# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1998--Devanathan-R-Diaz-de-la-Rubia-T-Weber-W-J--Si-C # implementation = 1998--Devanathan-R--Si-C--LAMMPS--ipr1 # composition = C2Si # 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 1.461358489e+03 0.66 1.301269364e+03 0.68 1.151971086e+03 0.70 1.020475309e+03 0.72 9.072237488e+02 0.74 8.134663024e+02 0.76 7.300174415e+02 0.78 6.532010865e+02 0.80 5.864925875e+02 0.82 5.326075823e+02 0.84 4.898767634e+02 0.86 4.527648044e+02 0.88 4.198929214e+02 0.90 3.898572295e+02 0.92 3.617659646e+02 0.94 3.351908156e+02 0.96 3.103722243e+02 0.98 2.868846372e+02 1.00 2.654334013e+02 1.02 2.456099237e+02 1.04 2.274824530e+02 1.06 2.118930873e+02 1.08 1.978517579e+02 1.10 1.843187656e+02 1.12 1.711088298e+02 1.14 1.580096403e+02 1.16 1.451844299e+02 1.18 1.317462393e+02 1.20 1.175891780e+02 1.22 1.031714934e+02 1.24 8.888898998e+01 1.26 7.526581419e+01 1.28 6.345490475e+01 1.30 5.503926468e+01 1.32 4.979189418e+01 1.34 4.534571075e+01 1.36 4.123773063e+01 1.38 3.744531372e+01 1.40 3.394676773e+01 1.42 3.072148437e+01 1.44 2.775000640e+01 1.46 2.501404716e+01 1.48 2.249647824e+01 1.50 2.018129663e+01 1.52 1.805357892e+01 1.54 1.609942817e+01 1.56 1.430571098e+01 1.58 1.259681320e+01 1.60 1.092737937e+01 1.62 9.305716014e+00 1.64 7.734072348e+00 1.66 6.199737059e+00 1.68 4.584931539e+00 1.70 2.884165147e+00 1.72 1.137460306e+00 1.74 -6.046363105e-01 1.76 -2.267872659e+00 1.78 -3.739279789e+00 1.80 -4.866013614e+00 1.82 -5.491699693e+00 1.84 -5.721021823e+00 1.86 -5.837269762e+00 1.88 -5.929134508e+00 1.90 -5.998723460e+00 1.92 -6.047994554e+00 1.94 -6.078766018e+00 1.96 -6.092725516e+00 1.98 -6.091438716e+00 2.00 -6.076357313e+00 2.02 -6.048826555e+00 2.04 -6.010092292e+00 2.06 -5.961307575e+00 2.08 -5.903538847e+00 2.10 -5.837771739e+00 2.12 -5.764916496e+00 2.14 -5.685813063e+00 2.16 -5.601235850e+00 2.18 -5.511898187e+00 2.20 -5.418456499e+00 2.22 -5.309343125e+00 2.24 -5.114177832e+00 2.26 -4.828255944e+00 2.28 -4.462152870e+00 2.30 -4.029154915e+00 2.32 -3.544946072e+00 2.34 -3.027217323e+00 2.36 -2.495202987e+00 2.38 -1.969143604e+00 2.40 -1.469664129e+00 2.42 -1.017040987e+00 2.44 -6.303160195e-01 2.46 -3.262086816e-01 2.48 -1.177936751e-01 2.50 -1.295669202e-02 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