# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Ko-W-S-Lee-B-J--V-Pd-Y # implementation = 2013--Ko-W-S--V-Pd-Y--LAMMPS--ipr1 # composition = V3Y # 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 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 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 1.710296259e+02 nan nan 1.06 1.615032265e+02 nan nan 1.08 1.524512827e+02 nan nan 1.10 1.438514217e+02 nan nan 1.12 1.356822954e+02 1.656296515e+02 nan 1.14 1.279235342e+02 1.572729104e+02 nan 1.16 1.205557028e+02 1.492910223e+02 1.745333778e+02 1.18 1.135602578e+02 1.416681830e+02 1.660147544e+02 1.20 1.069195079e+02 1.343892304e+02 1.578670897e+02 1.22 1.006165746e+02 1.274396184e+02 1.500751443e+02 1.24 9.463535625e+01 1.208053929e+02 1.426242846e+02 1.26 8.896049236e+01 1.144731679e+02 1.355004592e+02 1.28 8.357733035e+01 1.084301033e+02 1.286901755e+02 1.30 7.847189335e+01 1.026638828e+02 1.221804785e+02 1.32 7.363084974e+01 9.716269334e+01 1.159589296e+02 1.34 6.904148386e+01 9.191520495e+01 1.100135864e+02 1.36 6.469166810e+01 8.691055151e+01 1.043329834e+02 1.38 6.056983628e+01 8.213831228e+01 9.890611331e+01 1.40 5.666495819e+01 7.758849412e+01 9.372240904e+01 1.42 5.296651527e+01 7.325151441e+01 8.877172665e+01 1.44 4.946447740e+01 6.911818469e+01 8.404432867e+01 1.46 4.614928072e+01 6.517969487e+01 7.953086824e+01 1.48 4.301180647e+01 6.142759814e+01 7.522237377e+01 1.50 4.004336076e+01 5.785379636e+01 7.111023428e+01 1.52 3.723565522e+01 5.445052619e+01 6.718618520e+01 1.54 3.458078864e+01 5.121034560e+01 6.344229486e+01 1.56 3.207122927e+01 4.812612102e+01 5.987095134e+01 1.58 2.969979802e+01 4.519101495e+01 5.646484997e+01 1.60 2.745965244e+01 4.239847407e+01 5.321698125e+01 1.62 2.534427129e+01 3.974221781e+01 5.012061920e+01 1.64 2.334743998e+01 3.721622739e+01 4.716931029e+01 1.66 2.146323650e+01 3.481473527e+01 4.435686262e+01 1.68 1.968601811e+01 3.253221503e+01 4.167733569e+01 1.70 1.801040855e+01 3.036337166e+01 3.912503044e+01 1.72 1.643128586e+01 2.830313218e+01 3.669447977e+01 1.74 1.494377074e+01 2.634663671e+01 3.438043934e+01 1.76 1.354321544e+01 2.448922985e+01 3.217787881e+01 1.78 1.222519315e+01 2.272645237e+01 3.008197336e+01 1.80 1.098548786e+01 2.105403330e+01 2.808809557e+01 1.82 9.820084687e+00 1.946788228e+01 2.619180757e+01 1.84 8.725160629e+00 1.796408222e+01 2.438885361e+01 1.86 7.697075745e+00 1.653888227e+01 2.267515273e+01 1.88 6.732364724e+00 1.518869106e+01 2.104679193e+01 1.90 5.827728848e+00 1.391007019e+01 1.950001943e+01 1.92 4.980028299e+00 1.269972802e+01 1.803123827e+01 1.94 4.186274832e+00 1.155451366e+01 1.663700016e+01 1.96 3.443624766e+00 1.047141120e+01 1.531399959e+01 1.98 2.749372295e+00 9.447534242e+00 1.405906806e+01 2.00 2.100943110e+00 8.480120545e+00 1.286916870e+01 2.02 1.495888292e+00 7.566526955e+00 1.174139094e+01 2.04 9.318784955e-01 6.704224513e+00 1.067294551e+01 2.06 4.066983950e-01 5.890793757e+00 9.661159573e+00 2.08 -8.175863046e-02 5.123920213e+00 8.703472036e+00 2.10 -5.354955538e-01 4.401390066e+00 7.797429100e+00 2.12 -9.564165432e-01 3.721086009e+00 6.940679937e+00 2.14 -1.346331578e+00 3.080983243e+00 6.130972556e+00 2.16 -1.706960851e+00 2.479145657e+00 5.366149823e+00 2.18 -2.039938988e+00 1.913722140e+00 4.644145643e+00 2.20 -2.346819052e+00 1.382943058e+00 3.962981287e+00 2.22 -2.629076387e+00 8.851168609e-01 3.320761865e+00 2.24 -2.888112276e+00 4.186268287e-01 2.715672940e+00 2.26 -3.125257429e+00 -1.807205121e-02 2.145977266e+00 2.28 -3.341775331e+00 -4.264560807e-01 1.610011668e+00 2.30 -3.538865410e+00 -8.079357308e-01 1.106184030e+00 2.32 -3.717666087e+00 -1.163858401e+00 6.329704145e-01 2.34 -3.879257670e+00 -1.495511071e+00 1.889122851e-01 2.36 -4.024665121e+00 -1.804122845e+00 -2.273861539e-01 2.38 -4.154860699e+00 -2.090867392e+00 -6.172605171e-01 2.40 -4.270766482e+00 -2.356865290e+00 -9.819886950e-01 2.42 -4.373256763e+00 -2.603186271e+00 -1.322793214e+00 2.44 -4.463160356e+00 -2.830851380e+00 -1.640843502e+00 2.46 -4.541262777e+00 -3.040835046e+00 -1.937258069e+00 2.48 -4.608308338e+00 -3.234067063e+00 -2.213106592e+00 2.50 -4.665002135e+00 -3.411434500e+00 -2.469411929e+00 2.52 -4.712011953e+00 -3.573783525e+00 -2.707152040e+00 2.54 -4.749970078e+00 -3.721921159e+00 -2.927261844e+00 2.56 -4.779475027e+00 -3.856616958e+00 -3.130634994e+00 2.58 -4.801093194e+00 -3.978604624e+00 -3.318125585e+00 2.60 -4.815360432e+00 -4.088583552e+00 -3.490549791e+00 2.62 -4.822783543e+00 -4.187220317e+00 -3.648687437e+00 2.64 -4.823841717e+00 -4.275150091e+00 -3.793283515e+00 2.66 -4.818987890e+00 -4.352978010e+00 -3.925049628e+00 2.68 -4.808650048e+00 -4.421280480e+00 -4.044665385e+00 2.70 -4.793232468e+00 -4.480606433e+00 -4.152779737e+00 2.72 -4.773116893e+00 -4.531478528e+00 -4.250012258e+00 2.74 -4.748663668e+00 -4.574394302e+00 -4.336954377e+00 2.76 -4.720212804e+00 -4.609827275e+00 -4.414170559e+00 2.78 -4.688085007e+00 -4.638228009e+00 -4.482199442e+00 2.80 -4.652582650e+00 -4.660025124e+00 -4.541554919e+00 2.82 -4.613990703e+00 -4.675626267e+00 -4.592727188e+00 2.84 -4.572577615e+00 -4.685419043e+00 -4.636183752e+00 2.86 -4.528596160e+00 -4.689771914e+00 -4.672370380e+00 2.88 -4.482284236e+00 -4.689035044e+00 -4.701712032e+00 2.90 -4.433865632e+00 -4.683541129e+00 -4.724613742e+00 2.92 -4.383550752e+00 -4.673606171e+00 -4.741461468e+00 2.94 -4.331537310e+00 -4.659530239e+00 -4.752622909e+00 2.96 -4.278010991e+00 -4.641598183e+00 -4.758448282e+00 2.98 -4.223146074e+00 -4.620080324e+00 -4.759271080e+00 3.00 -4.167106033e+00 -4.595233116e+00 -4.755408784e+00 3.02 -4.110044104e+00 -4.567299775e+00 -4.747163555e+00 3.04 -4.052103823e+00 -4.536510887e+00 -4.734822899e+00 3.06 -3.993419547e+00 -4.503084985e+00 -4.718660299e+00 3.08 -3.934116936e+00 -4.467229105e+00 -4.698935825e+00 3.10 -3.874313421e+00 -4.429397470e+00 -4.675896717e+00 3.12 -3.814118648e+00 -4.392940915e+00 -4.649777946e+00 3.14 -3.753634896e+00 -4.354502567e+00 -4.620802752e+00 3.16 -3.692957479e+00 -4.310690773e+00 -4.589183155e+00 3.18 -3.632175123e+00 -4.265329763e+00 -4.555120454e+00 3.20 -3.571370330e+00 -4.218567993e+00 -4.518805696e+00 3.22 -3.510619719e+00 -4.170545686e+00 -4.480420132e+00 3.24 -3.449994354e+00 -4.121395219e+00 -4.440135652e+00 3.26 -3.389560051e+00 -4.071241499e+00 -4.398115200e+00 3.28 -3.329400193e+00 -4.020202316e+00 -4.354513176e+00 3.30 -3.273783328e+00 -3.968388682e+00 -4.309475819e+00 3.32 -3.238803017e+00 -3.915905162e+00 -4.263141574e+00 3.34 -3.187524209e+00 -3.862850177e+00 -4.215641440e+00 3.36 -3.128486967e+00 -3.809316306e+00 -4.167099315e+00 3.38 -3.069942689e+00 -3.755390571e+00 -4.117632310e+00 3.40 -3.011928054e+00 -3.701154703e+00 -4.067351068e+00 3.42 -2.954476465e+00 -3.646685407e+00 -4.016505435e+00 3.44 -2.897618242e+00 -3.592054607e+00 -3.969784937e+00 3.46 -2.841380805e+00 -3.537329682e+00 -3.933998810e+00 3.48 -2.785788849e+00 -3.482573692e+00 -3.882707385e+00 3.50 -2.730864505e+00 -3.427845598e+00 -3.829588498e+00 3.52 -2.676627499e+00 -3.373200459e+00 -3.776201883e+00 3.54 -2.623095299e+00 -3.318689641e+00 -3.722620547e+00 3.56 -2.570283255e+00 -3.264360992e+00 -3.668913070e+00 3.58 -2.518204729e+00 -3.210259032e+00 -3.615143813e+00 3.60 -2.466871225e+00 -3.156425116e+00 -3.561373120e+00 3.62 -2.416292506e+00 -3.102897604e+00 -3.507657509e+00 3.64 -2.366476706e+00 -3.049712011e+00 -3.454049860e+00 3.66 -2.317430435e+00 -2.996901159e+00 -3.400599583e+00 3.68 -2.269158885e+00 -2.944495318e+00 -3.347352798e+00 3.70 -2.221665920e+00 -2.892522341e+00 -3.294352486e+00 3.72 -2.174954166e+00 -2.841007793e+00 -3.241638648e+00 3.74 -2.129025103e+00 -2.789975073e+00 -3.189248454e+00 3.76 -2.083879137e+00 -2.739445532e+00 -3.137216381e+00 3.78 -2.039515681e+00 -2.689438586e+00 -3.085574348e+00 3.80 -1.995933227e+00 -2.639971819e+00 -3.034351849e+00 3.82 -1.953129410e+00 -2.591061088e+00 -2.983576073e+00 3.84 -1.911101076e+00 -2.542720616e+00 -2.933272020e+00 3.86 -1.869844343e+00 -2.494963088e+00 -2.883462619e+00 3.88 -1.829354654e+00 -2.447799735e+00 -2.834168834e+00 3.90 -1.789626833e+00 -2.401240419e+00 -2.785409763e+00 3.92 -1.750655137e+00 -2.355293714e+00 -2.737202741e+00 3.94 -1.712433301e+00 -2.309966976e+00 -2.689563432e+00 3.96 -1.674954585e+00 -2.265266423e+00 -2.642505918e+00 3.98 -1.638211816e+00 -2.221197195e+00 -2.596042787e+00 4.00 -1.602197428e+00 -2.177763428e+00 -2.550185210e+00 4.02 -1.566903499e+00 -2.134968305e+00 -2.504943025e+00 4.04 -1.532321786e+00 -2.092814127e+00 -2.460324807e+00 4.06 -1.498443759e+00 -2.051302357e+00 -2.416337939e+00 4.08 -1.465260632e+00 -2.010433684e+00 -2.372988682e+00 4.10 -1.432763391e+00 -1.970208064e+00 -2.330282240e+00 4.12 -1.400942823e+00 -1.930624775e+00 -2.288222816e+00 4.14 -1.369789541e+00 -1.891682459e+00 -2.246813677e+00 4.16 -1.339294008e+00 -1.853379166e+00 -2.206057208e+00 4.18 -1.309446561e+00 -1.815712395e+00 -2.165954912e+00 4.20 -1.280237428e+00 -1.778679132e+00 -2.126500940e+00 4.22 -1.251656752e+00 -1.742275889e+00 -2.087666956e+00 4.24 -1.223694610e+00 -1.706498737e+00 -2.049463222e+00 4.26 -1.196341023e+00 -1.671343341e+00 -2.011986295e+00 4.28 -1.169585982e+00 -1.636804990e+00 -1.975162535e+00 4.30 -1.143419456e+00 -1.602878627e+00 -1.938987183e+00 4.32 -1.117831407e+00 -1.569558875e+00 -1.903457289e+00 4.34 -1.092811805e+00 -1.536840071e+00 -1.868569416e+00 4.36 -1.068350638e+00 -1.504716281e+00 -1.834319672e+00 4.38 -1.044437925e+00 -1.473181332e+00 -1.800703749e+00 4.40 -1.021063724e+00 -1.442228832e+00 -1.767716945e+00 4.42 -9.982181423e-01 -1.411852189e+00 -1.735354201e+00 4.44 -9.758913466e-01 -1.382044633e+00 -1.703610122e+00 4.46 -9.540735692e-01 -1.352799238e+00 -1.672479008e+00 4.48 -9.327551162e-01 -1.324108933e+00 -1.641954876e+00 4.50 -9.119263744e-01 -1.295966526e+00 -1.612031485e+00 4.52 -8.915778171e-01 -1.268364714e+00 -1.582702357e+00 4.54 -8.717000102e-01 -1.241296103e+00 -1.553960800e+00 4.56 -8.522836167e-01 -1.214753218e+00 -1.525799926e+00 4.58 -8.333194020e-01 -1.188728520e+00 -1.498212672e+00 4.60 -8.147982377e-01 -1.163214415e+00 -1.471191814e+00 4.62 -7.967111052e-01 -1.138203268e+00 -1.444729989e+00 4.64 -7.790490996e-01 -1.113687413e+00 -1.418819708e+00 4.66 -7.618034321e-01 -1.089659162e+00 -1.393453372e+00 4.68 -7.449654329e-01 -1.066110820e+00 -1.368623284e+00 4.70 -7.285265536e-01 -1.043034685e+00 -1.344321666e+00 4.72 -7.124783686e-01 -1.020423067e+00 -1.320540669e+00 4.74 -6.968125776e-01 -9.982682858e-01 -1.297272387e+00 4.76 -6.815210062e-01 -9.765626856e-01 -1.274508865e+00 4.78 -6.665956077e-01 -9.552986385e-01 -1.252242114e+00 4.80 -6.520284633e-01 -9.344685513e-01 -1.230464117e+00 4.82 -6.378117659e-01 -9.140648722e-01 -1.209166839e+00 4.84 -6.238613120e-01 -8.940800952e-01 -1.188342239e+00 4.86 -6.090405424e-01 -8.745067660e-01 -1.167982274e+00 4.88 -5.839183688e-01 -8.553374861e-01 -1.148078908e+00 4.90 -5.466664291e-01 -8.365649174e-01 -1.128624121e+00 4.92 -5.353568342e-01 -8.181817862e-01 -1.109609913e+00 4.94 -5.243301641e-01 -8.001808867e-01 -1.091028312e+00 4.96 -5.135801116e-01 -7.825550840e-01 -1.072871379e+00 4.98 -5.031004785e-01 -7.652973180e-01 -1.055131216e+00 5.00 -4.928851759e-01 -7.484006050e-01 -1.037799965e+00 5.02 -4.829282233e-01 -7.318580412e-01 -1.020869819e+00 5.04 -4.732237485e-01 -7.156628043e-01 -1.004333024e+00 5.06 -4.637659871e-01 -6.998081556e-01 -9.881818822e-01 5.08 -4.545492815e-01 -6.842874421e-01 -9.724087564e-01 5.10 -4.455680808e-01 -6.690940975e-01 -9.570060736e-01 5.12 -4.368169392e-01 -6.542448468e-01 -9.419663282e-01 5.14 -4.282905161e-01 -6.412743019e-01 -9.272820845e-01 5.16 -4.199835742e-01 -6.339201647e-01 -9.129459796e-01 5.18 -4.118909794e-01 -6.059481305e-01 -8.989507258e-01 5.20 -4.040076990e-01 -5.306351252e-01 -8.852891127e-01 5.22 -3.963288012e-01 -5.189042300e-01 -8.719540093e-01 5.24 -3.888494537e-01 -5.074157296e-01 -8.589383659e-01 5.26 -3.815649224e-01 -4.961647791e-01 -8.462352153e-01 5.28 -3.744704518e-01 -4.851466089e-01 -8.338376746e-01 5.30 -3.671004262e-01 -4.743565245e-01 -8.217389467e-01 5.32 -3.538566729e-01 -4.637899067e-01 -8.099323206e-01 5.34 -2.990783977e-01 -4.534422115e-01 -7.984111733e-01 5.36 -1.846607771e-01 -4.433089701e-01 -7.871689701e-01 5.38 -5.884651386e-02 -4.333857883e-01 -7.761992655e-01 5.40 -5.709048475e-02 -4.236683464e-01 -7.654957040e-01 5.42 -5.538496977e-02 -4.141523990e-01 -7.550520200e-01 5.44 -5.372859383e-02 -4.048337745e-01 -7.448620391e-01 5.46 -5.212001591e-02 -3.957083745e-01 -7.349196775e-01 5.48 -5.055792843e-02 -3.867721736e-01 -7.252189428e-01 5.50 -4.904105649e-02 -3.780212185e-01 -7.157539341e-01 5.52 -4.756815725e-02 -3.694516278e-01 -7.065188416e-01 5.54 -4.613801922e-02 -3.610595912e-01 -6.975079473e-01 5.56 -4.474946161e-02 -3.528413686e-01 -6.887156242e-01 5.58 -4.340133367e-02 -3.447932901e-01 -6.801363369e-01 5.60 -4.209251401e-02 -3.369117544e-01 -6.717646406e-01 5.62 -4.082191003e-02 -3.291932288e-01 -6.635951815e-01 5.64 -3.958845720e-02 -3.216342482e-01 -6.556226963e-01 5.66 -3.839111850e-02 -3.142314142e-01 -6.478420118e-01 5.68 -3.722888378e-02 -3.069813942e-01 -6.402480448e-01 5.70 -3.610076916e-02 -2.998809211e-01 -6.328358012e-01 5.72 -3.500581643e-02 -2.929267919e-01 -6.256003760e-01 5.74 -3.394309247e-02 -2.861158672e-01 -6.185369527e-01 5.76 -3.291168867e-02 -2.794450702e-01 -6.116408028e-01 5.78 -3.191072036e-02 -2.729113858e-01 -6.049072854e-01 5.80 -3.093932624e-02 -2.665118600e-01 -5.983318463e-01 5.82 -2.999666788e-02 -2.602435985e-01 -5.919100180e-01 5.84 -2.908192911e-02 -2.541037663e-01 -5.856374187e-01 5.86 -2.819431555e-02 -2.480895867e-01 -5.795097519e-01 5.88 -2.733305406e-02 -2.421983401e-01 -5.735228056e-01 5.90 -2.649739225e-02 -2.364273635e-01 -5.676724521e-01 5.92 -2.561360596e-02 -2.306428404e-01 -5.618035671e-01 5.94 -2.377738352e-02 -2.230811132e-01 -5.534344699e-01 5.96 -1.884608425e-02 -2.054016417e-01 -5.241045180e-01 5.98 -9.099071303e-03 -1.417341163e-01 -3.751679403e-01 6.00 -4.959498832e-24 -4.501306600e-22 -3.210190099e-22