# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1990--Vashishta-P-Kalia-R-K-Rino-J-P-Ebbsjo-I--Si-O # implementation = 1990--Vashishta-P--Si-O--LAMMPS--ipr1 # composition = OSi2 # 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 nan 0.66 nan 0.68 nan 0.70 nan 0.72 nan 0.74 nan 0.76 nan 0.78 nan 0.80 nan 0.82 nan 0.84 nan 0.86 nan 0.88 nan 0.90 nan 0.92 nan 0.94 nan 0.96 nan 0.98 nan 1.00 nan 1.02 nan 1.04 nan 1.06 nan 1.08 nan 1.10 nan 1.12 nan 1.14 nan 1.16 nan 1.18 nan 1.20 nan 1.22 nan 1.24 nan 1.26 nan 1.28 nan 1.30 nan 1.32 nan 1.34 nan 1.36 nan 1.38 nan 1.40 nan 1.42 nan 1.44 nan 1.46 nan 1.48 nan 1.50 nan 1.52 nan 1.54 1.223461107e+02 1.56 1.169420915e+02 1.58 1.118553497e+02 1.60 1.070608402e+02 1.62 1.025240478e+02 1.64 9.821527919e+01 1.66 9.412128874e+01 1.68 9.022803365e+01 1.70 8.652554743e+01 1.72 8.299135209e+01 1.74 7.960525596e+01 1.76 7.635876712e+01 1.78 7.324885872e+01 1.80 7.026408215e+01 1.82 6.739947887e+01 1.84 6.465583893e+01 1.86 6.202988395e+01 1.88 5.951290698e+01 1.90 5.710015769e+01 1.92 5.478394458e+01 1.94 5.256617487e+01 1.96 5.044072155e+01 1.98 4.840396859e+01 2.00 4.645363033e+01 2.02 4.458808519e+01 2.04 4.280975427e+01 2.06 4.111384526e+01 2.08 3.949467427e+01 2.10 3.795193095e+01 2.12 3.648025269e+01 2.14 3.507560674e+01 2.16 3.373847292e+01 2.18 3.246785605e+01 2.20 3.126191102e+01 2.22 3.011937497e+01 2.24 2.903860881e+01 2.26 2.801772440e+01 2.28 2.705886756e+01 2.30 2.616069771e+01 2.32 2.531908298e+01 2.34 2.452306204e+01 2.36 2.376591003e+01 2.38 2.304354250e+01 2.40 2.235213782e+01 2.42 2.168673851e+01 2.44 2.104351306e+01 2.46 2.042346958e+01 2.48 1.982560212e+01 2.50 1.924919090e+01 2.52 1.869301211e+01 2.54 1.815592594e+01 2.56 1.763752445e+01 2.58 1.713741212e+01 2.60 1.665520513e+01 2.62 1.619019424e+01 2.64 1.573946982e+01 2.66 1.530294944e+01 2.68 1.488129264e+01 2.70 1.447420602e+01 2.72 1.408140029e+01 2.74 1.370258531e+01 2.76 1.333550534e+01 2.78 1.297842701e+01 2.80 1.263116407e+01 2.82 1.229353478e+01 2.84 1.196536175e+01 2.86 1.164647180e+01 2.88 1.133669584e+01 2.90 1.103509580e+01 2.92 1.073899461e+01 2.94 1.044862489e+01 2.96 1.016590776e+01 2.98 9.890910315e+00 3.00 9.623497085e+00 3.02 9.363535603e+00 3.04 9.110896312e+00 3.06 8.865452490e+00 3.08 8.626501694e+00 3.10 8.393116991e+00 3.12 8.165200295e+00 3.14 7.942661517e+00 3.16 7.725412386e+00 3.18 7.513366402e+00 3.20 7.306438797e+00 3.22 7.104546496e+00 3.24 6.907608071e+00 3.26 6.715543712e+00 3.28 6.528275183e+00 3.30 6.345725791e+00 3.32 6.167820346e+00 3.34 5.994564041e+00 3.36 5.826902824e+00 3.38 5.665058061e+00 3.40 5.508935548e+00 3.42 5.358443011e+00 3.44 5.213490061e+00 3.46 5.073988148e+00 3.48 4.939850516e+00 3.50 4.810992158e+00 3.52 4.687329778e+00 3.54 4.568728894e+00 3.56 4.453690794e+00 3.58 4.341529443e+00 3.60 4.232202624e+00 3.62 4.125668869e+00 3.64 4.021887448e+00 3.66 3.920818351e+00 3.68 3.822422280e+00 3.70 3.726660628e+00 3.72 3.633495472e+00 3.74 3.542889555e+00 3.76 3.454806278e+00 3.78 3.369209683e+00 3.80 3.286064440e+00 3.82 3.205335841e+00 3.84 3.126989780e+00 3.86 3.050992748e+00 3.88 2.977215199e+00 3.90 2.904489569e+00 3.92 2.832475484e+00 3.94 2.761165154e+00 3.96 2.690550858e+00 3.98 2.620663367e+00 4.00 2.552029978e+00 4.02 2.484806114e+00 4.04 2.418973302e+00 4.06 2.354513360e+00 4.08 2.291408392e+00 4.10 2.229640786e+00 4.12 2.169193204e+00 4.14 2.110048580e+00 4.16 2.052190118e+00 4.18 1.995601284e+00 4.20 1.940265802e+00 4.22 1.886167653e+00 4.24 1.833291066e+00 4.26 1.781620516e+00 4.28 1.731140722e+00 4.30 1.681836639e+00 4.32 1.633693457e+00 4.34 1.586653588e+00 4.36 1.540439780e+00 4.38 1.494997254e+00 4.40 1.450316819e+00 4.42 1.406389413e+00 4.44 1.363206103e+00 4.46 1.320758080e+00 4.48 1.279036658e+00 4.50 1.238033275e+00 4.52 1.197739489e+00 4.54 1.158146977e+00 4.56 1.119247532e+00 4.58 1.081033063e+00 4.60 1.043495593e+00 4.62 1.006627258e+00 4.64 9.704203019e-01 4.66 9.348670802e-01 4.68 8.999600543e-01 4.70 8.656917914e-01 4.72 8.320549631e-01 4.74 7.990423434e-01 4.76 7.666468076e-01 4.78 7.348613303e-01 4.80 7.036789844e-01 4.82 6.730929392e-01 4.84 6.430964594e-01 4.86 6.136829031e-01 4.88 5.848457209e-01 4.90 5.565784542e-01 4.92 5.288747339e-01 4.94 5.017282792e-01 4.96 4.751328958e-01 4.98 4.490824753e-01 5.00 4.235709930e-01 5.02 3.984358515e-01 5.04 3.735170216e-01 5.06 3.488124093e-01 5.08 3.243199418e-01 5.10 3.000375672e-01 5.12 2.759632545e-01 5.14 2.520949938e-01 5.16 2.284307956e-01 5.18 2.049686911e-01 5.20 1.817067321e-01 5.22 1.586429908e-01 5.24 1.359447118e-01 5.26 1.138683584e-01 5.28 9.241008408e-02 5.30 7.156318569e-02 5.32 5.132105404e-02 5.34 3.167717205e-02 5.36 1.262511331e-02 5.38 -5.841459503e-03 5.40 -2.372879602e-02 5.42 -4.104305969e-02 5.44 -5.779032919e-02 5.46 -7.397659981e-02 5.48 -8.960778483e-02 5.50 -1.046897169e-01 5.52 -1.192281492e-01 5.54 -1.332287571e-01 5.56 -1.466971391e-01 5.58 -1.596388180e-01 5.60 -1.720592424e-01 5.62 -1.839637881e-01 5.64 -1.953577586e-01 5.66 -2.062463867e-01 5.68 -2.166348358e-01 5.70 -2.265282007e-01 5.72 -2.359315086e-01 5.74 -2.448497207e-01 5.76 -2.532877327e-01 5.78 -2.612503761e-01 5.80 -2.687424193e-01 5.82 -2.757685684e-01 5.84 -2.823334682e-01 5.86 -2.884417034e-01 5.88 -2.940977993e-01 5.90 -2.993062227e-01 5.92 -3.040713831e-01 5.94 -3.083976332e-01 5.96 -3.122892704e-01 5.98 -3.157505367e-01 6.00 -3.187856206e-01