# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Liu-Z-Li-B-Guo-Y-et-al--Mo-Re # implementation = 2025--Liu-Z--Mo-Re--LAMMPS--ipr1 # composition = Re # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2025-12-17 r A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan 1.080251883e+04 nan 0.68 nan nan nan nan nan nan nan nan 9.249205881e+03 nan 0.70 nan nan nan nan nan nan nan nan 7.942479205e+03 nan 0.72 nan nan nan nan nan 6.391659876e+03 nan nan 6.839099530e+03 nan 0.74 nan nan nan nan nan 5.533316284e+03 nan nan 5.904237666e+03 nan 0.76 nan nan nan nan nan 4.802567336e+03 nan nan 5.109701080e+03 nan 0.78 nan nan nan nan nan 4.178339558e+03 nan nan 4.432559242e+03 nan 0.80 nan nan nan 1.030849766e+04 1.030888355e+04 3.643343867e+03 nan nan 3.853905330e+03 6.096247761e+03 0.82 nan 4.869424848e+03 nan 9.033442658e+03 9.033599969e+03 3.183374989e+03 5.258375538e+03 nan 3.358271685e+03 5.326439343e+03 0.84 nan 4.254313756e+03 nan 7.932671116e+03 7.932567246e+03 2.786934529e+03 4.600491821e+03 nan 2.932573262e+03 4.662967105e+03 0.86 nan 3.723668812e+03 nan 6.979780940e+03 6.979556423e+03 2.444468348e+03 4.032415406e+03 nan 2.565936610e+03 4.090051942e+03 0.88 nan 3.264802671e+03 nan 6.152761538e+03 6.152582189e+03 2.148070997e+03 3.540869557e+03 nan 2.249331088e+03 3.594269430e+03 0.90 nan 2.867356918e+03 nan 5.433279915e+03 5.433271777e+03 1.890900029e+03 3.114591356e+03 nan 1.975336194e+03 3.164446608e+03 0.92 4.805849127e+03 2.522335418e+03 4.108873819e+03 4.806066475e+03 4.806297667e+03 1.667241129e+03 2.744154819e+03 4.306257460e+03 1.737722419e+03 2.791017847e+03 0.94 4.257737125e+03 2.222176281e+03 3.635780569e+03 4.258239961e+03 4.258710107e+03 1.472354655e+03 2.421658264e+03 3.811746640e+03 1.531155251e+03 2.465944344e+03 0.96 3.778050377e+03 1.960629099e+03 3.221890741e+03 3.778726294e+03 3.779350500e+03 1.302355480e+03 2.140542786e+03 3.379338247e+03 1.351097855e+03 2.182335363e+03 0.98 3.357582469e+03 1.732291029e+03 2.859033925e+03 3.358262903e+03 3.358897755e+03 1.153754531e+03 1.895014838e+03 3.000627839e+03 1.193736968e+03 1.934526701e+03 1.00 2.988425669e+03 1.532494561e+03 2.540393413e+03 2.988945942e+03 2.989448325e+03 1.023607553e+03 1.680303104e+03 2.668062591e+03 1.055962683e+03 1.717607575e+03 1.02 2.663544616e+03 1.357300148e+03 2.260133334e+03 2.663854259e+03 2.664181293e+03 9.093815554e+02 1.492251472e+03 2.375351230e+03 9.351020671e+02 1.527089075e+03 1.04 2.376635113e+03 1.203423962e+03 2.012968018e+03 2.376737681e+03 2.376886556e+03 8.087592024e+02 1.326962242e+03 2.117124515e+03 8.287812811e+02 1.359069116e+03 1.06 2.122897817e+03 1.068088359e+03 1.794742915e+03 2.122820198e+03 2.122797827e+03 7.199705634e+02 1.181403466e+03 1.889010120e+03 7.351333194e+02 1.210575879e+03 1.08 1.898211084e+03 9.488680223e+02 1.602002711e+03 1.898011901e+03 1.897854141e+03 6.415764436e+02 1.052831840e+03 1.687256255e+03 6.525945073e+02 1.079147159e+03 1.10 1.699052679e+03 8.437642576e+02 1.431673454e+03 1.698783957e+03 1.698525286e+03 5.722967808e+02 9.390060923e+02 1.508549665e+03 5.798012300e+02 9.627251091e+02 1.12 1.522245751e+03 7.510147735e+02 1.280909353e+03 1.521969945e+03 1.521658866e+03 5.109876738e+02 8.380336894e+02 1.350026516e+03 5.155461199e+02 8.594593189e+02 1.14 1.365070505e+03 6.690687649e+02 1.147312823e+03 1.364834781e+03 1.364537021e+03 4.566962378e+02 7.483589789e+02 1.209252771e+03 4.588167016e+02 7.677654850e+02 1.16 1.225166860e+03 5.965576360e+02 1.028857191e+03 1.225022942e+03 1.224823272e+03 4.086189430e+02 6.686048190e+02 1.084127682e+03 4.086876841e+02 6.862771572e+02 1.18 1.100517842e+03 5.324039606e+02 9.235055572e+02 1.100467787e+03 1.100390045e+03 3.658780181e+02 5.975900619e+02 9.728493305e+02 3.643440617e+02 6.138060896e+02 1.20 9.894424274e+02 4.754922786e+02 8.296157837e+02 9.894680842e+02 9.894986021e+02 3.277917653e+02 5.343087049e+02 8.737815511e+02 3.250640367e+02 5.493476036e+02 1.22 8.903650212e+02 4.249598202e+02 7.457659223e+02 8.904321983e+02 8.905356882e+02 2.937805480e+02 4.778806665e+02 7.855075799e+02 2.902369216e+02 4.919875157e+02 1.24 8.018754754e+02 3.799604089e+02 6.707819704e+02 8.019579845e+02 8.021030987e+02 2.633699651e+02 4.275435476e+02 7.066996584e+02 2.593030782e+02 4.409214182e+02 1.26 7.227696495e+02 3.397942528e+02 6.036709273e+02 7.228662525e+02 7.230294887e+02 2.361904347e+02 3.826473691e+02 6.363424703e+02 2.317922140e+02 3.954619332e+02 1.28 6.520305247e+02 3.039060903e+02 5.435301372e+02 6.521500784e+02 6.523080704e+02 2.118912369e+02 3.426030448e+02 5.733186726e+02 2.073009605e+02 3.550024817e+02 1.30 5.885632147e+02 2.717980534e+02 4.895392366e+02 5.887160348e+02 5.888671632e+02 1.901378657e+02 3.068746572e+02 5.167604042e+02 1.854545427e+02 3.189122329e+02 1.32 5.315152202e+02 2.430535156e+02 4.409868389e+02 5.317009778e+02 5.318502006e+02 1.706298761e+02 2.749826496e+02 4.659164497e+02 1.659337647e+02 2.866713251e+02 1.34 4.801292072e+02 2.173026928e+02 3.973201417e+02 4.803448891e+02 4.805036174e+02 1.531778106e+02 2.465389718e+02 4.201481986e+02 1.484840958e+02 2.578165981e+02 1.36 4.337957227e+02 1.942188205e+02 3.580444282e+02 4.340275502e+02 4.342000209e+02 1.375757358e+02 2.211533984e+02 3.789296258e+02 1.328858258e+02 2.319546176e+02 1.38 3.919971772e+02 1.735183567e+02 3.226587024e+02 3.922214922e+02 3.923987210e+02 1.235539870e+02 1.984772825e+02 3.417951553e+02 1.189001145e+02 2.087411964e+02 1.40 3.542725041e+02 1.549513940e+02 2.907550373e+02 3.544635540e+02 3.546295897e+02 1.109270056e+02 1.782227629e+02 3.083178231e+02 1.063361819e+02 1.878803863e+02 1.42 3.202045198e+02 1.382931153e+02 2.619684127e+02 3.203404853e+02 3.204768560e+02 9.952958959e+01 1.601267756e+02 2.781138394e+02 9.502243938e+01 1.691101352e+02 1.44 2.894169849e+02 1.233430607e+02 2.359975044e+02 2.894869870e+02 2.895800832e+02 8.924022111e+01 1.439387910e+02 2.508463091e+02 8.481680186e+01 1.522034690e+02 1.46 2.615870420e+02 1.099239901e+02 2.125837301e+02 2.615920192e+02 2.616350954e+02 7.996015754e+01 1.294324158e+02 2.262408694e+02 7.562679173e+01 1.369832111e+02 1.48 2.364128980e+02 9.788094449e+01 1.914821069e+02 2.363615054e+02 2.363538118e+02 7.159348514e+01 1.164029982e+02 2.040315487e+02 6.738358367e+01 1.232571307e+02 1.50 2.136249844e+02 8.708025597e+01 1.724583010e+02 2.135313348e+02 2.134774432e+02 6.404667806e+01 1.047347719e+02 1.839742584e+02 5.994635136e+01 1.108503620e+02 1.52 1.929944009e+02 7.739942764e+01 1.552993468e+02 1.928732658e+02 1.927800536e+02 5.723377139e+01 9.422419471e+01 1.658602309e+02 5.322895424e+01 9.961734584e+01 1.54 1.743340885e+02 6.872249720e+01 1.398169977e+02 1.741964920e+02 1.740714041e+02 5.107847871e+01 8.470651367e+01 1.495089277e+02 4.715406990e+01 8.945854764e+01 1.56 1.575008826e+02 6.094405380e+01 1.258495378e+02 1.573540915e+02 1.572052332e+02 4.551623959e+01 7.605810109e+01 1.347756859e+02 4.165479832e+01 8.034936103e+01 1.58 1.422792286e+02 5.396709992e+01 1.132527571e+02 1.421298592e+02 1.419671378e+02 4.048997062e+01 6.817137685e+01 1.214742561e+02 3.667908248e+01 7.209467513e+01 1.60 1.285121562e+02 4.770362704e+01 1.018922495e+02 1.283656533e+02 1.281995447e+02 3.594828526e+01 6.096200514e+01 1.094604690e+02 3.217952770e+01 6.460377297e+01 1.62 1.160546189e+02 4.207433376e+01 9.164274652e+01 1.159174243e+02 1.157580077e+02 3.184510006e+01 5.436958528e+01 9.859732357e+01 2.811294127e+01 5.779173344e+01 1.64 1.047678206e+02 3.700848833e+01 8.239028534e+01 1.046467264e+02 1.045036726e+02 2.814064279e+01 4.835143943e+01 8.875983019e+01 2.444007990e+01 5.158205346e+01 1.66 9.453086209e+01 3.244537578e+01 7.403045134e+01 9.443158157e+01 9.431379772e+01 2.479989538e+01 4.286204543e+01 7.984035042e+01 2.112996450e+01 4.592235698e+01 1.68 8.523777401e+01 2.834165605e+01 6.646955582e+01 8.516481889e+01 8.508004835e+01 2.179129276e+01 3.785618907e+01 7.174478370e+01 1.815466911e+01 4.076974385e+01 1.70 7.679347401e+01 2.464880451e+01 5.962336964e+01 7.675057960e+01 7.670441521e+01 1.908498790e+01 3.329283611e+01 6.439074736e+01 1.548231926e+01 3.608142213e+01 1.72 6.911084345e+01 2.132379229e+01 5.341358453e+01 6.910212480e+01 6.909770165e+01 1.665230576e+01 2.913383479e+01 5.770578329e+01 1.308353887e+01 3.181734948e+01 1.74 6.211294452e+01 1.832870356e+01 4.776519448e+01 6.214066202e+01 6.217693277e+01 1.446340607e+01 2.534919423e+01 5.162717257e+01 1.093175012e+01 2.794100202e+01 1.76 5.573737017e+01 1.562762961e+01 4.261737257e+01 5.579964931e+01 5.587156393e+01 1.249269563e+01 2.194476322e+01 4.609859315e+01 9.002357480e+00 2.441901811e+01 1.78 4.992914197e+01 1.320819379e+01 3.793144736e+01 5.002091365e+01 5.012131815e+01 1.071958172e+01 1.885497100e+01 4.106894149e+01 7.300668029e+00 2.122100351e+01 1.80 4.463887585e+01 1.106640867e+01 3.366228125e+01 4.475310073e+01 4.487395454e+01 9.123352072e+00 1.605195539e+01 3.649202222e+01 5.792787713e+00 1.832003951e+01 1.82 3.982197097e+01 9.136443464e+00 2.976732265e+01 3.995015610e+01 4.008294058e+01 7.684219557e+00 1.351035814e+01 3.232554967e+01 4.448674793e+00 1.569186055e+01 1.84 3.543543226e+01 7.402933405e+00 2.621027419e+01 3.556907913e+01 3.570548728e+01 6.385478817e+00 1.120801690e+01 2.852886466e+01 3.250473741e+00 1.331173705e+01 1.86 3.143686264e+01 5.839368075e+00 2.295963668e+01 3.156872619e+01 3.170148279e+01 5.212794898e+00 9.126136075e+00 2.506400049e+01 2.181096867e+00 1.115375476e+01 1.88 2.778718018e+01 4.421077459e+00 1.998656257e+01 2.791097068e+01 2.803391602e+01 4.153134297e+00 7.249867846e+00 2.189794013e+01 1.224528543e+00 9.194910372e+00 1.90 2.445132509e+01 3.127207533e+00 1.732368086e+01 2.456131277e+01 2.466939601e+01 3.194633298e+00 5.564719400e+00 1.899975520e+01 3.676938749e-01 7.416853452e+00 1.92 2.139573068e+01 1.943000012e+00 1.489602517e+01 2.148733338e+01 2.157679864e+01 2.326493496e+00 4.058091420e+00 1.634251707e+01 -4.001546611e-01 5.803201213e+00 1.94 1.859138589e+01 8.552092410e-01 1.267759113e+01 1.866182187e+01 1.873044720e+01 1.538887659e+00 2.717673231e+00 1.390549002e+01 -1.088549002e+00 4.340112991e+00 1.96 1.601742237e+01 -8.928902708e-02 1.064693827e+01 1.606534414e+01 1.611206594e+01 8.228718423e-01 1.527377649e+00 1.167108437e+01 -1.706395259e+00 3.016907244e+00 1.98 1.365536052e+01 -9.448034637e-01 8.783096194e+00 1.368048820e+01 1.370504211e+01 1.701028054e-01 4.702709290e-01 9.634654448e+00 -2.261632707e+00 1.823852640e+00 2.00 1.148730043e+01 -1.730530572e+00 7.066912496e+00 1.149030780e+01 1.149314038e+01 -4.269813140e-01 -4.697581729e-01 7.787072887e+00 -2.761525245e+00 7.498011936e-01 2.02 9.496380905e+00 -2.455054045e+00 5.484215973e+00 9.478644168e+00 9.460883712e+00 -9.754076762e-01 -1.307212836e+00 6.111019996e+00 -3.212859685e+00 -2.166316483e-01 2.04 7.682231821e+00 -3.124255435e+00 4.034396496e+00 7.645700638e+00 7.609169450e+00 -1.476815748e+00 -2.050011771e+00 4.595002648e+00 -3.618089980e+00 -1.078412364e+00 2.06 6.040455124e+00 -3.744478990e+00 2.715306108e+00 5.987819425e+00 5.935183725e+00 -1.932134130e+00 -2.691680997e+00 3.227380516e+00 -3.979501977e+00 -1.839874662e+00 2.08 4.556323994e+00 -4.319967747e+00 1.518677112e+00 4.490910852e+00 4.425497709e+00 -2.344090686e+00 -3.246519771e+00 1.993805043e+00 -4.300671623e+00 -2.510191240e+00 2.10 3.215775428e+00 -4.850903789e+00 4.366044601e-01 3.141515219e+00 3.067255009e+00 -2.715208674e+00 -3.733557418e+00 8.805626682e-01 -4.584552202e+00 -3.098254288e+00 2.12 2.005308738e+00 -5.337195294e+00 -5.385626011e-01 1.926660631e+00 1.848012524e+00 -3.047907360e+00 -4.161703035e+00 -7.377532657e-02 -4.834285391e+00 -3.612571792e+00 2.14 9.119595898e-01 -5.778785222e+00 -1.415412843e+00 8.333806550e-01 7.548017201e-01 -3.345096286e+00 -4.539333518e+00 -8.992155166e-01 -5.053175120e+00 -4.061284751e+00 2.16 -7.672466174e-02 -6.175782608e+00 -2.204699764e+00 -1.514500125e-01 -2.261753633e-01 -3.610787051e+00 -4.874525926e+00 -1.636823251e+00 -5.244540553e+00 -4.452183734e+00 2.18 -9.261529834e-01 -6.521367251e+00 -2.884405181e+00 -9.939692606e-01 -1.061785538e+00 -3.824614908e+00 -5.155627292e+00 -2.283196680e+00 -5.394768513e+00 -4.764012458e+00 2.20 -1.616852372e+00 -6.812138292e+00 -3.442389795e+00 -1.675401473e+00 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