# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2016--Nichol-A-Ackland-G-J--Cs # implementation = 2016--Nichol-A--Cs--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 Cs Cs 0.02 2.075418027e+06 0.04 7.779494854e+05 0.06 4.206211347e+05 0.08 2.638103295e+05 0.10 1.795585225e+05 0.12 1.287513504e+05 0.14 9.573596336e+04 0.16 7.313414087e+04 0.18 5.705626140e+04 0.20 4.527741574e+04 0.22 3.644362213e+04 0.24 2.969017181e+04 0.26 2.444321414e+04 0.28 2.030988977e+04 0.30 1.701425927e+04 0.32 1.435829323e+04 0.34 1.219724652e+04 0.36 1.042363013e+04 0.38 8.956503370e+03 0.40 7.734113090e+03 0.42 6.708833826e+03 0.44 5.843646038e+03 0.46 5.109456021e+03 0.48 4.483201314e+03 0.50 3.946454137e+03 0.52 3.484380104e+03 0.54 3.084954017e+03 0.56 2.738363834e+03 0.58 2.436553782e+03 0.60 2.172871353e+03 0.62 1.941792521e+03 0.64 1.738706366e+03 0.66 1.559745121e+03 0.68 1.401649231e+03 0.70 1.261659568e+03 0.72 1.137430837e+03 0.74 1.026961627e+03 0.76 9.285376131e+02 0.78 8.406863194e+02 0.80 7.621388393e+02 0.82 6.917946628e+02 0.84 6.286988901e+02 0.86 5.720207414e+02 0.88 5.210355105e+02 0.90 4.751094439e+02 0.92 4.336870211e+02 0.94 3.962802143e+02 0.96 3.624593885e+02 0.98 3.318455641e+02 1.00 3.041038219e+02 1.02 2.788163813e+02 1.04 2.556453082e+02 1.06 2.344160338e+02 1.08 2.149678830e+02 1.10 1.971530349e+02 1.12 1.808355561e+02 1.14 1.658905003e+02 1.16 1.522029354e+02 1.18 1.396671370e+02 1.20 1.281866073e+02 1.22 1.176727555e+02 1.24 1.080442419e+02 1.26 9.922641703e+01 1.28 9.115079993e+01 1.30 8.375459237e+01 1.32 7.698022798e+01 1.34 7.077495399e+01 1.36 6.509044368e+01 1.38 5.988243774e+01 1.40 5.511041260e+01 1.42 5.073727417e+01 1.44 4.672907509e+01 1.46 4.305475406e+01 1.48 3.968589565e+01 1.50 3.659650913e+01 1.52 3.376282500e+01 1.54 3.116311553e+01 1.56 2.877751298e+01 1.58 2.658777696e+01 1.60 2.457724284e+01 1.62 2.273069388e+01 1.64 2.103423415e+01 1.66 1.947517257e+01 1.68 1.804191724e+01 1.70 1.672387908e+01 1.72 1.551138391e+01 1.74 1.439559232e+01 1.76 1.336842660e+01 1.78 1.242250406e+01 1.80 1.155107627e+01 1.82 1.074797366e+01 1.84 1.000755495e+01 1.86 9.324661075e+00 1.88 8.694573151e+00 1.90 8.112974149e+00 1.92 7.575915216e+00 1.94 7.079797726e+00 1.96 6.621325667e+00 1.98 6.197476540e+00 2.00 5.805480158e+00 2.02 5.442797265e+00 2.04 5.107099973e+00 2.06 4.796253857e+00 2.08 4.508301569e+00 2.10 4.241447848e+00 2.12 3.994045813e+00 2.14 3.764584417e+00 2.16 3.551676987e+00 2.18 3.354050733e+00 2.20 3.170537161e+00 2.22 3.000063312e+00 2.24 2.841643743e+00 2.26 2.694373206e+00 2.28 2.557419950e+00 2.30 2.430019380e+00 2.32 2.311464477e+00 2.34 2.201106956e+00 2.36 2.098352272e+00 2.38 2.002653804e+00 2.40 1.913508900e+00 2.42 1.830455270e+00 2.44 1.753067691e+00 2.46 1.680954999e+00 2.48 1.595402869e+00 2.50 1.502007552e+00 2.52 1.412604451e+00 2.54 1.327159925e+00 2.56 1.245642009e+00 2.58 1.168019669e+00 2.60 1.094262178e+00 2.62 1.024338602e+00 2.64 9.582173879e-01 2.66 8.958660426e-01 2.68 8.372509066e-01 2.70 7.823378968e-01 2.72 7.310909726e-01 2.74 6.834720348e-01 2.76 6.394415235e-01 2.78 5.989584793e-01 2.80 5.619806083e-01 2.82 5.276372545e-01 2.84 4.949018825e-01 2.86 4.636352385e-01 2.88 4.337199378e-01 2.90 4.050468871e-01 2.92 3.775148663e-01 2.94 3.510301244e-01 2.96 3.255059899e-01 2.98 3.008624954e-01 3.00 2.770260156e-01 3.02 2.539289189e-01 3.04 2.315092320e-01 3.06 2.097103167e-01 3.08 1.884799373e-01 3.10 1.677710405e-01 3.12 1.475417158e-01 3.14 1.277541657e-01 3.16 1.083744453e-01 3.18 8.937221246e-02 3.20 7.072048786e-02 3.22 5.239542595e-02 3.24 3.437609538e-02 3.26 1.664426923e-02 3.28 -8.157754230e-04 3.30 -1.801744889e-02 3.32 -3.496980795e-02 3.34 -5.163594623e-02 3.36 -6.799933161e-02 3.38 -8.405994326e-02 3.40 -9.981806413e-02 3.42 -1.152742587e-01 3.44 -1.304293518e-01 3.46 -1.452842707e-01 3.48 -1.598405204e-01 3.50 -1.741002232e-01 3.52 -1.880656195e-01 3.54 -2.017390529e-01 3.56 -2.151229595e-01 3.58 -2.282198566e-01 3.60 -2.410323338e-01 3.62 -2.535630428e-01 3.64 -2.658146893e-01 3.66 -2.777900247e-01 3.68 -2.894918389e-01 3.70 -3.009229529e-01 3.72 -3.120862125e-01 3.74 -3.229844826e-01 3.76 -3.336206415e-01 3.78 -3.439975761e-01 3.80 -3.541181770e-01 3.82 -3.639853349e-01 3.84 -3.736018082e-01 3.86 -3.829700123e-01 3.88 -3.920924889e-01 3.90 -4.009718149e-01 3.92 -4.096105894e-01 3.94 -4.180114298e-01 3.96 -4.261769676e-01 3.98 -4.341098444e-01 4.00 -4.418127085e-01 4.02 -4.492882125e-01 4.04 -4.565390098e-01 4.06 -4.635677531e-01 4.08 -4.703770919e-01 4.10 -4.769696709e-01 4.12 -4.833481287e-01 4.14 -4.895150965e-01 4.16 -4.954731974e-01 4.18 -5.012250455e-01 4.20 -5.067732454e-01 4.22 -5.121204557e-01 4.24 -5.172695031e-01 4.26 -5.222230417e-01 4.28 -5.269836922e-01 4.30 -5.315540573e-01 4.32 -5.359367236e-01 4.34 -5.401342629e-01 4.36 -5.441492332e-01 4.38 -5.479841807e-01 4.40 -5.516416412e-01 4.42 -5.551241416e-01 4.44 -5.584342014e-01 4.46 -5.615743350e-01 4.48 -5.645470529e-01 4.50 -5.673548634e-01 4.52 -5.700002746e-01 4.54 -5.724857960e-01 4.56 -5.748139405e-01 4.58 -5.769872255e-01 4.60 -5.790081607e-01 4.62 -5.808792075e-01 4.64 -5.826029059e-01 4.66 -5.841818178e-01 4.68 -5.856185179e-01 4.70 -5.869155945e-01 4.72 -5.880756521e-01 4.74 -5.891013120e-01 4.76 -5.899952138e-01 4.78 -5.907600170e-01 4.80 -5.913984023e-01 4.82 -5.919130722e-01 4.84 -5.923067528e-01 4.86 -5.925821944e-01 4.88 -5.927421724e-01 4.90 -5.927894885e-01 4.92 -5.927269714e-01 4.94 -5.925574771e-01 4.96 -5.922838901e-01 4.98 -5.919091304e-01 5.00 -5.914361881e-01 5.02 -5.908680154e-01 5.04 -5.902075819e-01 5.06 -5.894578905e-01 5.08 -5.886219768e-01 5.10 -5.877029092e-01 5.12 -5.867037883e-01 5.14 -5.856277468e-01 5.16 -5.844779485e-01 5.18 -5.832575881e-01 5.20 -5.819698902e-01 5.22 -5.806181089e-01 5.24 -5.792055269e-01 5.26 -5.777354544e-01 5.28 -5.762124538e-01 5.30 -5.746582808e-01 5.32 -5.730796189e-01 5.34 -5.714757698e-01 5.36 -5.698453616e-01 5.38 -5.681866890e-01 5.40 -5.664978497e-01 5.42 -5.647767192e-01 5.44 -5.630209485e-01 5.46 -5.612279733e-01 5.48 -5.593950243e-01 5.50 -5.575191377e-01 5.52 -5.555971664e-01 5.54 -5.536257915e-01 5.56 -5.516015346e-01 5.58 -5.495207700e-01 5.60 -5.473797382e-01 5.62 -5.451745588e-01 5.64 -5.429012445e-01 5.66 -5.405557153e-01 5.68 -5.381338128e-01 5.70 -5.356313153e-01 5.72 -5.330439521e-01 5.74 -5.303674195e-01 5.76 -5.275973763e-01 5.78 -5.247294717e-01 5.80 -5.217593768e-01 5.82 -5.186827953e-01 5.84 -5.154954719e-01 5.86 -5.121926165e-01 5.88 -5.087685106e-01 5.90 -5.052174362e-01 5.92 -5.015337895e-01 5.94 -4.977120970e-01 5.96 -4.937470315e-01 5.98 -4.896334286e-01 6.00 -4.853663026e-01 6.02 -4.809408620e-01 6.04 -4.763525257e-01 6.06 -4.715969379e-01 6.08 -4.666699838e-01 6.10 -4.615678039e-01 6.12 -4.562868091e-01 6.14 -4.508237041e-01 6.16 -4.451754917e-01 6.18 -4.393394795e-01 6.20 -4.333132988e-01 6.22 -4.270788994e-01 6.24 -4.206245745e-01 6.26 -4.139626877e-01 6.28 -4.071056716e-01 6.30 -4.000659686e-01 6.32 -3.928560090e-01 6.34 -3.854881898e-01 6.36 -3.779748532e-01 6.38 -3.703282664e-01 6.40 -3.625606018e-01 6.42 -3.546839176e-01 6.44 -3.467101394e-01 6.46 -3.386510419e-01 6.48 -3.305182321e-01 6.50 -3.223231326e-01 6.52 -3.140769749e-01 6.54 -3.057909825e-01 6.56 -2.974763437e-01 6.58 -2.891440113e-01 6.60 -2.808046832e-01 6.62 -2.724687909e-01 6.64 -2.641464885e-01 6.66 -2.558476433e-01 6.68 -2.475818269e-01 6.70 -2.393583073e-01 6.72 -2.311860422e-01 6.74 -2.230736730e-01 6.76 -2.150295199e-01 6.78 -2.070615779e-01 6.80 -1.991775140e-01 6.82 -1.913846654e-01 6.84 -1.836900383e-01 6.86 -1.761003081e-01 6.88 -1.686218205e-01 6.90 -1.612605931e-01 6.92 -1.540223183e-01 6.94 -1.469123702e-01 6.96 -1.399358076e-01 6.98 -1.330973799e-01 7.00 -1.264015344e-01 7.02 -1.198524234e-01 7.04 -1.134539131e-01 7.06 -1.072095937e-01 7.08 -1.011229962e-01 7.10 -9.519854502e-02 7.12 -8.944081657e-02 7.14 -8.385415745e-02 7.16 -7.844269776e-02 7.18 -7.321036527e-02 7.20 -6.816090026e-02 7.22 -6.329787098e-02 7.24 -5.862468969e-02 7.26 -5.414462910e-02 7.28 -4.986083962e-02 7.30 -4.577636602e-02 7.32 -4.189416414e-02 7.34 -3.821712052e-02 7.36 -3.474807062e-02 7.38 -3.148957216e-02 7.40 -2.843948432e-02 7.42 -2.559151315e-02 7.44 -2.293932652e-02 7.46 -2.047670850e-02 7.48 -1.819756006e-02 7.50 -1.609587677e-02 7.52 -1.416492649e-02 7.54 -1.239699138e-02 7.56 -1.078438615e-02 7.58 -9.319526608e-03 7.60 -7.994923940e-03 7.62 -6.803178674e-03 7.64 -5.736974217e-03 7.66 -4.789070256e-03 7.68 -3.952296122e-03 7.70 -3.219543785e-03 7.72 -2.583761257e-03 7.74 -2.037946150e-03 7.76 -1.575139454e-03 7.78 -1.188419582e-03 7.80 -8.708967627e-04 7.82 -6.157078022e-04 7.84 -4.160112583e-04 7.86 -2.649830582e-04 7.88 -1.558125794e-04 7.90 -8.169921482e-05 7.92 -3.584943555e-05 7.94 -1.147436115e-05 7.96 -1.787845069e-06 7.98 -5.079296802e-09 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 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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