890632e+00 2.92 -1.992392110e+00 2.94 -1.982858687e+00 2.96 -1.969639074e+00 2.98 -1.953060797e+00 3.00 -1.933430998e+00 3.02 -1.911037115e+00 3.04 -1.886147566e+00 3.06 -1.859012286e+00 3.08 -1.829863262e+00 3.10 -1.798914968e+00 3.12 -1.766364735e+00 3.14 -1.732393077e+00 3.16 -1.697163980e+00 3.18 -1.660825164e+00 3.20 -1.623508386e+00 3.22 -1.585329831e+00 3.24 -1.546390683e+00 3.26 -1.506778078e+00 3.28 -1.466566527e+00 3.30 -1.425820238e+00 3.32 -1.384596590e+00 3.34 -1.342951222e+00 3.36 -1.300945317e+00 3.38 -1.258655451e+00 3.40 -1.216186203e+00 3.42 -1.173685087e+00 3.44 -1.131357981e+00 3.46 -1.089481084e+00 3.48 -1.048402436e+00 3.50 -1.008523358e+00 3.52 -9.702504482e-01 3.54 -9.339164848e-01 3.56 -8.996870638e-01 3.58 -8.674927637e-01 3.60 -8.370343848e-01 3.62 -8.078801537e-01 3.64 -7.796151308e-01 3.66 -7.519613128e-01 3.68 -7.248022815e-01 3.70 -6.980891154e-01 3.72 -6.719485349e-01 3.74 -6.463958822e-01 3.76 -6.214198020e-01 3.78 -5.970070617e-01 3.80 -5.731426149e-01 3.82 -5.498096736e-01 3.84 -5.269897984e-01 3.86 -5.046629861e-01 3.88 -4.828077814e-01 3.90 -4.614014154e-01 3.92 -4.404199860e-01 3.94 -4.198386566e-01 3.96 -3.996319529e-01 3.98 -3.797740725e-01 4.00 -3.602393270e-01 4.02 -3.410026593e-01 4.04 -3.220402800e-01 4.06 -3.033304407e-01 4.08 -2.848543568e-01 4.10 -2.665972869e-01 4.12 -2.485497814e-01 4.14 -2.307090866e-01 4.16 -2.130806823e-01 4.18 -1.956799054e-01 4.20 -1.785335762e-01 4.22 -1.616815024e-01 4.24 -1.451776952e-01 4.26 -1.290910553e-01 4.28 -1.135052540e-01 4.30 -9.851745727e-02 4.32 -8.423553857e-02 4.34 -7.077342187e-02 4.36 -5.824433269e-02 4.38 -4.675203978e-02 4.40 -3.638099727e-02 4.42 -2.718850296e-02 4.44 -1.920751754e-02 4.46 -1.247855495e-02 4.48 -7.120783047e-03 4.50 -3.343770288e-03 4.52 5.673092214e-05 4.54 3.146839640e-05 4.56 1.086522453e-05 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