# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 1998--Justo-J-F-Bazant-M-Z-Kaxiras-E-et-al--Si # implementation = 1998--Justo-J-F--Si--LAMMPS--ipr1 # NOTE: These values only provide a look at the purely pair interaction # of the potential and therefore exclude multi-body interactions. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r Si Si 0.02 nan 0.04 nan 0.06 nan 0.08 nan 0.10 3.369455549e+02 0.12 2.673833442e+02 0.14 2.194299187e+02 0.16 1.845409581e+02 0.18 1.581164190e+02 0.20 1.374702359e+02 0.22 1.209335538e+02 0.24 1.074174037e+02 0.26 9.618238017e+01 0.28 8.670962682e+01 0.30 7.862481821e+01 0.32 7.165143283e+01 0.34 6.558097947e+01 0.36 6.025343005e+01 0.38 5.554400938e+01 0.40 5.135406334e+01 0.42 4.760461296e+01 0.44 4.423171861e+01 0.46 4.118308974e+01 0.48 3.841556774e+01 0.50 3.589323131e+01 0.52 3.358595233e+01 0.54 3.146828256e+01 0.56 2.951858628e+01 0.58 2.771835795e+01 0.60 2.605168056e+01 0.62 2.450479215e+01 0.64 2.306573613e+01 0.66 2.172407724e+01 0.68 2.047066912e+01 0.70 1.929746310e+01 0.72 1.819734981e+01 0.74 1.716402733e+01 0.76 1.619189081e+01 0.78 1.527593961e+01 0.80 1.441169887e+01 0.82 1.359515282e+01 0.84 1.282268809e+01 0.86 1.209104501e+01 0.88 1.139727591e+01 0.90 1.073870909e+01 0.92 1.011291765e+01 0.94 9.517692450e+00 0.96 8.951018561e+00 0.98 8.411054671e+00 1.00 7.896115075e+00 1.02 7.404653834e+00 1.04 6.935250835e+00 1.06 6.486599480e+00 1.08 6.057495784e+00 1.10 5.646828715e+00 1.12 5.253571592e+00 1.14 4.876774431e+00 1.16 4.515557105e+00 1.18 4.169103229e+00 1.20 3.836654672e+00 1.22 3.517506638e+00 1.24 3.211003233e+00 1.26 2.916533479e+00 1.28 2.633527707e+00 1.30 2.361454306e+00 1.32 2.099816772e+00 1.34 1.848151042e+00 1.36 1.606023062e+00 1.38 1.373026592e+00 1.40 1.148781192e+00 1.42 9.329304013e-01 1.44 7.251400723e-01 1.46 5.250968470e-01 1.48 3.325067705e-01 1.50 1.470940199e-01 1.52 -3.140025747e-02 1.54 -2.032190077e-01 1.56 -3.685902453e-01 1.58 -5.277279456e-01 1.60 -6.808328631e-01 1.62 -8.280932819e-01 1.64 -9.696857024e-01 1.66 -1.105775472e+00 1.68 -1.236517359e+00 1.70 -1.362056086e+00 1.72 -1.482526804e+00 1.74 -1.598055540e+00 1.76 -1.708759592e+00 1.78 -1.814747898e+00 1.80 -1.916121362e+00 1.82 -2.012973154e+00 1.84 -2.105388977e+00 1.86 -2.193447305e+00 1.88 -2.277219596e+00 1.90 -2.356770479e+00 1.92 -2.432157909e+00 1.94 -2.503433315e+00 1.96 -2.570641703e+00 1.98 -2.633821758e+00 2.00 -2.693005910e+00 2.02 -2.748220387e+00 2.04 -2.799485244e+00 2.06 -2.846814377e+00 2.08 -2.890215509e+00 2.10 -2.929690169e+00 2.12 -2.965233641e+00 2.14 -2.996834909e+00 2.16 -3.024476567e+00 2.18 -3.048134733e+00 2.20 -3.067778932e+00 2.22 -3.083371976e+00 2.24 -3.094869824e+00 2.26 -3.102221443e+00 2.28 -3.105368652e+00 2.30 -3.104245973e+00 2.32 -3.098780482e+00 2.34 -3.088891670e+00 2.36 -3.074491326e+00 2.38 -3.055483451e+00 2.40 -3.031764220e+00 2.42 -3.003222008e+00 2.44 -2.969737510e+00 2.46 -2.931183983e+00 2.48 -2.887427661e+00 2.50 -2.838328376e+00 2.52 -2.783740481e+00 2.54 -2.723514143e+00 2.56 -2.657497126e+00 2.58 -2.585546727e+00 2.60 -2.507563811e+00 2.62 -2.423459004e+00 2.64 -2.333143165e+00 2.66 -2.236532765e+00 2.68 -2.133557552e+00 2.70 -2.024171558e+00 2.72 -1.908368696e+00 2.74 -1.786204520e+00 2.76 -1.657825914e+00 2.78 -1.523510807e+00 2.80 -1.383720083e+00 2.82 -1.239163840e+00 2.84 -1.090883517e+00 2.86 -9.403499090e-01 2.88 -7.895737226e-01 2.90 -6.412187338e-01 2.92 -4.986951271e-01 2.94 -3.661879798e-01 2.96 -2.485369119e-01 2.98 -1.508224319e-01 3.00 -7.744449863e-02 3.02 -3.048750315e-02 3.04 -7.566072354e-03 3.06 -7.541221277e-04 3.08 -8.044512684e-06 3.10 -1.737143140e-11 3.12 -3.299216440e-181 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 6.02 0.000000000e+00 6.04 0.000000000e+00 6.06 0.000000000e+00 6.08 0.000000000e+00 6.10 0.000000000e+00 6.12 0.000000000e+00 6.14 0.000000000e+00 6.16 0.000000000e+00 6.18 0.000000000e+00 6.20 0.000000000e+00 6.22 0.000000000e+00 6.24 0.000000000e+00 6.26 0.000000000e+00 6.28 0.000000000e+00 6.30 0.000000000e+00 6.32 0.000000000e+00 6.34 0.000000000e+00 6.36 0.000000000e+00 6.38 0.000000000e+00 6.40 0.000000000e+00 6.42 0.000000000e+00 6.44 0.000000000e+00 6.46 0.000000000e+00 6.48 0.000000000e+00 6.50 0.000000000e+00 6.52 0.000000000e+00 6.54 0.000000000e+00 6.56 0.000000000e+00 6.58 0.000000000e+00 6.60 0.000000000e+00 6.62 0.000000000e+00 6.64 0.000000000e+00 6.66 0.000000000e+00 6.68 0.000000000e+00 6.70 0.000000000e+00 6.72 0.000000000e+00 6.74 0.000000000e+00 6.76 0.000000000e+00 6.78 0.000000000e+00 6.80 0.000000000e+00 6.82 0.000000000e+00 6.84 0.000000000e+00 6.86 0.000000000e+00 6.88 0.000000000e+00 6.90 0.000000000e+00 6.92 0.000000000e+00 6.94 0.000000000e+00 6.96 0.000000000e+00 6.98 0.000000000e+00 7.00 0.000000000e+00 7.02 0.000000000e+00 7.04 0.000000000e+00 7.06 0.000000000e+00 7.08 0.000000000e+00 7.10 0.000000000e+00 7.12 0.000000000e+00 7.14 0.000000000e+00 7.16 0.000000000e+00 7.18 0.000000000e+00 7.20 0.000000000e+00 7.22 0.000000000e+00 7.24 0.000000000e+00 7.26 0.000000000e+00 7.28 0.000000000e+00 7.30 0.000000000e+00 7.32 0.000000000e+00 7.34 0.000000000e+00 7.36 0.000000000e+00 7.38 0.000000000e+00 7.40 0.000000000e+00 7.42 0.000000000e+00 7.44 0.000000000e+00 7.46 0.000000000e+00 7.48 0.000000000e+00 7.50 0.000000000e+00 7.52 0.000000000e+00 7.54 0.000000000e+00 7.56 0.000000000e+00 7.58 0.000000000e+00 7.60 0.000000000e+00 7.62 0.000000000e+00 7.64 0.000000000e+00 7.66 0.000000000e+00 7.68 0.000000000e+00 7.70 0.000000000e+00 7.72 0.000000000e+00 7.74 0.000000000e+00 7.76 0.000000000e+00 7.78 0.000000000e+00 7.80 0.000000000e+00 7.82 0.000000000e+00 7.84 0.000000000e+00 7.86 0.000000000e+00 7.88 0.000000000e+00 7.90 0.000000000e+00 7.92 0.000000000e+00 7.94 0.000000000e+00 7.96 0.000000000e+00 7.98 0.000000000e+00 8.00 0.000000000e+00 8.02 0.000000000e+00 8.04 0.000000000e+00 8.06 0.000000000e+00 8.08 0.000000000e+00 8.10 0.000000000e+00 8.12 0.000000000e+00 8.14 0.000000000e+00 8.16 0.000000000e+00 8.18 0.000000000e+00 8.20 0.000000000e+00 8.22 0.000000000e+00 8.24 0.000000000e+00 8.26 0.000000000e+00 8.28 0.000000000e+00 8.30 0.000000000e+00 8.32 0.000000000e+00 8.34 0.000000000e+00 8.36 0.000000000e+00 8.38 0.000000000e+00 8.40 0.000000000e+00 8.42 0.000000000e+00 8.44 0.000000000e+00 8.46 0.000000000e+00 8.48 0.000000000e+00 8.50 0.000000000e+00 8.52 0.000000000e+00 8.54 0.000000000e+00 8.56 0.000000000e+00 8.58 0.000000000e+00 8.60 0.000000000e+00 8.62 0.000000000e+00 8.64 0.000000000e+00 8.66 0.000000000e+00 8.68 0.000000000e+00 8.70 0.000000000e+00 8.72 0.000000000e+00 8.74 0.000000000e+00 8.76 0.000000000e+00 8.78 0.000000000e+00 8.80 0.000000000e+00 8.82 0.000000000e+00 8.84 0.000000000e+00 8.86 0.000000000e+00 8.88 0.000000000e+00 8.90 0.000000000e+00 8.92 0.000000000e+00 8.94 0.000000000e+00 8.96 0.000000000e+00 8.98 0.000000000e+00 9.00 0.000000000e+00 9.02 0.000000000e+00 9.04 0.000000000e+00 9.06 0.000000000e+00 9.08 0.000000000e+00 9.10 0.000000000e+00 9.12 0.000000000e+00 9.14 0.000000000e+00 9.16 0.000000000e+00 9.18 0.000000000e+00 9.20 0.000000000e+00 9.22 0.000000000e+00 9.24 0.000000000e+00 9.26 0.000000000e+00 9.28 0.000000000e+00 9.30 0.000000000e+00 9.32 0.000000000e+00 9.34 0.000000000e+00 9.36 0.000000000e+00 9.38 0.000000000e+00 9.40 0.000000000e+00 9.42 0.000000000e+00 9.44 0.000000000e+00 9.46 0.000000000e+00 9.48 0.000000000e+00 9.50 0.000000000e+00 9.52 0.000000000e+00 9.54 0.000000000e+00 9.56 0.000000000e+00 9.58 0.000000000e+00 9.60 0.000000000e+00 9.62 0.000000000e+00 9.64 0.000000000e+00 9.66 0.000000000e+00 9.68 0.000000000e+00 9.70 0.000000000e+00 9.72 0.000000000e+00 9.74 0.000000000e+00 9.76 0.000000000e+00 9.78 0.000000000e+00 9.80 0.000000000e+00 9.82 0.000000000e+00 9.84 0.000000000e+00 9.86 0.000000000e+00 9.88 0.000000000e+00 9.90 0.000000000e+00 9.92 0.000000000e+00 9.94 0.000000000e+00 9.96 0.000000000e+00 9.98 0.000000000e+00 10.00 0.000000000e+00