# 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-Zn # implementation = 2012--Ward-D-K--Cd-Te-Zn--LAMMPS--ipr1 # composition = CdZn2 # 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 3.379331660e+00 2.02 2.988797345e+00 2.04 2.627852196e+00 2.06 2.294554473e+00 2.08 1.987163141e+00 2.10 1.704096026e+00 2.12 1.443838705e+00 2.14 1.204830197e+00 2.16 9.856819264e-01 2.18 7.839444705e-01 2.20 5.988271646e-01 2.22 4.287424919e-01 2.24 2.724939811e-01 2.26 1.289941263e-01 2.28 -2.634368934e-03 2.30 -1.229118418e-01 2.32 -2.319073151e-01 2.34 -3.293967328e-01 2.36 -4.153795859e-01 2.38 -4.905730521e-01 2.40 -5.562623590e-01 2.42 -6.141902379e-01 2.44 -6.653016705e-01 2.46 -7.100892523e-01 2.48 -7.490135719e-01 2.50 -7.825011845e-01 2.52 -8.109408997e-01 2.54 -8.346793178e-01 2.56 -8.540193752e-01 2.58 -8.692281262e-01 2.60 -8.805594381e-01 2.62 -8.882044217e-01 2.64 -8.927056151e-01 2.66 -8.941926823e-01 2.68 -8.930313304e-01 2.70 -8.895327721e-01 2.72 -8.839066028e-01 2.74 -8.763484820e-01 2.76 -8.670405122e-01 2.78 -8.561515078e-01 2.80 -8.438372462e-01 2.82 -8.302405075e-01 2.84 -8.154911126e-01 2.86 -7.997057385e-01 2.88 -7.829876687e-01 2.90 -7.654263668e-01 2.92 -7.470969233e-01 2.94 -7.280594254e-01 2.96 -7.083582166e-01 2.98 -6.880212702e-01 3.00 -6.670597493e-01 3.02 -6.454681626e-01 3.04 -6.232255372e-01 3.06 -6.002984460e-01 3.08 -5.766469862e-01 3.10 -5.522353284e-01 3.12 -5.270487803e-01 3.14 -5.011195024e-01 3.16 -4.745618839e-01 3.18 -4.476154276e-01 3.20 -4.206853077e-01 3.22 -3.943585305e-01 3.24 -3.693612366e-01 3.26 -3.464275521e-01 3.28 -3.260951354e-01 3.30 -3.085205453e-01 3.32 -2.934420488e-01 3.34 -2.803283978e-01 3.36 -2.685527520e-01 3.38 -2.578315357e-01 3.40 -2.477922570e-01 3.42 -2.379786854e-01 3.44 -2.283941967e-01 3.46 -2.190406581e-01 3.48 -2.099184570e-01 3.50 -2.010264890e-01 3.52 -1.923621441e-01 3.54 -1.839212777e-01 3.56 -1.756981601e-01 3.58 -1.676854155e-01 3.60 -1.598739446e-01 3.62 -1.522528381e-01 3.64 -1.448092856e-01 3.66 -1.375284872e-01 3.68 -1.303935860e-01 3.70 -1.233856373e-01 3.72 -1.164836506e-01 3.74 -1.096647449e-01 3.76 -1.029044777e-01 3.78 -9.617742739e-02 3.80 -8.945813580e-02 3.82 -8.272252900e-02 3.84 -7.594996541e-02 3.86 -6.912604530e-02 3.88 -6.224628261e-02 3.90 -5.532063384e-02 3.92 -4.837866016e-02 3.94 -4.147474700e-02 3.96 -3.469226624e-02 3.98 -2.814490075e-02 4.00 -2.197271945e-02 4.02 -1.633046168e-02 4.04 -1.136713907e-02 4.06 -7.203720365e-03 4.08 -3.939379901e-03 4.10 -1.709079297e-03 4.12 1.968391141e-05 4.14 4.130046521e-06 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