# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Chen-Y-Li-Y-H-Gao-N-et-al--W-Re # implementation = 2018--Chen-Y--W-Re--LAMMPS--ipr1 # composition = ReW3 # 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 2022-12-14 r A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 4.265585558e+03 nan nan 0.88 3.831375754e+03 nan nan 0.90 3.446549071e+03 nan nan 0.92 3.103922679e+03 nan nan 0.94 2.798281388e+03 nan nan 0.96 2.525255154e+03 3.813379497e+03 nan 0.98 2.280646463e+03 3.460664608e+03 3.947953686e+03 1.00 2.060950173e+03 3.145245772e+03 3.596661808e+03 1.02 1.861682552e+03 2.858091357e+03 3.274761446e+03 1.04 1.681710669e+03 2.598474619e+03 2.982967266e+03 1.06 1.518974218e+03 2.363396786e+03 2.718020640e+03 1.08 1.372013510e+03 2.150389361e+03 2.476928846e+03 1.10 1.239526056e+03 1.957387024e+03 2.257383752e+03 1.12 1.120175992e+03 1.782419349e+03 2.057793441e+03 1.14 1.012648573e+03 1.623641905e+03 1.876620333e+03 1.16 9.157095919e+02 1.479408394e+03 1.712010124e+03 1.18 8.282527859e+02 1.348212045e+03 1.562258928e+03 1.20 7.492083710e+02 1.228677115e+03 1.425862217e+03 1.22 6.776791297e+02 1.119593252e+03 1.301612694e+03 1.24 6.129145977e+02 1.020146186e+03 1.188538424e+03 1.26 5.542524489e+02 9.293268928e+02 1.085748053e+03 1.28 5.010288694e+02 8.463934997e+02 9.922972498e+02 1.30 4.526064051e+02 7.709076420e+02 9.071985402e+02 1.32 4.085621983e+02 7.024559179e+02 8.295593979e+02 1.34 3.686042977e+02 6.403858193e+02 7.585892416e+02 1.36 3.324744387e+02 5.839362552e+02 6.935494780e+02 1.38 2.998415728e+02 5.324433263e+02 6.337703357e+02 1.40 2.703765416e+02 4.854035827e+02 5.786889925e+02 1.42 2.437507231e+02 4.423638806e+02 5.280636879e+02 1.44 2.196556616e+02 4.029148653e+02 4.818065132e+02 1.46 1.978081664e+02 3.666941768e+02 4.397249785e+02 1.48 1.779750845e+02 3.333757135e+02 4.014545730e+02 1.50 1.599555759e+02 3.027368245e+02 3.665534925e+02 1.52 1.435725492e+02 2.746441761e+02 3.346197486e+02 1.54 1.286715439e+02 2.489851229e+02 3.053632117e+02 1.56 1.151220538e+02 2.256025185e+02 2.785478711e+02 1.58 1.028162959e+02 2.042836846e+02 2.539595585e+02 1.60 9.163926476e+01 1.848326107e+02 2.314079732e+02 1.62 8.148896452e+01 1.670855154e+02 2.107062992e+02 1.64 7.228946898e+01 1.509081725e+02 1.916749805e+02 1.66 6.396943341e+01 1.361790217e+02 1.741605406e+02 1.68 5.643845951e+01 1.227822629e+02 1.580257640e+02 1.70 4.964605368e+01 1.106066937e+02 1.431446126e+02 1.72 4.353599855e+01 9.954649613e+01 1.294114636e+02 1.74 3.805412025e+01 8.951557543e+01 1.167627746e+02 1.76 3.314679992e+01 8.041905144e+01 1.051632167e+02 1.78 2.876458311e+01 7.215749457e+01 9.456804867e+01 1.80 2.485886288e+01 6.465295063e+01 8.491273922e+01 1.82 2.138095885e+01 5.784181829e+01 7.612049098e+01 1.84 1.828894814e+01 5.166930612e+01 6.812095822e+01 1.86 1.554432061e+01 4.607475738e+01 6.085102944e+01 1.88 1.310793567e+01 4.100284132e+01 5.426005949e+01 1.90 1.094102237e+01 3.640295754e+01 4.829571115e+01 1.92 9.005489195e+00 3.223088755e+01 4.289916949e+01 1.94 7.264185634e+00 2.844673111e+01 3.801660598e+01 1.96 5.682011526e+00 2.501377677e+01 3.359918444e+01 1.98 4.231447513e+00 2.189766150e+01 2.960173039e+01 2.00 2.909287651e+00 1.906358964e+01 2.598595243e+01 2.02 1.727328630e+00 1.649891245e+01 2.274821528e+01 2.04 6.821262288e-01 1.414999512e+01 1.982286480e+01 2.06 -2.241661109e-01 1.199103333e+01 1.718569674e+01 2.08 -1.014543600e+00 9.996974344e+00 1.481315367e+01 2.10 -1.719021145e+00 8.150290683e+00 1.268256030e+01 2.12 -2.366981353e+00 6.455363166e+00 1.077346537e+01 2.14 -2.985773642e+00 4.920369100e+00 9.065598562e+00 2.16 -3.592473576e+00 3.553550915e+00 7.539636691e+00 2.18 -4.182653675e+00 2.360911665e+00 6.177540456e+00 2.20 -4.742041818e+00 1.329572027e+00 4.961825057e+00 2.22 -5.255897662e+00 4.365472901e-01 3.875565526e+00 2.24 -5.708563449e+00 -3.423272292e-01 2.902538215e+00 2.26 -6.092746443e+00 -1.030802775e+00 2.026716872e+00 2.28 -6.418432335e+00 -1.648209222e+00 1.232134077e+00 2.30 -6.697768589e+00 -2.208680811e+00 5.021527669e-01 2.32 -6.942229481e+00 -2.725779208e+00 -1.800134458e-01 2.34 -7.162053066e+00 -3.212824342e+00 -8.305826361e-01 2.36 -7.362248946e+00 -3.682511272e+00 -1.465233404e+00 2.38 -7.545630593e+00 -4.146903677e+00 -2.099281558e+00 2.40 -7.715060270e+00 -4.617819740e+00 -2.747646868e+00 2.42 -7.872558821e+00 -5.101950118e+00 -3.417342887e+00 2.44 -8.016665902e+00 -5.587656798e+00 -4.087901589e+00 2.46 -8.144956813e+00 -6.058439092e+00 -4.734011636e+00 2.48 -8.254811426e+00 -6.496964569e+00 -5.330774907e+00 2.50 -8.343759020e+00 -6.885384830e+00 -5.852932000e+00 2.52 -8.410370998e+00 -7.210784160e+00 -6.282603063e+00 2.54 -8.456170341e+00 -7.478440911e+00 -6.629052993e+00 2.56 -8.483014272e+00 -7.697698181e+00 -6.907541173e+00 2.58 -8.492536686e+00 -7.877850701e+00 -7.133142375e+00 2.60 -8.486314626e+00 -8.028460596e+00 -7.320793036e+00 2.62 -8.465629726e+00 -8.157748505e+00 -7.483071441e+00 2.64 -8.431137741e+00 -8.268159651e+00 -7.624383783e+00 2.66 -8.383882535e+00 -8.360687628e+00 -7.747143022e+00 2.68 -8.325023615e+00 -8.436215760e+00 -7.853589870e+00 2.70 -8.255695841e+00 -8.495549726e+00 -7.945758469e+00 2.72 -8.176813415e+00 -8.539375678e+00 -8.025365680e+00 2.74 -8.089116752e+00 -8.568277414e+00 -8.093782679e+00 2.76 -7.993263372e+00 -8.582823948e+00 -8.152325343e+00 2.78 -7.889920760e+00 -8.583674191e+00 -8.202396484e+00 2.80 -7.779618689e+00 -8.572126964e+00 -8.245671679e+00 2.82 -7.662517366e+00 -8.549810740e+00 -8.283571570e+00 2.84 -7.538613845e+00 -8.517772003e+00 -8.316533347e+00 2.86 -7.407879539e+00 -8.476741552e+00 -8.344505939e+00 2.88 -7.270424023e+00 -8.427387618e+00 -8.367273278e+00 2.90 -7.126958503e+00 -8.370435206e+00 -8.384606199e+00 2.92 -6.978435831e+00 -8.306613431e+00 -8.396252586e+00 2.94 -6.825877445e+00 -8.236647723e+00 -8.401987301e+00 2.96 -6.670262303e+00 -8.161218993e+00 -8.401591450e+00 2.98 -6.512454770e+00 -8.080731881e+00 -8.394867379e+00 3.00 -6.353353302e+00 -7.995535414e+00 -8.381794072e+00 3.02 -6.193865406e+00 -7.905967987e+00 -8.362389151e+00 3.04 -6.034861146e+00 -7.812240734e+00 -8.336417549e+00 3.06 -5.876988353e+00 -7.714475203e+00 -8.303486936e+00 3.08 -5.720568875e+00 -7.612748718e+00 -8.263124107e+00 3.10 -5.565892018e+00 -7.507135155e+00 -8.214822955e+00 3.12 -5.413262592e+00 -7.397712431e+00 -8.158076088e+00 3.14 -5.262921731e+00 -7.284495322e+00 -8.092389664e+00 3.16 -5.115076051e+00 -7.167343297e+00 -8.017281698e+00 3.18 -4.969926937e+00 -7.046072572e+00 -7.932269726e+00 3.20 -4.827671872e+00 -6.920488318e+00 -7.836872205e+00 3.22 -4.688529956e+00 -6.790547851e+00 -7.730861391e+00 3.24 -4.552767344e+00 -6.656675581e+00 -7.614849503e+00 3.26 -4.420513856e+00 -6.519410842e+00 -7.489682107e+00 3.28 -4.291822464e+00 -6.379314272e+00 -7.356245145e+00 3.30 -4.166673035e+00 -6.236940690e+00 -7.215418347e+00 3.32 -4.045015097e+00 -6.092828887e+00 -7.068113665e+00 3.34 -3.926732315e+00 -5.947530021e+00 -6.915330694e+00 3.36 -3.811658870e+00 -5.801597001e+00 -6.758084907e+00 3.38 -3.699658202e+00 -5.655582893e+00 -6.597393144e+00 3.40 -3.590617871e+00 -5.510041018e+00 -6.434273722e+00 3.42 -3.484392979e+00 -5.365446081e+00 -6.269629980e+00 3.44 -3.380746105e+00 -5.222005723e+00 -6.103969010e+00 3.46 -3.279520732e+00 -5.079883503e+00 -5.937733606e+00 3.48 -3.180650842e+00 -4.939254821e+00 -5.771393718e+00 3.50 -3.084069224e+00 -4.800273576e+00 -5.605439724e+00 3.52 -2.989703307e+00 -4.663087170e+00 -5.440375088e+00 3.54 -2.897474335e+00 -4.527845922e+00 -5.276709290e+00 3.56 -2.807296417e+00 -4.394704259e+00 -5.114956949e+00 3.58 -2.719075354e+00 -4.263838852e+00 -4.955636954e+00 3.60 -2.632705532e+00 -4.135450627e+00 -4.799275965e+00 3.62 -2.548074385e+00 -4.009705017e+00 -4.646344170e+00 3.64 -2.465045800e+00 -3.886628414e+00 -4.497103083e+00 3.66 -2.383474114e+00 -3.766258932e+00 -4.351757944e+00 3.68 -2.303212165e+00 -3.648735037e+00 -4.210495476e+00 3.70 -2.224161610e+00 -3.534221060e+00 -4.073513852e+00 3.72 -2.146288646e+00 -3.422858595e+00 -3.940978442e+00 3.74 -2.069518496e+00 -3.314668739e+00 -3.812893555e+00 3.76 -1.993764798e+00 -3.209641641e+00 -3.689223777e+00 3.78 -1.918992565e+00 -3.107764306e+00 -3.569931300e+00 3.80 -1.845255635e+00 -3.009020048e+00 -3.454976270e+00 3.82 -1.772615081e+00 -2.913375041e+00 -3.344297086e+00 3.84 -1.701123939e+00 -2.820751071e+00 -3.237763262e+00 3.86 -1.630833217e+00 -2.731058529e+00 -3.135223483e+00 3.88 -1.561793254e+00 -2.644201195e+00 -3.036522248e+00 3.90 -1.494053610e+00 -2.560075091e+00 -2.941500135e+00 3.92 -1.427661769e+00 -2.478580931e+00 -2.849993200e+00 3.94 -1.362662019e+00 -2.399644184e+00 -2.761832296e+00 3.96 -1.299094282e+00 -2.323188587e+00 -2.676842296e+00 3.98 -1.236997578e+00 -2.249130338e+00 -2.594841196e+00 4.00 -1.176404417e+00 -2.177375678e+00 -2.515639094e+00 4.02 -1.117345610e+00 -2.107810891e+00 -2.439030818e+00 4.04 -1.059876252e+00 -2.040302267e+00 -2.364786356e+00 4.06 -1.004071935e+00 -1.974706478e+00 -2.292667417e+00 4.08 -9.500005341e-01 -1.910870541e+00 -2.222429805e+00 4.10 -8.975838807e-01 -1.848630135e+00 -2.153822480e+00 4.12 -8.469951444e-01 -1.787820053e+00 -2.086601693e+00 4.14 -8.008840323e-01 -1.728308211e+00 -2.020574270e+00 4.16 -7.563818670e-01 -1.669964488e+00 -1.955559760e+00 4.18 -7.084597294e-01 -1.612648083e+00 -1.891377871e+00 4.20 -6.574859787e-01 -1.556204185e+00 -1.827848359e+00 4.22 -6.086311155e-01 -1.500495368e+00 -1.764836680e+00 4.24 -5.644467485e-01 -1.445468575e+00 -1.702357598e+00 4.26 -5.266368163e-01 -1.391084415e+00 -1.640456552e+00 4.28 -4.955574927e-01 -1.337358600e+00 -1.579177786e+00 4.30 -4.706687423e-01 -1.284331203e+00 -1.518563857e+00 4.32 -4.515114632e-01 -1.232040548e+00 -1.458655262e+00 4.34 -4.362303414e-01 -1.180522425e+00 -1.399489235e+00 4.36 -4.225931806e-01 -1.129804695e+00 -1.341099173e+00 4.38 -4.090651220e-01 -1.079912315e+00 -1.283513297e+00 4.40 -3.945375235e-01 -1.030858655e+00 -1.226753602e+00 4.42 -3.786434978e-01 -9.826626028e-01 -1.170835579e+00 4.44 -3.613672802e-01 -9.353194907e-01 -1.115772420e+00 4.46 -3.427790898e-01 -8.888342092e-01 -1.061566662e+00 4.48 -3.229164147e-01 -8.431898316e-01 -1.008202668e+00 4.50 -3.019362399e-01 -7.983276973e-01 -9.556439101e-01 4.52 -2.803977663e-01 -7.542391684e-01 -9.038753337e-01 4.54 -2.588093955e-01 -7.105703435e-01 -8.529423747e-01 4.56 -2.375782809e-01 -6.669454406e-01 -8.029724966e-01 4.58 -2.170094168e-01 -6.266851174e-01 -7.539521889e-01 4.60 -1.973239419e-01 -5.912763332e-01 -7.058185943e-01 4.62 -1.786745340e-01 -5.570711546e-01 -6.594393182e-01 4.64 -1.611579257e-01 -5.192854652e-01 -6.164844301e-01 4.66 -1.448269362e-01 -4.757992337e-01 -5.741864168e-01 4.68 -1.297001447e-01 -4.283147281e-01 -5.322791786e-01 4.70 -1.157697001e-01 -3.791560113e-01 -4.886513849e-01 4.72 -1.030077405e-01 -3.310301504e-01 -4.435730230e-01 4.74 -9.137161063e-02 -2.862404291e-01 -3.978998647e-01 4.76 -8.080716570e-02 -2.457723773e-01 -3.524836441e-01 4.78 -7.125048659e-02 -2.100466885e-01 -3.080296058e-01 4.80 -6.263251175e-02 -1.792119787e-01 -2.666291775e-01 4.82 -5.488131259e-02 -1.530164172e-01 -2.297492609e-01 4.84 -4.792319089e-02 -1.309703214e-01 -1.977547075e-01 4.86 -4.168408692e-02 -1.124491414e-01 -1.703446058e-01 4.88 -3.609042032e-02 -9.675094265e-02 -1.468190486e-01 4.90 -3.106955550e-02 -8.312816547e-02 -1.262408842e-01 4.92 -2.655683050e-02 -7.093205530e-02 -1.077267736e-01 4.94 -2.251568152e-02 -5.999751189e-02 -9.108068995e-02 4.96 -1.891697022e-02 -5.026929277e-02 -7.625216458e-02 4.98 -1.573223968e-02 -4.168168919e-02 -6.316070019e-02 5.00 -1.293376005e-02 -3.416283221e-02 -5.170663637e-02 5.02 -1.049444168e-02 -2.763723865e-02 -4.177835354e-02 5.04 -8.387525296e-03 -2.202670340e-02 -3.325615108e-02 5.06 -6.586838179e-03 -1.725351262e-02 -2.601891603e-02 5.08 -5.066839465e-03 -1.324185018e-02 -1.994752690e-02 5.10 -3.802557292e-03 -9.918329040e-03 -1.492650711e-02 5.12 -2.769519811e-03 -7.212182208e-03 -1.084483172e-02 5.14 -1.943683609e-03 -5.055208481e-03 -7.596114869e-03 5.16 -1.301362537e-03 -3.381552000e-03 -5.078368435e-03 5.18 -8.191593504e-04 -2.127380621e-03 -3.193487393e-03 5.20 -4.739021452e-04 -1.230515137e-03 -1.846587016e-03 5.22 -2.425870833e-04 -6.300499621e-04 -9.452892962e-04 5.24 -1.023285752e-04 -2.659959044e-04 -3.990321027e-04 5.26 -3.031773697e-05 -7.896705027e-05 -1.184539374e-04 5.28 -3.789683501e-06 -9.926660659e-06 -1.489004355e-05 5.30 2.050154647e-12 5.467117587e-12 8.200657116e-12 5.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 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