# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2007--Vashishta-P-Kalia-R-K-Nakano-A-Rino-J-P--Si-C # implementation = 2007--Vashishta-P--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 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 3.204384053e+02 1.22 2.781123849e+02 1.24 2.417827938e+02 1.26 2.105302187e+02 1.28 1.835659657e+02 1.30 1.602667343e+02 1.32 1.401184524e+02 1.34 1.226862566e+02 1.36 1.076227168e+02 1.38 9.462112073e+01 1.40 8.341375037e+01 1.42 7.376962147e+01 1.44 6.546889222e+01 1.46 5.828050113e+01 1.48 5.199611317e+01 1.50 4.647611233e+01 1.52 4.161296115e+01 1.54 3.731446131e+01 1.56 3.350436284e+01 1.58 3.011682449e+01 1.60 2.709996262e+01 1.62 2.440626494e+01 1.64 2.199580262e+01 1.66 1.983447336e+01 1.68 1.790238996e+01 1.70 1.617931799e+01 1.72 1.463551864e+01 1.74 1.324281741e+01 1.76 1.198414859e+01 1.78 1.084336277e+01 1.80 9.807701954e+00 1.82 8.871202577e+00 1.84 8.023709568e+00 1.86 7.254905047e+00 1.88 6.556078748e+00 1.90 5.920288949e+00 1.92 5.341394892e+00 1.94 4.811821846e+00 1.96 4.326701287e+00 1.98 3.884008506e+00 2.00 3.479949558e+00 2.02 3.110793940e+00 2.04 2.769605254e+00 2.06 2.452731183e+00 2.08 2.157944396e+00 2.10 1.883265957e+00 2.12 1.626936870e+00 2.14 1.385697222e+00 2.16 1.156397712e+00 2.18 9.425794242e-01 2.20 7.441998482e-01 2.22 5.602065222e-01 2.24 3.896583023e-01 2.26 2.314658053e-01 2.28 8.326607159e-02 2.30 -5.585230463e-02 2.32 -1.864316133e-01 2.34 -3.089548267e-01 2.36 -4.238531647e-01 2.38 -5.315132439e-01 2.40 -6.322839220e-01 2.42 -7.264829392e-01 2.44 -8.144034272e-01 2.46 -8.959100072e-01 2.48 -9.688382755e-01 2.50 -1.033121830e+00 2.52 -1.089105799e+00 2.54 -1.137138234e+00 2.56 -1.177574923e+00 2.58 -1.210782916e+00 2.60 -1.237150023e+00 2.62 -1.258904792e+00 2.64 -1.277796530e+00 2.66 -1.294141943e+00 2.68 -1.308249020e+00 2.70 -1.320403078e+00 2.72 -1.330852780e+00 2.74 -1.339799840e+00 2.76 -1.347396353e+00 2.78 -1.353751629e+00 2.80 -1.358945832e+00 2.82 -1.363043681e+00 2.84 -1.366102571e+00 2.86 -1.368581472e+00 2.88 -1.371823456e+00 2.90 -1.375932052e+00 2.92 -1.380907553e+00 2.94 -1.385935346e+00 2.96 -1.390125197e+00 2.98 -1.393511672e+00 3.00 -1.396127794e+00 3.02 -1.398004462e+00 3.04 -1.399170621e+00 3.06 -1.399653417e+00 3.08 -1.399478340e+00 3.10 -1.398669351e+00 3.12 -1.397249001e+00 3.14 -1.395238536e+00 3.16 -1.392657999e+00 3.18 -1.389526318e+00 3.20 -1.386066307e+00 3.22 -1.382622611e+00 3.24 -1.379204583e+00 3.26 -1.375816266e+00 3.28 -1.372461220e+00 3.30 -1.369142577e+00 3.32 -1.365863071e+00 3.34 -1.362625083e+00 3.36 -1.359430668e+00 3.38 -1.356281592e+00 3.40 -1.353179354e+00 3.42 -1.350125214e+00 3.44 -1.347120216e+00 3.46 -1.344165209e+00 3.48 -1.341260864e+00 3.50 -1.338407696e+00 3.52 -1.335606074e+00 3.54 -1.332856240e+00 3.56 -1.330158322e+00 3.58 -1.327512340e+00 3.60 -1.324918227e+00 3.62 -1.322375828e+00 3.64 -1.319884919e+00 3.66 -1.317445208e+00 3.68 -1.315067771e+00 3.70 -1.313001778e+00 3.72 -1.311343459e+00 3.74 -1.310085679e+00 3.76 -1.309221417e+00 3.78 -1.308743773e+00 3.80 -1.308645963e+00 3.82 -1.308921318e+00 3.84 -1.309560115e+00 3.86 -1.309982180e+00 3.88 -1.309769754e+00 3.90 -1.308934244e+00 3.92 -1.307486785e+00 3.94 -1.305438257e+00 3.96 -1.302799288e+00 3.98 -1.299580262e+00 4.00 -1.295791331e+00 4.02 -1.291442418e+00 4.04 -1.286543225e+00 4.06 -1.281103242e+00 4.08 -1.275131752e+00 4.10 -1.268637835e+00 4.12 -1.261630379e+00 4.14 -1.254118079e+00 4.16 -1.246109450e+00 4.18 -1.237612825e+00 4.20 -1.228636366e+00 4.22 -1.219188063e+00 4.24 -1.209275746e+00 4.26 -1.198907082e+00 4.28 -1.188089582e+00 4.30 -1.176830609e+00 4.32 -1.165137376e+00 4.34 -1.153016954e+00 4.36 -1.140476272e+00 4.38 -1.127522124e+00 4.40 -1.114161173e+00 4.42 -1.100399950e+00 4.44 -1.086244860e+00 4.46 -1.071702187e+00 4.48 -1.056778092e+00 4.50 -1.041478620e+00 4.52 -1.026057229e+00 4.54 -1.010811270e+00 4.56 -9.957388619e-01 4.58 -9.808375678e-01 4.60 -9.661049937e-01 4.62 -9.515387888e-01 4.64 -9.371366442e-01 4.66 -9.228962925e-01 4.68 -9.088155066e-01 4.70 -8.948920988e-01 4.72 -8.811239203e-01 4.74 -8.675088600e-01 4.76 -8.540448442e-01 4.78 -8.407298356e-01 4.80 -8.275618322e-01 4.82 -8.145388671e-01 4.84 -8.016590078e-01 4.86 -7.889203548e-01 4.88 -7.763210418e-01 4.90 -7.638592343e-01 4.92 -7.515331295e-01 4.94 -7.393409552e-01 4.96 -7.272809694e-01 4.98 -7.153514598e-01 5.00 -7.035507429e-01 5.02 -6.918771635e-01 5.04 -6.803290943e-01 5.06 -6.689049353e-01 5.08 -6.576031128e-01 5.10 -6.464220795e-01 5.12 -6.353603137e-01 5.14 -6.244163186e-01 5.16 -6.135886221e-01 5.18 -6.028757762e-01 5.20 -5.922763562e-01 5.22 -5.817889610e-01 5.24 -5.714122116e-01 5.26 -5.611447517e-01 5.28 -5.509852465e-01 5.30 -5.409323826e-01 5.32 -5.309848674e-01 5.34 -5.211414290e-01 5.36 -5.114008155e-01 5.38 -5.017617947e-01 5.40 -4.922231538e-01 5.42 -4.827836988e-01 5.44 -4.734422543e-01 5.46 -4.641976634e-01 5.48 -4.550487866e-01 5.50 -4.459945024e-01 5.52 -4.370337061e-01 5.54 -4.281653102e-01 5.56 -4.193882434e-01 5.58 -4.107014510e-01 5.60 -4.021038939e-01 5.62 -3.935945489e-01 5.64 -3.851724078e-01 5.66 -3.768364779e-01 5.68 -3.685857807e-01 5.70 -3.604193527e-01 5.72 -3.523362444e-01 5.74 -3.443355202e-01 5.76 -3.364162583e-01 5.78 -3.285775504e-01 5.80 -3.208185012e-01 5.82 -3.131382286e-01 5.84 -3.055358630e-01 5.86 -2.980105477e-01 5.88 -2.905614377e-01 5.90 -2.831877006e-01 5.92 -2.758885155e-01 5.94 -2.686630732e-01 5.96 -2.615105760e-01 5.98 -2.544302374e-01 6.00 -2.474212819e-01