# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2007--Munetoh-S-Motooka-T-Moriguchi-K-Shintani-A--Si-O # implementation = 2007--Munetoh-S--Si-O--LAMMPS--ipr1 # composition = O2Si # 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 1.740821583e+03 0.64 1.543125943e+03 0.66 1.373196664e+03 0.68 1.226139881e+03 0.70 1.099436127e+03 0.72 9.827116834e+02 0.74 8.767538431e+02 0.76 7.849432749e+02 0.78 7.079718946e+02 0.80 6.406647219e+02 0.82 5.799894265e+02 0.84 5.247661998e+02 0.86 4.745583696e+02 0.88 4.287420606e+02 0.90 3.862891004e+02 0.92 3.464759675e+02 0.94 3.108184350e+02 0.96 2.797494763e+02 0.98 2.532205601e+02 1.00 2.312907877e+02 1.02 2.116905459e+02 1.04 1.937867420e+02 1.06 1.772539286e+02 1.08 1.618168317e+02 1.10 1.465979646e+02 1.12 1.313164592e+02 1.14 1.163896893e+02 1.16 1.021177297e+02 1.18 8.875746041e+01 1.20 7.679086432e+01 1.22 6.721964742e+01 1.24 6.056095286e+01 1.26 5.506769900e+01 1.28 5.002057777e+01 1.30 4.538480994e+01 1.32 4.112829513e+01 1.34 3.722140494e+01 1.36 3.363679229e+01 1.38 3.034921555e+01 1.40 2.733537637e+01 1.42 2.457377016e+01 1.44 2.204454810e+01 1.46 1.972938990e+01 1.48 1.760234387e+01 1.50 1.556742542e+01 1.52 1.360911246e+01 1.54 1.170548580e+01 1.56 9.693983587e+00 1.58 7.599658046e+00 1.60 5.478072798e+00 1.62 3.367567845e+00 1.64 1.292426904e+00 1.66 -7.154890619e-01 1.68 -2.570683205e+00 1.70 -4.080837179e+00 1.72 -4.975330560e+00 1.74 -5.271702061e+00 1.76 -5.429399233e+00 1.78 -5.557039711e+00 1.80 -5.657355235e+00 1.82 -5.732869802e+00 1.84 -5.785914321e+00 1.86 -5.818640264e+00 1.88 -5.833032394e+00 1.90 -5.830920621e+00 1.92 -5.813991057e+00 1.94 -5.783796312e+00 1.96 -5.741765086e+00 1.98 -5.689211103e+00 2.00 -5.627341436e+00 2.02 -5.557264249e+00 2.04 -5.479996020e+00 2.06 -5.396468253e+00 2.08 -5.280707347e+00 2.10 -5.097004888e+00 2.12 -4.845631930e+00 2.14 -4.528202933e+00 2.16 -4.148216119e+00 2.18 -3.711742502e+00 2.20 -3.228057781e+00 2.22 -2.710200490e+00 2.24 -2.175414079e+00 2.26 -1.645358921e+00 2.28 -1.145843260e+00 2.30 -7.056391117e-01 2.32 -3.538546812e-01 2.34 -1.156229503e-01 2.36 -6.764838547e-03 2.38 0.000000000e+00 2.40 0.000000000e+00 2.42 0.000000000e+00 2.44 0.000000000e+00 2.46 0.000000000e+00 2.48 0.000000000e+00 2.50 0.000000000e+00 2.52 0.000000000e+00 2.54 0.000000000e+00 2.56 0.000000000e+00 2.58 0.000000000e+00 2.60 0.000000000e+00 2.62 0.000000000e+00 2.64 0.000000000e+00 2.66 0.000000000e+00 2.68 0.000000000e+00 2.70 0.000000000e+00 2.72 0.000000000e+00 2.74 0.000000000e+00 2.76 0.000000000e+00 2.78 0.000000000e+00 2.80 0.000000000e+00 2.82 0.000000000e+00 2.84 0.000000000e+00 2.86 0.000000000e+00 2.88 0.000000000e+00 2.90 0.000000000e+00 2.92 0.000000000e+00 2.94 0.000000000e+00 2.96 0.000000000e+00 2.98 0.000000000e+00 3.00 0.000000000e+00 3.02 0.000000000e+00 3.04 0.000000000e+00 3.06 0.000000000e+00 3.08 0.000000000e+00 3.10 0.000000000e+00 3.12 0.000000000e+00 3.14 0.000000000e+00 3.16 0.000000000e+00 3.18 0.000000000e+00 3.20 0.000000000e+00 3.22 0.000000000e+00 3.24 0.000000000e+00 3.26 0.000000000e+00 3.28 0.000000000e+00 3.30 0.000000000e+00 3.32 0.000000000e+00 3.34 0.000000000e+00 3.36 0.000000000e+00 3.38 0.000000000e+00 3.40 0.000000000e+00 3.42 0.000000000e+00 3.44 0.000000000e+00 3.46 0.000000000e+00 3.48 0.000000000e+00 3.50 0.000000000e+00 3.52 0.000000000e+00 3.54 0.000000000e+00 3.56 0.000000000e+00 3.58 0.000000000e+00 3.60 0.000000000e+00 3.62 0.000000000e+00 3.64 0.000000000e+00 3.66 0.000000000e+00 3.68 0.000000000e+00 3.70 0.000000000e+00 3.72 0.000000000e+00 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