# 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 = 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 3.030861237e+03 0.64 2.698054158e+03 0.66 2.415355722e+03 0.68 2.169203140e+03 0.70 1.952516405e+03 0.72 1.755356052e+03 0.74 1.577865454e+03 0.76 1.416884688e+03 0.78 1.277379566e+03 0.80 1.156772163e+03 0.82 1.053769791e+03 0.84 9.610283897e+02 0.86 8.776465199e+02 0.88 8.021312068e+02 0.90 7.317205245e+02 0.92 6.642699921e+02 0.94 6.024200156e+02 0.96 5.476283395e+02 0.98 4.997323129e+02 1.00 4.557742371e+02 1.02 4.134592098e+02 1.04 3.740468214e+02 1.06 3.392084325e+02 1.08 3.102054601e+02 1.10 2.848614659e+02 1.12 2.596187400e+02 1.14 2.349947839e+02 1.16 2.115503044e+02 1.18 1.897619778e+02 1.20 1.700922611e+02 1.22 1.533543569e+02 1.24 1.404479051e+02 1.26 1.293086599e+02 1.28 1.182660013e+02 1.30 1.074150784e+02 1.32 9.700772426e+01 1.34 8.730557614e+01 1.36 7.856244016e+01 1.38 7.098776211e+01 1.40 6.468070449e+01 1.42 5.921388347e+01 1.44 5.415693218e+01 1.46 4.948053246e+01 1.48 4.515742736e+01 1.50 4.116227665e+01 1.52 3.747152248e+01 1.54 3.399996638e+01 1.56 3.032362179e+01 1.58 2.648887066e+01 1.60 2.263914007e+01 1.62 1.890166117e+01 1.64 1.538779786e+01 1.66 1.221059597e+01 1.68 9.509399690e+00 1.70 7.445081553e+00 1.72 6.100505770e+00 1.74 5.029156292e+00 1.76 4.049887626e+00 1.78 3.156065630e+00 1.80 2.341499600e+00 1.82 1.600413725e+00 1.84 9.274203365e-01 1.86 3.174948558e-01 1.88 -2.340476840e-01 1.90 -7.315746245e-01 1.92 -1.179156280e+00 1.94 -1.580585229e+00 1.96 -1.939394383e+00 1.98 -2.258873909e+00 2.00 -2.542087077e+00 2.02 -2.791885099e+00 2.04 -3.010921027e+00 2.06 -3.201662761e+00 2.08 -3.366302060e+00 2.10 -3.502208126e+00 2.12 -3.605185644e+00 2.14 -3.672827466e+00 2.16 -3.704483678e+00 2.18 -3.698075036e+00 2.20 -3.635816286e+00 2.22 -3.497459506e+00 2.24 -3.268070118e+00 2.26 -2.940884557e+00 2.28 -2.520184500e+00 2.30 -2.024370816e+00 2.32 -1.489813534e+00 2.34 -9.749119695e-01 2.36 -5.562227077e-01 2.38 -2.757045252e-01 2.40 -8.697095381e-02 2.42 -3.346704743e-03 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