# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Ravelo-R-Germann-T-C-Guerrero-O-et-al--Ta-1 # implementation = 2013--Ravelo-R--Ta-1--LAMMPS--ipr1 # composition = Ta # 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 2022-05-24 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 1.073618872e+03 nan 0.70 nan nan nan nan nan nan nan nan 9.761714881e+02 nan 0.72 nan nan nan nan nan nan nan nan 8.894731846e+02 nan 0.74 nan nan nan nan nan 6.976292428e+02 nan nan 8.121051989e+02 nan 0.76 nan nan nan nan nan 6.376781649e+02 nan nan 7.428254746e+02 nan 0.78 nan nan nan nan nan 5.838677493e+02 nan nan 6.805819362e+02 nan 0.80 nan nan nan nan nan 5.354620370e+02 nan nan 6.245181465e+02 nan 0.82 nan nan nan nan nan 4.918517579e+02 nan nan 5.739351136e+02 nan 0.84 nan nan nan 1.073863099e+03 1.073849933e+03 4.525022997e+02 nan nan 5.282041877e+02 7.331486176e+02 0.86 nan 6.753276829e+02 nan 9.938758832e+02 9.938618193e+02 4.169184216e+02 6.870646719e+02 nan 4.867569263e+02 6.771218478e+02 0.88 nan 6.243670628e+02 nan 9.210872256e+02 9.210834845e+02 3.846362110e+02 6.354013086e+02 nan 4.490996669e+02 6.261813738e+02 0.90 nan 5.779539935e+02 nan 8.547391665e+02 8.547568935e+02 3.552243754e+02 5.883331581e+02 nan 4.148002286e+02 5.797699368e+02 0.92 nan 5.356058318e+02 nan 7.941485271e+02 7.941879526e+02 3.283451058e+02 5.453695191e+02 nan 3.834885063e+02 5.374104029e+02 0.94 nan 4.968908927e+02 nan 7.387004398e+02 7.387455962e+02 3.037428393e+02 5.060751351e+02 nan 3.548640004e+02 4.986975575e+02 0.96 6.878102783e+02 4.614329776e+02 6.244134290e+02 6.878640413e+02 6.878906486e+02 2.811990656e+02 4.700779845e+02 6.433620310e+02 3.286825153e+02 4.632553526e+02 0.98 6.411957049e+02 4.289079086e+02 5.817450934e+02 6.411900128e+02 6.411860004e+02 2.605133385e+02 4.370607745e+02 5.995102079e+02 3.047256106e+02 4.307236301e+02 1.00 5.983436905e+02 3.990264410e+02 5.425238660e+02 5.982791472e+02 5.982491275e+02 2.415086054e+02 4.067289670e+02 5.591795340e+02 2.827888212e+02 4.008029130e+02 1.02 5.588526985e+02 3.715322270e+02 5.063877887e+02 5.587663191e+02 5.587233242e+02 2.240291260e+02 3.788148737e+02 5.220134340e+02 2.626810896e+02 3.732444063e+02 1.04 5.223936070e+02 3.461959624e+02 4.730432107e+02 5.223291675e+02 5.222900601e+02 2.079444314e+02 3.530785452e+02 4.877135967e+02 2.442196599e+02 3.478270838e+02 1.06 4.886950567e+02 3.228087758e+02 4.422275744e+02 4.886830439e+02 4.886613497e+02 1.931425660e+02 3.293061638e+02 4.560266827e+02 2.272324817e+02 3.243777898e+02 1.08 4.575222384e+02 3.011909165e+02 4.137149292e+02 4.575638787e+02 4.575646255e+02 1.795250271e+02 3.073142926e+02 4.267287458e+02 2.115616093e+02 3.027555904e+02 1.10 4.286621705e+02 2.811897974e+02 3.873122177e+02 4.287291112e+02 4.287489204e+02 1.670081853e+02 2.869609204e+02 3.996092899e+02 1.970665701e+02 2.828218050e+02 1.12 4.019114703e+02 2.626726218e+02 3.628414250e+02 4.019716754e+02 4.020022491e+02 1.555100450e+02 2.681314857e+02 3.744711369e+02 1.836265441e+02 2.644289043e+02 1.14 3.770863247e+02 2.455123015e+02 3.401423347e+02 3.771184662e+02 3.771489127e+02 1.449357054e+02 2.507170994e+02 3.511386604e+02 1.711383913e+02 2.474227598e+02 1.16 3.540158291e+02 2.295899798e+02 3.190623549e+02 3.540152068e+02 3.540380894e+02 1.350976999e+02 2.346042874e+02 3.294542744e+02 1.595139594e+02 2.316582954e+02 1.18 3.325448645e+02 2.148029630e+02 2.994487631e+02 3.325207987e+02 3.325354128e+02 1.259006262e+02 2.196802809e+02 3.092727303e+02 1.486800695e+02 2.170082113e+02 1.20 3.125326068e+02 2.010578377e+02 2.811608964e+02 3.125032156e+02 3.125131200e+02 1.173040498e+02 2.058367017e+02 2.904643938e+02 1.385631880e+02 2.033604398e+02 1.22 2.938542271e+02 1.882729291e+02 2.640867157e+02 2.938384901e+02 2.938477714e+02 1.092733196e+02 1.929727271e+02 2.729172085e+02 1.290283550e+02 1.906157287e+02 1.24 2.764081718e+02 1.763742460e+02 2.481364598e+02 2.764157052e+02 2.764269625e+02 1.017682361e+02 1.809940428e+02 2.565383488e+02 1.200691026e+02 1.786882769e+02 1.26 2.601075274e+02 1.652873867e+02 2.332333168e+02 2.601376277e+02 2.601523426e+02 9.474103466e+01 1.698097799e+02 2.412462414e+02 1.116990353e+02 1.675070054e+02 1.28 2.448724066e+02 1.549415499e+02 2.193069874e+02 2.449192054e+02 2.449376535e+02 8.814320108e+01 1.593373834e+02 2.269669367e+02 1.039143229e+02 1.570170848e+02 1.30 2.306296622e+02 1.452770245e+02 2.062994892e+02 2.306841923e+02 2.307043372e+02 8.193259412e+01 1.495072452e+02 2.136322187e+02 9.668469411e+01 1.471768783e+02 1.32 2.173136333e+02 1.362302923e+02 1.941608045e+02 2.173626860e+02 2.173793336e+02 7.607435396e+01 1.402636194e+02 2.011768815e+02 8.996086826e+01 1.379444925e+02 1.34 2.048592043e+02 1.276764523e+02 1.828362219e+02 2.048889761e+02 2.048952093e+02 7.053936277e+01 1.315018245e+02 1.895359141e+02 8.369364161e+01 1.292137239e+02 1.36 1.932022642e+02 1.195893923e+02 1.722659245e+02 1.932021445e+02 1.931923940e+02 6.530421362e+01 1.231749110e+02 1.786437811e+02 7.783968856e+01 1.209709230e+02 1.38 1.822824928e+02 1.119698535e+02 1.623872872e+02 1.822470401e+02 1.822187572e+02 6.034908213e+01 1.152943971e+02 1.684382757e+02 7.235780963e+01 1.132184348e+02 1.40 1.720452573e+02 1.048120773e+02 1.531402023e+02 1.719736029e+02 1.719272199e+02 5.565602874e+01 1.078675030e+02 1.588614008e+02 6.721005919e+01 1.059495483e+02 1.42 1.624345982e+02 9.809348262e+01 1.444704641e+02 1.623336039e+02 1.622730721e+02 5.120652331e+01 1.008890142e+02 1.498579322e+02 6.236356027e+01 9.914481620e+01 1.44 1.533933218e+02 9.177632757e+01 1.363165067e+02 1.532783713e+02 1.532107297e+02 4.698225977e+01 9.433795179e+01 1.413779518e+02 5.779097595e+01 9.277596310e+01 1.46 1.448677762e+02 8.582107962e+01 1.285651655e+02 1.447606757e+02 1.446949926e+02 4.297078130e+01 8.818409194e+01 1.333484291e+02 5.346856988e+01 8.681123485e+01 1.48 1.368081976e+02 8.019584468e+01 1.211827048e+02 1.367299554e+02 1.366752487e+02 3.916615561e+01 8.239691018e+01 1.256882957e+02 4.937298006e+01 8.121982560e+01 1.50 1.291234536e+02 7.487198218e+01 1.141530225e+02 1.290872051e+02 1.290509952e+02 3.556274154e+01 7.694838440e+01 1.183964065e+02 4.548055582e+01 7.597313596e+01 1.52 1.217945921e+02 6.982171160e+01 1.074606844e+02 1.218054016e+02 1.217937720e+02 3.215422152e+01 7.181278492e+01 1.114747144e+02 4.177152381e+01 7.104211107e+01 1.54 1.148242425e+02 6.502067336e+01 1.010908973e+02 1.148795211e+02 1.148958171e+02 2.893904345e+01 6.696843898e+01 1.049219909e+02 3.823125634e+01 6.639840981e+01 1.56 1.082149546e+02 6.045003946e+01 9.502948330e+01 1.083059997e+02 1.083504713e+02 2.592171788e+01 6.239949958e+01 9.872770994e+01 3.484961370e+01 6.201563113e+01 1.58 1.019619241e+02 5.609739407e+01 8.926285495e+01 1.020775196e+02 1.021479941e+02 2.311126648e+01 5.809304266e+01 9.287120196e+01 3.161962532e+01 5.786903507e+01 1.60 9.604922692e+01 5.195638267e+01 8.377799179e+01 9.617792006e+01 9.627022402e+01 2.051492152e+01 5.403548910e+01 8.732720750e+01 2.853718027e+01 5.393603607e+01 1.62 9.045349208e+01 4.802289543e+01 7.856241732e+01 9.058381665e+01 9.069182202e+01 1.813382205e+01 5.021145851e+01 8.207136137e+01 2.560305862e+01 5.019687374e+01 1.64 8.514959465e+01 4.429017569e+01 7.360417713e+01 8.527052256e+01 8.538634510e+01 1.596189466e+01 4.660265274e+01 7.708052093e+01 2.282335598e+01 4.663182132e+01 1.66 8.011300878e+01 4.074898044e+01 6.889181786e+01 8.021538947e+01 8.032993505e+01 1.398745087e+01 4.318815769e+01 7.233274597e+01 2.020824230e+01 4.322040578e+01 1.68 7.532095637e+01 3.739059100e+01 6.441436694e+01 7.539853671e+01 7.550224362e+01 1.219496741e+01 3.994845936e+01 6.780965125e+01 1.776819013e+01 3.994570456e+01 1.70 7.075419722e+01 3.420714339e+01 6.016131319e+01 7.080311542e+01 7.088689183e+01 1.056697080e+01 3.686636244e+01 6.349759479e+01 1.550936603e+01 3.679619566e+01 1.72 6.639690859e+01 3.119150072e+01 5.612258809e+01 6.641588272e+01 6.647244851e+01 9.086408954e+00 3.392686921e+01 5.938634060e+01 1.343050845e+01 3.376376119e+01 1.74 6.223592002e+01 2.833726923e+01 5.228854791e+01 6.222674941e+01 6.225175281e+01 7.737307359e+00 3.111724428e+01 5.546814097e+01 1.152408023e+01 3.084143135e+01 1.76 5.826125237e+01 2.563992413e+01 4.864995646e+01 5.822787538e+01 5.821982149e+01 6.505140281e+00 2.842610913e+01 5.173695207e+01 9.778930067e+00 2.802528191e+01 1.78 5.446695871e+01 2.309711560e+01 4.519796849e+01 5.441368784e+01 5.437340449e+01 5.377327556e+00 2.584553583e+01 4.818770034e+01 8.182526060e+00 2.531793228e+01 1.80 5.085022128e+01 2.070772730e+01 4.192411390e+01 5.078017390e+01 5.071023534e+01 4.343334590e+00 2.337258014e+01 4.481413783e+01 6.723326022e+00 2.272825746e+01 1.82 4.740732435e+01 1.847058171e+01 3.882028238e+01 4.732250715e+01 4.722701361e+01 3.393757959e+00 2.100879734e+01 4.160752335e+01 5.390703409e+00 2.026762540e+01 1.84 4.413157403e+01 1.638359879e+01 3.587870879e+01 4.403367538e+01 4.391802713e+01 2.520170992e+00 1.875926147e+01 3.855864895e+01 4.174759694e+00 1.794734441e+01 1.86 4.101443963e+01 1.444314935e+01 3.309195907e+01 4.090595842e+01 4.077662494e+01 1.715276273e+00 1.663063755e+01 3.565822417e+01 3.066258559e+00 1.577635248e+01 1.88 3.804743862e+01 1.264359561e+01 3.045291672e+01 3.793206806e+01 3.779622911e+01 9.731929753e-01 1.462870358e+01 3.289689318e+01 2.056289175e+00 1.375909583e+01 1.90 3.522229080e+01 1.097715044e+01 2.795476982e+01 3.510461689e+01 3.496966665e+01 2.896162611e-01 1.275554003e+01 3.026516748e+01 1.136206305e+00 1.189484233e+01 1.92 3.253041953e+01 9.434670378e+00 2.559099853e+01 3.241570420e+01 3.228886082e+01 -3.391672857e-01 1.100889099e+01 2.775359430e+01 2.977123050e-01 1.017900672e+01 1.94 2.996252425e+01 8.006663522e+00 2.335536315e+01 2.985655049e+01 2.974453528e+01 -9.168303582e-01 9.383879618e+00 2.535504798e+01 -4.669866232e-01 8.603883978e+00 1.96 2.750909077e+01 6.684161161e+00 2.124189260e+01 2.741803665e+01 2.732680509e+01 -1.446967321e+00 7.873808745e+00 2.306602641e+01 -1.164820338e+00 7.160468685e+00 1.98 2.516269657e+01 5.459689784e+00 1.924487338e+01 2.509289749e+01 2.502732128e+01 -1.933014823e+00 6.471879184e+00 2.088621069e+01 -1.801651996e+00 5.839672830e+00 2.00 2.291956816e+01 4.326977341e+00 1.735883897e+01 2.287665507e+01 2.284007888e+01 -2.378148462e+00 5.171768315e+00 1.881809432e+01 -2.382380856e+00 4.632429821e+00 2.02 2.078056938e+01 3.280025075e+00 1.557855965e+01 2.076803187e+01 2.076179303e+01 -2.785153898e+00 3.967633472e+00 1.686546711e+01 -2.911199870e+00 3.529748820e+00 2.04 1.874986173e+01 2.312864950e+00 1.389903274e+01 1.876814288e+01 1.879137959e+01 -3.156308827e+00 2.854081096e+00 1.503132883e+01 -3.391966851e+00 2.522786808e+00 2.06 1.683166912e+01 1.419587508e+00 1.231547318e+01 1.687852459e+01 1.692854133e+01 -3.493316079e+00 1.826154827e+00 1.331638881e+01 -3.828226743e+00 1.603022054e+00 2.08 1.502897267e+01 5.943711232e-01 1.082330457e+01 1.510025861e+01 1.517311993e+01 -3.797199035e+00 8.793322104e-01 1.171832875e+01 -4.223200510e+00 7.624262842e-01 2.10 1.334255562e+01 -1.684916751e-01 9.418150502e+00 1.343295311e+01 1.352391492e+01 -4.068264311e+00 9.418563280e-03 1.023212750e+01 -4.579891873e+00 -6.494187939e-03 2.12 1.177029458e+01 -8.745714206e-01 8.095826249e+00 1.187403241e+01 1.197789854e+01 -4.306271600e+00 -7.876014242e-01 8.851407180e+00 -4.901069051e+00 -7.106521188e-01 2.14 1.030743403e+01 -1.529218004e+00 6.852330814e+00 1.041883713e+01 1.053025162e+01 -4.511028265e+00 -1.515774852e+00 7.568862611e+00 -5.189218438e+00 -1.356256965e+00 2.16 8.947860914e+00 -2.137388087e+00 5.683839278e+00 9.061554384e+00 9.175247860e+00 -4.683129019e+00 -2.179180066e+00 6.376946210e+00 -5.446462583e+00 -1.948634343e+00 2.18 7.684526782e+00 -2.703581210e+00 4.586695456e+00 7.795566327e+00 7.906605872e+00 -4.824158921e+00 -2.781895751e+00 5.268443624e+00 -5.674472558e+00 -2.492107418e+00 2.20 6.510076342e+00 -3.231812052e+00 3.557404857e+00 6.614018937e+00 6.717961532e+00 -4.936981258e+00 -3.327996602e+00 4.236565410e+00 -5.874471102e+00 -2.990276018e+00 2.22 5.417407270e+00 -3.725577324e+00 2.592627924e+00 5.510491199e+00 5.603575129e+00 -5.025608208e+00 -3.821538962e+00 3.275003838e+00 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