{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Au" "Au" ] } "a" { "source-value" [ 4.77965 4.459395 4.260914 4.116707 4.003377 3.910007 3.830607 3.761535 3.700412 3.645595 3.595904 3.550462 3.508598 3.469791 3.433624 3.399761 3.367926 3.337889 3.309458 3.28247 3.256786 3.232285 3.208863 3.18643 3.171158 3.155084 3.138121 3.120164 3.101088 3.080746 3.058957 3.0355 3.010097 2.982397 2.951942 2.918124 2.880105 2.836693 2.786101 2.725473 2.649817 2.54914 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.77965e-10 4.459395e-10 4.260914e-10 4.116707e-10 4.003377000000001e-10 3.910007e-10 3.8306070000000004e-10 3.761535e-10 3.700412e-10 3.6455950000000003e-10 3.595904e-10 3.550462e-10 3.508598e-10 3.469791e-10 3.4336240000000003e-10 3.399761e-10 3.3679260000000003e-10 3.337889e-10 3.309458e-10 3.28247e-10 3.256786e-10 3.232285e-10 3.208863e-10 3.18643e-10 3.1711580000000004e-10 3.1550840000000004e-10 3.138121e-10 3.120164e-10 3.101088e-10 3.080746e-10 3.058957e-10 3.0355e-10 3.0100970000000004e-10 2.9823970000000006e-10 2.951942e-10 2.9181240000000004e-10 2.8801050000000003e-10 2.836693e-10 2.786101e-10 2.725473e-10 2.649817e-10 2.54914e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.829502 1.24599 1.57599 1.84924 2.09069 2.30697 2.50219 2.67914 2.83978 2.98563 3.11784 3.23733 3.34487 3.44109 3.52653 3.60166 3.66688 3.72254 3.76896 3.80642 3.83519 3.85548 3.86751 3.87148 3.86953 3.86305 3.85092 3.83169 3.80346 3.76375 3.70919 3.63522 3.53546 3.40083 3.21798 2.96666 2.6148 2.10903 1.35438 0.166309 -1.86076 -5.80232 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.329008722256268e-19 1.9962960641976596e-19 2.52501435341766e-19 2.96280911865816e-19 3.3496546669374594e-19 3.69617342933898e-19 4.00895035182846e-19 4.2924555072147593e-19 4.54982916170052e-19 4.783506623769419e-19 4.99533039655056e-19 5.18677448254722e-19 5.359072557767579e-19 5.513233993491059e-19 5.650123965100019e-19 5.770495495612439e-19 5.874989455681919e-19 5.964166607130359e-19 6.038539646480639e-19 6.098557183190279e-19 6.14465180495046e-19 6.177159968854319e-19 6.196434153761339e-19 6.20279479499832e-19 6.19967055056202e-19 6.189288445973699e-19 6.169854043403279e-19 6.13904418673146e-19 6.09381474035364e-19 6.0301923062174995e-19 5.942777549066459e-19 5.82426454344948e-19 5.66443140244164e-19 5.44873036220622e-19 5.155772364679319e-19 4.75311333302244e-19 4.1893714625831994e-19 3.37903858640502e-19 2.1699559895569197e-19 2.66456393823906e-20 -2.9812661934818397e-19 -9.296341526990878e-19 ] } }