# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2008--Kim-E-H-Shin-Y-H-Lee-B-J--Ge # implementation = 2008--Kim-E-H--Ge--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 Ge Ge 0.02 1.136517752e+03 0.04 1.079512190e+03 0.06 1.025255072e+03 0.08 9.736174716e+02 0.10 9.244763890e+02 0.12 8.777144840e+02 0.14 8.332198185e+02 0.16 7.908856121e+02 0.18 7.506100082e+02 0.20 7.122958506e+02 0.22 6.758504697e+02 0.24 6.411854795e+02 0.26 6.082165821e+02 0.28 5.768633820e+02 0.30 5.470492087e+02 0.32 5.187009468e+02 0.34 4.917488741e+02 0.36 4.661265069e+02 0.38 4.417704523e+02 0.40 4.186202666e+02 0.42 3.966183213e+02 0.44 3.757096738e+02 0.46 3.558419448e+02 0.48 3.369652008e+02 0.50 3.190318421e+02 0.52 3.019964960e+02 0.54 2.858159141e+02 0.56 2.704488754e+02 0.58 2.558560928e+02 0.60 2.420001241e+02 0.62 2.288452875e+02 0.64 2.163575801e+02 0.66 2.045046008e+02 0.68 1.932554763e+02 0.70 1.825807906e+02 0.72 1.724525181e+02 0.74 1.628439584e+02 0.76 1.537296759e+02 0.78 1.450854409e+02 0.80 1.368881735e+02 0.82 1.291158907e+02 0.84 1.217476553e+02 0.86 1.147635270e+02 0.88 1.081445166e+02 0.90 1.018725415e+02 0.92 9.593038327e+01 0.94 9.030164770e+01 0.96 8.497072614e+01 0.98 7.992275886e+01 1.00 7.514360008e+01 1.02 7.061978449e+01 1.04 6.633849544e+01 1.06 6.228753451e+01 1.08 5.845529250e+01 1.10 5.483072178e+01 1.12 5.140330984e+01 1.14 4.816305420e+01 1.16 4.510043838e+01 1.18 4.220640920e+01 1.20 3.947235520e+01 1.22 3.689008648e+01 1.24 3.445181601e+01 1.26 3.215014278e+01 1.28 2.997803706e+01 1.30 2.792882820e+01 1.32 2.599619498e+01 1.34 2.417415875e+01 1.36 2.245707854e+01 1.38 2.083964707e+01 1.40 1.931688598e+01 1.42 1.788413756e+01 1.44 1.653705032e+01 1.46 1.527155522e+01 1.48 1.408382999e+01 1.50 1.297024958e+01 1.52 1.192732194e+01 1.54 1.095160999e+01 1.56 1.003964241e+01 1.58 9.187817687e+00 1.60 8.392307958e+00 1.62 7.648970821e+00 1.64 6.953278753e+00 1.66 6.300276769e+00 1.68 5.684579348e+00 1.70 5.100417573e+00 1.72 4.541746840e+00 1.74 4.002424526e+00 1.76 3.476465631e+00 1.78 2.958382176e+00 1.80 2.443608019e+00 1.82 1.929002612e+00 1.84 1.413412010e+00 1.86 8.982392839e-01 1.88 3.879368385e-01 1.90 -1.097181458e-01 1.92 -5.837542022e-01 1.94 -1.020751156e+00 1.96 -1.406354125e+00 1.98 -1.727532021e+00 2.00 -1.975254621e+00 2.02 -2.146925834e+00 2.04 -2.247733714e+00 2.06 -2.290262564e+00 2.08 -2.292290026e+00 2.10 -2.273409656e+00 2.12 -2.251567374e+00 2.14 -2.240521314e+00 2.16 -2.248726030e+00 2.18 -2.279546730e+00 2.20 -2.332331756e+00 2.22 -2.403799399e+00 2.24 -2.489331984e+00 2.26 -2.583969494e+00 2.28 -2.683057436e+00 2.30 -2.782596665e+00 2.32 -2.879376608e+00 2.34 -2.970971390e+00 2.36 -3.055661261e+00 2.38 -3.132322030e+00 2.40 -3.200308604e+00 2.42 -3.259346745e+00 2.44 -3.309439377e+00 2.46 -3.350789211e+00 2.48 -3.383736973e+00 2.50 -3.408713410e+00 2.52 -3.426202879e+00 2.54 -3.436716354e+00 2.56 -3.440771904e+00 2.58 -3.438880990e+00 2.60 -3.431539209e+00 2.62 -3.419220369e+00 2.64 -3.402373015e+00 2.66 -3.381418730e+00 2.68 -3.356751659e+00 2.70 -3.328738864e+00 2.72 -3.297721215e+00 2.74 -3.264014596e+00 2.76 -3.227911279e+00 2.78 -3.189681364e+00 2.80 -3.149574220e+00 2.82 -3.107819889e+00 2.84 -3.064630425e+00 2.86 -3.020201170e+00 2.88 -2.974711943e+00 2.90 -2.928328163e+00 2.92 -2.881201893e+00 2.94 -2.833472810e+00 2.96 -2.785269116e+00 2.98 -2.736708378e+00 3.00 -2.687898313e+00 3.02 -2.638937512e+00 3.04 -2.589916117e+00 3.06 -2.540916446e+00 3.08 -2.492013572e+00 3.10 -2.443275863e+00 3.12 -2.394765478e+00 3.14 -2.346538831e+00 3.16 -2.298647018e+00 3.18 -2.251136212e+00 3.20 -2.204048034e+00 3.22 -2.157419892e+00 3.24 -2.111285293e+00 3.26 -2.065674141e+00 3.28 -2.020613008e+00 3.30 -1.976125381e+00 3.32 -1.932231898e+00 3.34 -1.888950564e+00 3.36 -1.846296954e+00 3.38 -1.804284395e+00 3.40 -1.762924143e+00 3.42 -1.722225539e+00 3.44 -1.682196163e+00 3.46 -1.642841969e+00 3.48 -1.604167415e+00 3.50 -1.566175581e+00 3.52 -1.528868284e+00 3.54 -1.492246175e+00 3.56 -1.456308841e+00 3.58 -1.421054889e+00 3.60 -1.386482034e+00 3.62 -1.352587171e+00 3.64 -1.319366452e+00 3.66 -1.286815347e+00 3.68 -1.254928711e+00 3.70 -1.223700839e+00 3.72 -1.193125520e+00 3.74 -1.163196088e+00 3.76 -1.133905467e+00 3.78 -1.105246214e+00 3.80 -1.077210561e+00 3.82 -1.049790449e+00 3.84 -1.022977568e+00 3.86 -9.967633816e-01 3.88 -9.711391641e-01 3.90 -9.460960235e-01 3.92 -9.216249289e-01 3.94 -8.977167342e-01 3.96 -8.743621999e-01 3.98 -8.515520138e-01 4.00 -8.292768097e-01 4.02 -8.075271849e-01 4.04 -7.862937161e-01 4.06 -7.655669749e-01 4.08 -7.453375408e-01 4.10 -7.255960143e-01 4.12 -7.063330282e-01 4.14 -6.875392587e-01 4.16 -6.692054345e-01 4.18 -6.513223462e-01 4.20 -6.338808543e-01 4.22 -6.168718968e-01 4.24 -6.002864954e-01 4.26 -5.841157623e-01 4.28 -5.683509052e-01 4.30 -5.529832323e-01 4.32 -5.380041571e-01 4.34 -5.234052018e-01 4.36 -5.091780012e-01 4.38 -4.953143055e-01 4.40 -4.818059833e-01 4.42 -4.675919569e-01 4.44 -4.394368485e-01 4.46 -3.633784430e-01 4.48 -1.968224239e-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