# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2016--Borovikov-V-Mendelev-M-I-King-A-H--fictional-Cu-34 # implementation = 2016--Borovikov-V--fictional-Cu-34--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 Cu Cu 0.02 4.183503419e+13 0.04 1.683503419e+13 0.06 8.501700860e+12 0.08 4.335034193e+12 0.10 5.550412452e+11 0.12 3.887467065e+04 0.14 2.945564880e+04 0.16 2.288998209e+04 0.18 1.814125302e+04 0.20 1.460761249e+04 0.22 1.191807804e+04 0.24 9.832933827e+03 0.26 8.191288537e+03 0.28 6.881750237e+03 0.30 5.825187289e+03 0.32 4.964158028e+03 0.34 4.256193035e+03 0.36 3.669392724e+03 0.38 3.179464908e+03 0.40 2.767685126e+03 0.42 2.419464017e+03 0.44 2.123323316e+03 0.46 1.870152591e+03 0.48 1.652662349e+03 0.50 1.464976631e+03 0.52 1.302326170e+03 0.54 1.160815002e+03 0.56 1.037241322e+03 0.58 9.289588432e+02 0.60 8.337686658e+02 0.62 7.498343538e+02 0.64 6.756147797e+02 0.66 6.098106912e+02 0.68 5.513219596e+02 0.70 4.992131840e+02 0.72 4.526858685e+02 0.74 4.110558047e+02 0.76 3.737345972e+02 0.78 3.402145042e+02 0.80 3.100559432e+02 0.82 2.828771501e+02 0.84 2.583455858e+02 0.86 2.361707665e+02 0.88 2.160982591e+02 0.90 1.979046336e+02 0.92 1.813932041e+02 0.94 1.663904247e+02 0.96 1.527428274e+02 0.98 1.403144131e+02 1.00 1.289844290e+02 1.02 1.184230981e+02 1.04 1.083928769e+02 1.06 9.891425585e+01 1.08 8.999878549e+01 1.10 8.165006637e+01 1.12 7.386476254e+01 1.14 6.663360535e+01 1.16 5.994236451e+01 1.18 5.377276854e+01 1.20 4.810336117e+01 1.22 4.291028425e+01 1.24 3.816798153e+01 1.26 3.384982078e+01 1.28 2.992863412e+01 1.30 2.637717913e+01 1.32 2.316852435e+01 1.34 2.027636437e+01 1.36 1.767527050e+01 1.38 1.534088343e+01 1.40 1.325005444e+01 1.42 1.138094186e+01 1.44 9.713069183e+00 1.46 8.227350801e+00 1.48 6.906091080e+00 1.50 5.732961825e+00 1.52 4.692962746e+00 1.54 3.772368939e+00 1.56 2.958668911e+00 1.58 2.240496111e+00 1.60 1.607556516e+00 1.62 1.050554323e+00 1.64 5.611174461e-01 1.66 1.317241602e-01 1.68 -2.443680957e-01 1.70 -5.731909671e-01 1.72 -8.601299494e-01 1.74 -1.109985305e+00 1.76 -1.327028923e+00 1.78 -1.515057035e+00 1.80 -1.677438804e+00 1.82 -1.817160865e+00 1.84 -1.936867966e+00 1.86 -2.038899887e+00 1.88 -2.125324862e+00 1.90 -2.197969706e+00 1.92 -2.258446910e+00 1.94 -2.308178918e+00 1.96 -2.348419835e+00 1.98 -2.380274779e+00 2.00 -2.404717103e+00 2.02 -2.422603677e+00 2.04 -2.434688433e+00 2.06 -2.441634333e+00 2.08 -2.444023932e+00 2.10 -2.442368684e+00 2.12 -2.438575848e+00 2.14 -2.434243829e+00 2.16 -2.429316782e+00 2.18 -2.423692257e+00 2.20 -2.417248982e+00 2.22 -2.409867467e+00 2.24 -2.401444422e+00 2.26 -2.391901957e+00 2.28 -2.381192415e+00 2.30 -2.369299691e+00 2.32 -2.356237768e+00 2.34 -2.342047180e+00 2.36 -2.326790007e+00 2.38 -2.310543998e+00 2.40 -2.293396296e+00 2.42 -2.275437212e+00 2.44 -2.256754402e+00 2.46 -2.237427771e+00 2.48 -2.217525378e+00 2.50 -2.197100527e+00 2.52 -2.176190124e+00 2.54 -2.154814383e+00 2.56 -2.132977861e+00 2.58 -2.110671760e+00 2.60 -2.087877350e+00 2.62 -2.064570327e+00 2.64 -2.040725836e+00 2.66 -2.016323829e+00 2.68 -1.991354384e+00 2.70 -1.965822524e+00 2.72 -1.939752007e+00 2.74 -1.913187537e+00 2.76 -1.886194723e+00 2.78 -1.858857093e+00 2.80 -1.831269392e+00 2.82 -1.803526611e+00 2.84 -1.775713634e+00 2.86 -1.747903454e+00 2.88 -1.720158358e+00 2.90 -1.692531059e+00 2.92 -1.665065763e+00 2.94 -1.637799187e+00 2.96 -1.610761489e+00 2.98 -1.583977011e+00 3.00 -1.557465117e+00 3.02 -1.531240952e+00 3.04 -1.505315908e+00 3.06 -1.479698343e+00 3.08 -1.454394129e+00 3.10 -1.429406879e+00 3.12 -1.404738759e+00 3.14 -1.380390408e+00 3.16 -1.356361669e+00 3.18 -1.332651584e+00 3.20 -1.309258795e+00 3.22 -1.286181709e+00 3.24 -1.263418598e+00 3.26 -1.240967710e+00 3.28 -1.218827454e+00 3.30 -1.196996168e+00 3.32 -1.175472897e+00 3.34 -1.154256204e+00 3.36 -1.133345897e+00 3.38 -1.112741098e+00 3.40 -1.092441855e+00 3.42 -1.072448555e+00 3.44 -1.052760885e+00 3.46 -1.033380099e+00 3.48 -1.014306540e+00 3.50 -9.955404233e-01 3.52 -9.770834773e-01 3.54 -9.589358090e-01 3.56 -9.410972798e-01 3.58 -9.235693187e-01 3.60 -9.063521222e-01 3.62 -8.894437939e-01 3.64 -8.728443905e-01 3.66 -8.565545527e-01 3.68 -8.405706678e-01 3.70 -8.248895550e-01 3.72 -8.095097533e-01 3.74 -7.944302354e-01 3.76 -7.796439773e-01 3.78 -7.651441479e-01 3.80 -7.509268194e-01 3.82 -7.369885738e-01 3.84 -7.233247325e-01 3.86 -7.099193079e-01 3.88 -6.967637275e-01 3.90 -6.838522135e-01 3.92 -6.711793677e-01 3.94 -6.587400028e-01 3.96 -6.465164605e-01 3.98 -6.344807215e-01 4.00 -6.226288017e-01 4.02 -6.109572589e-01 4.04 -5.994625651e-01 4.06 -5.881410869e-01 4.08 -5.769890898e-01 4.10 -5.658562146e-01 4.12 -5.546118275e-01 4.14 -5.433790280e-01 4.16 -5.322608060e-01 4.18 -5.213407868e-01 4.20 -5.106858328e-01 4.22 -5.003483774e-01 4.24 -4.903685161e-01 4.26 -4.807758751e-01 4.28 -4.717086707e-01 4.30 -4.632482095e-01 4.32 -4.550839634e-01 4.34 -4.469537735e-01 4.36 -4.386496814e-01 4.38 -4.300108184e-01 4.40 -4.209171042e-01 4.42 -4.112836689e-01 4.44 -4.010559196e-01 4.46 -3.902051809e-01 4.48 -3.787248421e-01 4.50 -3.666269525e-01 4.52 -3.539391866e-01 4.54 -3.407018951e-01 4.56 -3.269006972e-01 4.58 -3.126310270e-01 4.60 -2.980912551e-01 4.62 -2.834508458e-01 4.64 -2.688532965e-01 4.66 -2.544187157e-01 4.68 -2.402460367e-01 4.70 -2.264148928e-01 4.72 -2.129871743e-01 4.74 -2.000082862e-01 4.76 -1.875081246e-01 4.78 -1.755017877e-01 4.80 -1.639900362e-01 4.82 -1.529603290e-01 4.84 -1.423956672e-01 4.86 -1.322828277e-01 4.88 -1.226122274e-01 4.90 -1.133770528e-01 4.92 -1.045724844e-01 4.94 -9.619501129e-02 4.96 -8.824183493e-02 4.98 -8.071035638e-02 5.00 -7.359774398e-02 5.02 -6.690057678e-02 5.04 -6.061455904e-02 5.06 -5.473430111e-02 5.08 -4.925316160e-02 5.10 -4.416314585e-02 5.12 -3.945485550e-02 5.14 -3.511748410e-02 5.16 -3.113885340e-02 5.18 -2.750548544e-02 5.20 -2.420270528e-02 5.22 -2.121476944e-02 5.24 -1.852501523e-02 5.26 -1.611602642e-02 5.28 -1.396981066e-02 5.30 -1.206798447e-02 5.32 -1.039196172e-02 5.34 -8.923141762e-03 5.36 -7.643093795e-03 5.38 -6.533734011e-03 5.40 -5.577492686e-03 5.42 -4.757468467e-03 5.44 -4.057567499e-03 5.46 -3.462625354e-03 5.48 -2.958510049e-03 5.50 -2.532204794e-03 5.52 -2.171869457e-03 5.54 -1.866880100e-03 5.56 -1.607846293e-03 5.58 -1.386606304e-03 5.60 -1.196200621e-03 5.62 -1.030824665e-03 5.64 -8.857619210e-04 5.66 -7.572991129e-04 5.68 -6.426254408e-04 5.70 -5.397182943e-04 5.72 -4.472182500e-04 5.74 -3.642965674e-04 5.76 -2.905187916e-04 5.78 -2.257084810e-04 5.80 -1.698154751e-04 5.82 -1.227935292e-04 5.84 -8.449254136e-05 5.86 -5.457100883e-05 5.88 -3.243475295e-05 5.90 -1.720836142e-05 5.92 -7.746201865e-06 5.94 -2.690268303e-06 5.96 -5.825294311e-07 5.98 -3.985449162e-08 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 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