# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2012--Ward-D-K-Zhou-X-W-Wong-B-M-et-al--Cd-Te # implementation = 2012--Ward-D-K--Cd-Te--LAMMPS--ipr1 # 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 2.00 2.754938797e+01 2.02 2.565487631e+01 2.04 2.387452190e+01 2.06 2.220131537e+01 2.08 2.062872092e+01 2.10 1.915061694e+01 2.12 1.776128593e+01 2.14 1.645547116e+01 2.16 1.522788964e+01 2.18 1.407414851e+01 2.20 1.298985682e+01 2.22 1.197094999e+01 2.24 1.101363133e+01 2.26 1.011434520e+01 2.28 9.269762052e+00 2.30 8.476762247e+00 2.32 7.732424171e+00 2.34 7.034011329e+00 2.36 6.378960822e+00 2.38 5.764872750e+00 2.40 5.189498324e+00 2.42 4.650728662e+00 2.44 4.146582406e+00 2.46 3.675192362e+00 2.48 3.234794403e+00 2.50 2.823721198e+00 2.52 2.440400930e+00 2.54 2.083362100e+00 2.56 1.751234693e+00 2.58 1.442754586e+00 2.60 1.156622334e+00 2.62 8.917520442e-01 2.64 6.463234439e-01 2.66 4.193019156e-01 2.68 2.092324276e-01 2.70 1.485612807e-02 2.72 -1.647184755e-01 2.74 -3.305535392e-01 2.76 -4.828814975e-01 2.78 -6.224826414e-01 2.80 -7.500693317e-01 2.82 -8.663205179e-01 2.84 -9.718836162e-01 2.86 -1.067375838e+00 2.88 -1.153384437e+00 2.90 -1.230470003e+00 2.92 -1.299165895e+00 2.94 -1.359979926e+00 2.96 -1.413396259e+00 2.98 -1.459875452e+00 3.00 -1.499855968e+00 3.02 -1.533754497e+00 3.04 -1.561968088e+00 3.06 -1.584873857e+00 3.08 -1.602830302e+00 3.10 -1.616178076e+00 3.12 -1.625240729e+00 3.14 -1.630325280e+00 3.16 -1.631723208e+00 3.18 -1.629710779e+00 3.20 -1.624549850e+00 3.22 -1.616488488e+00 3.24 -1.605761431e+00 3.26 -1.592590773e+00 3.28 -1.577186356e+00 3.30 -1.559746441e+00 3.32 -1.540458043e+00 3.34 -1.519497580e+00 3.36 -1.497031323e+00 3.38 -1.473216013e+00 3.40 -1.448199200e+00 3.42 -1.422120113e+00 3.44 -1.395110082e+00 3.46 -1.367293328e+00 3.48 -1.338787537e+00 3.50 -1.309704805e+00 3.52 -1.280151778e+00 3.54 -1.250230306e+00 3.56 -1.220037197e+00 3.58 -1.189663475e+00 3.60 -1.159193343e+00 3.62 -1.128702708e+00 3.64 -1.098258139e+00 3.66 -1.067916910e+00 3.68 -1.037728231e+00 3.70 -1.007735647e+00 3.72 -9.779271332e-01 3.74 -9.484845312e-01 3.76 -9.193256121e-01 3.78 -8.904955030e-01 3.80 -8.620326039e-01 3.82 -8.339629910e-01 3.84 -8.063096325e-01 3.86 -7.790924754e-01 3.88 -7.523285076e-01 3.90 -7.260319539e-01 3.92 -7.002143900e-01 3.94 -6.748848941e-01 3.96 -6.500500368e-01 3.98 -6.257141180e-01 4.00 -6.018792172e-01 4.02 -5.785453586e-01 4.04 -5.557105581e-01 4.06 -5.333708616e-01 4.08 -5.115206313e-01 4.10 -4.901525735e-01 4.12 -4.692577114e-01 4.14 -4.488257276e-01 4.16 -4.288450295e-01 4.18 -4.093028473e-01 4.20 -3.901854362e-01 4.22 -3.714783043e-01 4.24 -3.531663328e-01 4.26 -3.352341531e-01 4.28 -3.176663782e-01 4.30 -3.004479490e-01 4.32 -2.835645494e-01 4.34 -2.670030457e-01 4.36 -2.507520200e-01 4.38 -2.348023577e-01 4.40 -2.191478972e-01 4.42 -2.037861709e-01 4.44 -1.887191517e-01 4.46 -1.739540660e-01 4.48 -1.595041875e-01 4.50 -1.453895681e-01 4.52 -1.316376433e-01 4.54 -1.182836446e-01 4.56 -1.053706296e-01 4.58 -9.294909140e-02 4.60 -8.107591608e-02 4.62 -6.981257900e-02 4.64 -5.922240735e-02 4.66 -4.936689662e-02 4.68 -4.030114810e-02 4.70 -3.206904129e-02 4.72 -2.469982219e-02 4.74 -1.821020101e-02 4.76 -1.262010015e-02 4.78 -7.988016091e-03 4.80 -4.435429258e-03 4.82 -2.062651234e-03 4.84 3.401856998e-05 4.86 1.686458058e-05 4.88 6.150199419e-06 4.90 1.012493999e-17 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