# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2007--Lee-B-J--Si # implementation = 2007--Lee-B-J--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 1.155693066e+03 0.04 1.096476763e+03 0.06 1.040170478e+03 0.08 9.866352568e+02 0.10 9.357386394e+02 0.12 8.873543656e+02 0.14 8.413620885e+02 0.16 7.976471019e+02 0.18 7.561000803e+02 0.20 7.166168306e+02 0.22 6.790980556e+02 0.24 6.434491272e+02 0.26 6.095798712e+02 0.28 5.774043610e+02 0.30 5.468407209e+02 0.32 5.178109389e+02 0.34 4.902406871e+02 0.36 4.640591515e+02 0.38 4.391988684e+02 0.40 4.155955690e+02 0.42 3.931880311e+02 0.44 3.719179371e+02 0.46 3.517297391e+02 0.48 3.325705299e+02 0.50 3.143899197e+02 0.52 2.971399190e+02 0.54 2.807748262e+02 0.56 2.652511212e+02 0.58 2.505273631e+02 0.60 2.365640929e+02 0.62 2.233237411e+02 0.64 2.107705386e+02 0.66 1.988704328e+02 0.68 1.875910067e+02 0.70 1.769014023e+02 0.72 1.667722471e+02 0.74 1.571755845e+02 0.76 1.480848069e+02 0.78 1.394745921e+02 0.80 1.313208429e+02 0.82 1.236006291e+02 0.84 1.162921322e+02 0.86 1.093745934e+02 0.88 1.028282626e+02 0.90 9.663435146e+01 0.92 9.077498712e+01 0.94 8.523316913e+01 0.96 7.999272781e+01 0.98 7.503828485e+01 1.00 7.035521555e+01 1.02 6.592961295e+01 1.04 6.174825357e+01 1.06 5.779856478e+01 1.08 5.406859369e+01 1.10 5.054697749e+01 1.12 4.722291517e+01 1.14 4.408614059e+01 1.16 4.112689680e+01 1.18 3.833591154e+01 1.20 3.570437399e+01 1.22 3.322391244e+01 1.24 3.088657320e+01 1.26 2.868480040e+01 1.28 2.661141678e+01 1.30 2.465960553e+01 1.32 2.282289318e+01 1.34 2.109513372e+01 1.36 1.947049451e+01 1.38 1.794344441e+01 1.40 1.650874514e+01 1.42 1.516144675e+01 1.44 1.389688765e+01 1.46 1.271069919e+01 1.48 1.159881312e+01 1.50 1.055746836e+01 1.52 9.583211798e+00 1.54 8.672885642e+00 1.56 7.823593219e+00 1.58 7.032635008e+00 1.60 6.297408601e+00 1.62 5.615269688e+00 1.64 4.983356562e+00 1.66 4.398387702e+00 1.68 3.856450523e+00 1.70 3.352808501e+00 1.72 2.881762594e+00 1.74 2.436610009e+00 1.76 2.009747655e+00 1.78 1.592968074e+00 1.80 1.177990645e+00 1.82 7.572571319e-01 1.84 3.249916732e-01 1.86 -1.215298865e-01 1.88 -5.806507499e-01 1.90 -1.045231904e+00 1.92 -1.502225134e+00 1.94 -1.933463232e+00 1.96 -2.318097663e+00 1.98 -2.636642952e+00 2.00 -2.875778289e+00 2.02 -3.032279939e+00 2.04 -3.114348934e+00 2.06 -3.139545217e+00 2.08 -3.130125705e+00 2.10 -3.107749639e+00 2.12 -3.089488825e+00 2.14 -3.086069373e+00 2.16 -3.102126070e+00 2.18 -3.137631300e+00 2.20 -3.189646565e+00 2.22 -3.253850057e+00 2.24 -3.325625153e+00 2.26 -3.400713137e+00 2.28 -3.475529240e+00 2.30 -3.547257128e+00 2.32 -3.613816720e+00 2.34 -3.673771196e+00 2.36 -3.726213633e+00 2.38 -3.770655423e+00 2.40 -3.806926939e+00 2.42 -3.835094101e+00 2.44 -3.855390923e+00 2.46 -3.868166442e+00 2.48 -3.873843845e+00 2.50 -3.872889574e+00 2.52 -3.865790399e+00 2.54 -3.853036751e+00 2.56 -3.835110905e+00 2.58 -3.812478889e+00 2.60 -3.785585218e+00 2.62 -3.754849741e+00 2.64 -3.720666041e+00 2.66 -3.683400967e+00 2.68 -3.643394946e+00 2.70 -3.600962823e+00 2.72 -3.556395039e+00 2.74 -3.509958993e+00 2.76 -3.461900497e+00 2.78 -3.412445243e+00 2.80 -3.361800245e+00 2.82 -3.310155214e+00 2.84 -3.257683868e+00 2.86 -3.204545152e+00 2.88 -3.150884383e+00 2.90 -3.096834305e+00 2.92 -3.042516072e+00 2.94 -2.988040152e+00 2.96 -2.933507170e+00 2.98 -2.879008675e+00 3.00 -2.824627853e+00 3.02 -2.770440189e+00 3.04 -2.716514067e+00 3.06 -2.662911332e+00 3.08 -2.609687801e+00 3.10 -2.556893741e+00 3.12 -2.504574300e+00 3.14 -2.452769912e+00 3.16 -2.401516671e+00 3.18 -2.350846664e+00 3.20 -2.300788295e+00 3.22 -2.251366572e+00 3.24 -2.202603374e+00 3.26 -2.154517700e+00 3.28 -2.107125895e+00 3.30 -2.060441866e+00 3.32 -2.014477273e+00 3.34 -1.969241707e+00 3.36 -1.924742864e+00 3.38 -1.880986690e+00 3.40 -1.837977531e+00 3.42 -1.795718261e+00 3.44 -1.754210404e+00 3.46 -1.713454249e+00 3.48 -1.673448953e+00 3.50 -1.634192639e+00 3.52 -1.595682486e+00 3.54 -1.557914812e+00 3.56 -1.520885151e+00 3.58 -1.484588326e+00 3.60 -1.449018514e+00 3.62 -1.414169309e+00 3.64 -1.380033779e+00 3.66 -1.346604518e+00 3.68 -1.313873696e+00 3.70 -1.281833107e+00 3.72 -1.250474207e+00 3.74 -1.219788157e+00 3.76 -1.189765857e+00 3.78 -1.160397981e+00 3.80 -1.131675011e+00 3.82 -1.103587259e+00 3.84 -1.076124901e+00 3.86 -1.049278000e+00 3.88 -1.023036526e+00 3.90 -9.973903798e-01 3.92 -9.723294137e-01 3.94 -9.478434473e-01 3.96 -9.239222857e-01 3.98 -9.005557342e-01 4.00 -8.777336130e-01 4.02 -8.554457701e-01 4.04 -8.336820934e-01 4.06 -8.124325211e-01 4.08 -7.916870527e-01 4.10 -7.714357575e-01 4.12 -7.516687829e-01 4.14 -7.323763625e-01 4.16 -7.135488228e-01 4.18 -6.951765889e-01 4.20 -6.772501911e-01 4.22 -6.597602690e-01 4.24 -6.426975764e-01 4.26 -6.260529853e-01 4.28 -6.098174895e-01 4.30 -5.939822072e-01 4.32 -5.785383842e-01 4.34 -5.634773959e-01 4.36 -5.487907495e-01 4.38 -5.344700853e-01 4.40 -5.205071780e-01 4.42 -5.057968054e-01 4.44 -4.765096368e-01 4.46 -3.966392821e-01 4.48 -2.181938106e-01 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