# 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 = 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 2022-12-14 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 nan nan 0.68 nan nan nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan 7.244710483e+03 nan 0.72 nan nan nan nan nan nan nan nan 6.361465762e+03 nan 0.74 nan nan nan nan nan nan nan nan 5.601353976e+03 nan 0.76 nan nan nan nan nan 4.382592547e+03 nan nan 4.945930102e+03 nan 0.78 nan nan nan nan nan 3.887096440e+03 nan nan 4.378598736e+03 nan 0.80 nan nan nan nan nan 3.456515585e+03 nan nan 3.885872320e+03 nan 0.82 nan nan nan nan nan 3.081247366e+03 nan nan 3.451157446e+03 nan 0.84 nan nan nan nan nan 2.752844050e+03 nan nan 3.063039083e+03 nan 0.86 nan 4.082596397e+03 nan 6.900233194e+03 6.900998944e+03 2.464842638e+03 nan nan 2.723966591e+03 4.187663584e+03 0.88 nan 3.651438729e+03 nan 6.219125947e+03 6.220114599e+03 2.211966501e+03 3.772388468e+03 nan 2.427055560e+03 3.752466420e+03 0.90 nan 3.263838683e+03 nan 5.615882671e+03 5.616759174e+03 1.989236393e+03 3.382193364e+03 nan 2.166340936e+03 3.369551468e+03 0.92 nan 2.903179392e+03 nan 5.080488029e+03 5.081039002e+03 1.792477310e+03 3.038309189e+03 nan 1.937142968e+03 3.031853194e+03 0.94 nan 2.585594353e+03 nan 4.603724230e+03 4.604017687e+03 1.618245674e+03 2.734663720e+03 nan 1.735060007e+03 2.732490329e+03 0.96 nan 2.305687278e+03 3.619763063e+03 4.178490480e+03 4.178563198e+03 1.463505739e+03 2.458165138e+03 3.817454658e+03 1.556594369e+03 2.466602715e+03 0.98 3.798680059e+03 2.058665930e+03 3.273729664e+03 3.798634245e+03 3.798521256e+03 1.325686740e+03 2.211911247e+03 3.452546768e+03 1.398809971e+03 2.229983335e+03 1.00 3.458903140e+03 1.840317901e+03 2.965385678e+03 3.458665903e+03 3.458401710e+03 1.202701767e+03 1.992857074e+03 3.110821853e+03 1.259066708e+03 2.018998814e+03 1.02 3.106584290e+03 1.641208786e+03 2.658580373e+03 3.106100401e+03 3.105639571e+03 1.076775948e+03 1.781746923e+03 2.790129390e+03 1.123051563e+03 1.806823497e+03 1.04 2.792080212e+03 1.464833466e+03 2.385740573e+03 2.791549062e+03 2.791043016e+03 9.647906300e+02 1.594201080e+03 2.504372685e+03 1.002691342e+03 1.618175081e+03 1.06 2.511237668e+03 1.308515963e+03 2.143549896e+03 2.510972971e+03 2.510708160e+03 8.654623246e+02 1.427524373e+03 2.249649414e+03 8.961370811e+02 1.450418936e+03 1.08 2.260327340e+03 1.170155206e+03 1.927418022e+03 2.260326998e+03 2.260313997e+03 7.767963661e+02 1.279094833e+03 2.022439286e+03 8.016878734e+02 1.301137801e+03 1.10 2.036009046e+03 1.047414450e+03 1.734181270e+03 2.036216031e+03 2.036416960e+03 6.974759617e+02 1.146848177e+03 1.819610182e+03 7.178492355e+02 1.168169932e+03 1.12 1.835354221e+03 9.383839740e+02 1.561341882e+03 1.835716649e+03 1.836085912e+03 6.264976554e+02 1.028979904e+03 1.638607438e+03 6.433721707e+02 1.049634670e+03 1.14 1.655779025e+03 8.413944547e+02 1.406664726e+03 1.656233366e+03 1.656702193e+03 5.629638185e+02 9.239055335e+02 1.476855879e+03 5.771065408e+02 9.439477879e+02 1.16 1.495233004e+03 7.549552456e+02 1.268126004e+03 1.495678723e+03 1.496137874e+03 5.060517345e+02 8.302183206e+02 1.332512728e+03 5.179966537e+02 8.497912167e+02 1.18 1.351784953e+03 6.778449549e+02 1.143913586e+03 1.352119224e+03 1.352455682e+03 4.550212100e+02 7.466546997e+02 1.203024229e+03 4.652063315e+02 7.659213938e+02 1.20 1.222754210e+03 6.089125906e+02 1.032447880e+03 1.222993609e+03 1.223223268e+03 4.092268193e+02 6.721018512e+02 1.086700266e+03 4.180072622e+02 6.908632410e+02 1.22 1.106566949e+03 5.472412560e+02 9.323531813e+02 1.106735675e+03 1.106890324e+03 3.681101532e+02 6.055622237e+02 9.821242007e+02 3.757471325e+02 6.235523538e+02 1.24 1.001885423e+03 4.920426450e+02 8.427243508e+02 1.002026280e+03 1.002155415e+03 3.314744144e+02 5.462302791e+02 8.880773609e+02 3.379790878e+02 5.630995554e+02 1.26 9.075664674e+02 4.426195336e+02 7.620973447e+02 9.076691465e+02 9.077659840e+02 2.984725991e+02 4.930916291e+02 8.034795142e+02 3.040597533e+02 5.087764631e+02 1.28 8.225713293e+02 3.983429617e+02 6.894737062e+02 8.226129581e+02 8.226538117e+02 2.686492968e+02 4.454416715e+02 7.273533397e+02 2.735041240e+02 4.599328850e+02 1.30 7.459532077e+02 3.586472629e+02 6.240859588e+02 7.459227528e+02 7.458955663e+02 2.417182527e+02 4.026490036e+02 6.588056422e+02 2.459677679e+02 4.159806780e+02 1.32 6.768515756e+02 3.230418573e+02 5.652371145e+02 6.767546239e+02 6.766635924e+02 2.174186688e+02 3.641646480e+02 5.970309627e+02 2.211428740e+02 3.763865473e+02 1.34 6.144699037e+02 2.910916233e+02 5.122709012e+02 6.143276907e+02 6.141917558e+02 1.955125384e+02 3.295196230e+02 5.413310985e+02 1.987687617e+02 3.406613588e+02 1.36 5.580879550e+02 2.624054833e+02 4.645818755e+02 5.579317359e+02 5.577802799e+02 1.758025678e+02 2.982948417e+02 4.910785792e+02 1.787375960e+02 3.083703500e+02 1.38 5.070915392e+02 2.366365932e+02 4.216230285e+02 5.069505598e+02 5.068125775e+02 1.580752952e+02 2.702711640e+02 4.456788489e+02 1.605875811e+02 2.791528193e+02 1.40 4.609451129e+02 2.134868006e+02 3.828757726e+02 4.608363402e+02 4.607291144e+02 1.421122251e+02 2.449331025e+02 4.046647832e+02 1.441611332e+02 2.526989391e+02 1.42 4.192429395e+02 1.926772072e+02 3.478594675e+02 4.191686099e+02 4.190939849e+02 1.277107683e+02 2.218981689e+02 3.676602042e+02 1.293181603e+02 2.288517200e+02 1.44 3.816090434e+02 1.739417868e+02 3.161698439e+02 3.815609768e+02 3.815112407e+02 1.147047535e+02 2.009326771e+02 3.343055746e+02 1.159086520e+02 2.074242902e+02 1.46 3.475194340e+02 1.570377006e+02 2.874764321e+02 3.474868680e+02 3.474532434e+02 1.029614356e+02 1.818316504e+02 3.041396315e+02 1.037965090e+02 1.878853968e+02 1.48 3.166403788e+02 1.417559108e+02 2.614784734e+02 3.166138124e+02 3.165893899e+02 9.235871395e+01 1.644175104e+02 2.768342920e+02 9.285668537e+01 1.700743948e+02 1.50 2.886560050e+02 1.279134658e+02 2.379031618e+02 2.886317830e+02 2.886127957e+02 8.278829526e+01 1.485367569e+02 2.520892256e+02 8.297613336e+01 1.538390502e+02 1.52 2.632734306e+02 1.153521075e+02 2.165100144e+02 2.632542229e+02 2.632400911e+02 7.415957952e+01 1.340534236e+02 2.296224115e+02 7.405482061e+01 1.390390388e+02 1.54 2.402126076e+02 1.039644571e+02 1.970854915e+02 2.402036333e+02 2.401968700e+02 6.639069476e+01 1.208606734e+02 2.091846700e+02 6.600618595e+01 1.255680908e+02 1.56 2.192120241e+02 9.364614138e+01 1.794304025e+02 2.192182524e+02 2.192234405e+02 5.940173644e+01 1.088685201e+02 1.905532314e+02 5.875006524e+01 1.133117499e+02 1.58 2.000388441e+02 8.428838249e+01 1.633587006e+02 2.000645651e+02 2.000866113e+02 5.311410018e+01 9.797033231e+01 1.735488879e+02 5.221050834e+01 1.021534478e+02 1.60 1.825160168e+02 7.579517171e+01 1.487108699e+02 1.825636529e+02 1.826055013e+02 4.745852630e+01 8.807086351e+01 1.580198084e+02 4.631940086e+01 9.199738360e+01 1.62 1.664951468e+02 6.808007064e+01 1.353442865e+02 1.665640846e+02 1.666260039e+02 4.237006326e+01 7.918121521e+01 1.438303404e+02 4.101369880e+01 8.275844279e+01 1.64 1.518412181e+02 6.112967029e+01 1.231213008e+02 1.519273702e+02 1.520061845e+02 3.778136272e+01 7.107377353e+01 1.308551137e+02 3.629024949e+01 7.435556474e+01 1.66 1.384272734e+02 5.488327584e+01 1.119176015e+02 1.385241770e+02 1.386144641e+02 3.362891017e+01 6.367971579e+01 1.189783579e+02 3.203306519e+01 6.671245231e+01 1.68 1.261374604e+02 4.915539223e+01 1.016522156e+02 1.262369154e+02 1.263319600e+02 2.986103533e+01 5.694364449e+01 1.080992518e+02 2.817089627e+01 5.976033618e+01 1.70 1.148639402e+02 4.390311876e+01 9.225367428e+01 1.149584029e+02 1.150518630e+02 2.644360895e+01 5.081826245e+01 9.814787741e+01 2.467103626e+01 5.343547876e+01 1.72 1.045221351e+02 3.908790921e+01 8.365154340e+01 1.046063226e+02 1.046930076e+02 2.334752652e+01 4.525972821e+01 8.904028114e+01 2.150352248e+01 4.767988261e+01 1.74 9.504312672e+01 3.467428061e+01 7.584344211e+01 9.511453019e+01 9.519117758e+01 2.054454977e+01 4.022396209e+01 8.070195824e+01 1.864050548e+01 4.244505815e+01 1.76 8.635096870e+01 3.063053649e+01 6.875753481e+01 8.640844547e+01 8.647270875e+01 1.800747629e+01 3.566646181e+01 7.306992959e+01 1.605546478e+01 3.769051509e+01 1.78 7.838297760e+01 2.692873469e+01 6.222888648e+01 7.842600363e+01 7.847591189e+01 1.571081603e+01 3.154590748e+01 6.608513014e+01 1.372035042e+01 3.338089994e+01 1.80 7.108069240e+01 2.362843686e+01 5.621368124e+01 7.110931613e+01 7.114368480e+01 1.363050104e+01 2.782208144e+01 5.969184604e+01 1.160777381e+01 2.948054065e+01 1.82 6.439041554e+01 2.064499069e+01 5.067123403e+01 6.440481110e+01 6.442309206e+01 1.174394166e+01 2.445228959e+01 5.383994845e+01 9.692419068e+00 2.595512083e+01 1.84 5.826320751e+01 1.788414622e+01 4.556410112e+01 5.826354204e+01 5.826574381e+01 1.003032121e+01 2.139569666e+01 4.848580615e+01 7.954914390e+00 2.277347697e+01 1.86 5.265183542e+01 1.533335488e+01 4.085961741e+01 5.263890353e+01 5.262599829e+01 8.472157063e+00 1.861648662e+01 4.358917118e+01 6.380363161e+00 1.990462120e+01 1.88 4.750961955e+01 1.298112126e+01 3.653130281e+01 4.748512739e+01 4.745926980e+01 7.057018238e+00 1.608898503e+01 3.911063068e+01 4.956404450e+00 1.731318055e+01 1.90 4.279352338e+01 1.081647856e+01 3.255446946e+01 4.275985016e+01 4.272388578e+01 5.773977370e+00 1.382587981e+01 3.501335990e+01 3.671498659e+00 1.496543469e+01 1.92 3.846556528e+01 8.829005580e+00 2.890472687e+01 3.842509892e+01 3.838178192e+01 4.612347712e+00 1.177280806e+01 3.126389425e+01 2.514288741e+00 1.283183626e+01 1.94 3.449440664e+01 7.008412999e+00 2.555845615e+01 3.444926844e+01 3.440113633e+01 3.562105252e+00 9.898499756e+00 2.783353736e+01 1.474156434e+00 1.089170568e+01 1.96 3.085390316e+01 5.344111502e+00 2.249349775e+01 3.080604027e+01 3.075546076e+01 2.614087974e+00 8.189764426e+00 2.486888665e+01 5.411806879e-01 9.131780619e+00 1.98 2.751961118e+01 3.826007955e+00 1.968920507e+01 2.747095457e+01 2.742020558e+01 1.759924625e+00 6.634551337e+00 2.211669519e+01 -2.935960904e-01 7.539882636e+00 2.00 2.446906497e+01 2.445839812e+00 1.712720260e+01 2.442170531e+01 2.437312584e+01 9.926559592e-01 5.221525774e+00 1.956194620e+01 -1.038116951e+00 6.103968248e+00 2.02 2.193019745e+01 1.227016408e+00 1.495614740e+01 2.188635999e+01 2.184225339e+01 3.889932459e-01 4.022859927e+00 1.727605885e+01 -1.637760728e+00 4.936245332e+00 2.04 1.954377857e+01 1.196355150e-01 1.293309294e+01 1.950564969e+01 1.946800016e+01 -1.703388872e-01 2.914769069e+00 1.513524104e+01 -2.184166791e+00 3.855108028e+00 2.06 1.730237597e+01 -8.823293743e-01 1.104904986e+01 1.727173225e+01 1.724192927e+01 -6.877300396e-01 1.890582329e+00 1.313336985e+01 -2.680300658e+00 2.854902232e+00 2.08 1.520048021e+01 -1.785156263e+00 9.295654153e+00 1.517834613e+01 1.515709397e+01 -1.165231334e+00 9.454256776e-01 1.126481722e+01 -3.128607349e+00 1.930494445e+00 2.10 1.323227127e+01 -2.594979798e+00 7.664891905e+00 1.321890548e+01 1.320626741e+01 -1.604893403e+00 7.570936487e-02 9.523212227e+00 -3.531370898e+00 1.076447966e+00 2.12 1.139094592e+01 -3.317603244e+00 6.150748833e+00 1.138619595e+01 1.138192644e+01 -2.008604772e+00 -7.234337322e-01 7.902082483e+00 -3.890704563e+00 2.867985405e-01 2.14 9.670375208e+00 -3.958660297e+00 4.748597426e+00 9.673794883e+00 9.677449420e+00 -2.377969764e+00 -1.457304065e+00 6.395264365e+00 -4.209292317e+00 -4.437400642e-01 2.16 8.065792657e+00 -4.525229301e+00 3.453676162e+00 8.076603548e+00 8.087491812e+00 -2.714667131e+00 -2.131042751e+00 4.997284996e+00 -4.490771405e+00 -1.117984578e+00 2.18 6.572444316e+00 -5.024258366e+00 2.260784312e+00 6.589520728e+00 6.606610082e+00 -3.020493045e+00 -2.748946316e+00 3.702642808e+00 -4.738418992e+00 -1.738385878e+00 2.20 5.185375362e+00 -5.462312144e+00 1.164362355e+00 5.207287033e+00 5.229198785e+00 -3.297198332e+00 -3.313401956e+00 2.505720702e+00 -4.955155406e+00 -2.307609117e+00 2.22 3.899357382e+00 -5.845995478e+00 1.593656714e-01 3.924574005e+00 3.949790629e+00 -3.546272689e+00 -3.826180836e+00 1.400839929e+00 -5.143380575e+00 -2.828481241e+00 2.24 2.708691762e+00 -6.180724689e+00 -7.586796513e-01 2.735881728e+00 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