{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" ] } "a" { "source-value" [ 9.80782 9.15066 8.743379 8.447468 8.214917 8.023322 7.860393 7.718659 7.593235 7.480752 7.378786 7.285539 7.199636 7.120004 7.04579 6.976303 6.910977 6.849341 6.791002 6.735623 6.682919 6.632644 6.584583 6.53855 6.492012 6.444055 6.394589 6.343515 6.290727 6.236105 6.179516 6.120814 6.059835 5.996395 5.930287 5.861277 5.789098 5.713445 5.633967 5.550257 5.461837 5.368147 5.268518 5.162146 5.048051 4.925023 4.791545 4.645674 4.484872 4.30573 4.103519 3.871407 3.598991 3.26927 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.80782e-10 9.150660000000001e-10 8.743379e-10 8.447468000000001e-10 8.214917e-10 8.023322e-10 7.860393000000001e-10 7.718659e-10 7.593235e-10 7.480752e-10 7.378786e-10 7.285539e-10 7.199636e-10 7.120004e-10 7.045790000000001e-10 6.976303e-10 6.910977e-10 6.849341e-10 6.791002e-10 6.735623000000001e-10 6.682919000000001e-10 6.632644e-10 6.584583000000001e-10 6.53855e-10 6.492012000000001e-10 6.444055e-10 6.394589e-10 6.343515e-10 6.290727e-10 6.236105e-10 6.179516e-10 6.120814000000001e-10 6.059835e-10 5.996395e-10 5.930287e-10 5.861277e-10 5.789098000000001e-10 5.713445e-10 5.633967e-10 5.550257000000001e-10 5.461837e-10 5.368147e-10 5.268518000000001e-10 5.162146e-10 5.048051e-10 4.925023e-10 4.791545e-10 4.645674e-10 4.4848720000000006e-10 4.3057299999999997e-10 4.1035190000000007e-10 3.8714070000000004e-10 3.598991e-10 3.26927e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 2.37543 2.8263 3.13018 3.35722 3.53514 3.67815 3.79464 3.89006 3.96819 4.03173 4.08275 4.12283 4.15323 4.17498 4.19185 4.23786 4.31529 4.4122 4.51589 4.61492 4.70012 4.76489 4.80506 4.81861 4.80475 4.77797 4.74345 4.69988 4.64571 4.57908 4.49774 4.39898 4.2795 4.13989 4.00245 3.86647 3.71769 3.5293 3.26172 2.86572 2.32986 1.66119 0.819792 -0.249855 -1.62655 -3.41399 -5.73949 -8.91209 -13.3893 -19.7473 -29.5663 -45.0845 -72.1351 -125.457 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.80585844170262e-19 4.5282318206742e-19 5.01510125621412e-19 5.378859439197479e-19 5.66391870591876e-19 5.8930459863471e-19 6.079683542441759e-19 6.232563236858039e-19 6.357741297272459e-19 6.4595436005968185e-19 6.541286652463499e-19 6.605501891954221e-19 6.654208061627819e-19 6.689055403417319e-19 6.716084123232899e-19 6.78980027016324e-19 6.91385680693386e-19 7.0691237445348e-19 7.235253439714259e-19 7.393916991779279e-19 7.53042244099608e-19 7.63419542158026e-19 7.698554856968039e-19 7.720264350358739e-19 7.6980581822115e-19 7.655151891952979e-19 7.5998447545473e-19 7.53003791860392e-19 7.44324801034014e-19 7.33649498121672e-19 7.20617393380716e-19 7.04794296943332e-19 6.856514905202999e-19 6.63283502533026e-19 6.412631868753299e-19 6.19476789006198e-19 5.95639605045546e-19 5.654561994376199e-19 5.22585157065048e-19 4.59138962358648e-19 3.73284725249124e-19 2.66151980263446e-19 1.3134515871401278e-19 -4.0031184288806996e-20 -2.6060204040327e-19 -5.46981500670966e-19 -9.195676769076659e-19 -1.4278742358105058e-18 -2.14520236056162e-18 -3.1638662644588198e-18 -4.737043501383419e-18 -7.223333245557299e-18 -1.1557317171125338e-17 -2.01004273971738e-17 ] } }