{ "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" [ "C" "C" "C" "C" "C" "C" "C" "C" ] } "a" { "source-value" [ 5.46769 5.101335 4.874283 4.709318 4.579675 4.472864 4.382034 4.30302 4.233098 4.170391 4.113547 4.061563 4.013674 3.969281 3.927907 3.88917 3.852751 3.818391 3.785867 3.754995 3.725613 3.697586 3.670793 3.64513 3.627659 3.609272 3.589867 3.569324 3.547503 3.524233 3.499307 3.472473 3.443413 3.411726 3.376887 3.3382 3.294708 3.245047 3.187172 3.117817 3.03127 2.9161 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.467690000000001e-10 5.101335e-10 4.874283e-10 4.709318e-10 4.579675e-10 4.4728640000000006e-10 4.382034e-10 4.30302e-10 4.233098e-10 4.1703910000000006e-10 4.113547e-10 4.061563e-10 4.0136740000000003e-10 3.969281e-10 3.927907e-10 3.88917e-10 3.8527510000000003e-10 3.818391e-10 3.785867e-10 3.7549950000000004e-10 3.725613e-10 3.697586e-10 3.670793e-10 3.64513e-10 3.627659e-10 3.609272e-10 3.589867e-10 3.569324e-10 3.547503e-10 3.5242330000000003e-10 3.499307e-10 3.472473e-10 3.443413e-10 3.4117259999999997e-10 3.376887e-10 3.3382000000000004e-10 3.294708e-10 3.245047e-10 3.187172e-10 3.117817e-10 3.0312700000000004e-10 2.9161000000000004e-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" [ 0 0 0 0.625312 1.98977 3.27129 4.26091 4.9579 5.41188 5.67514 5.82332 5.94955 6.05921 6.15413 6.23582 6.30555 6.36441 6.41332 6.45308 6.4844 6.5079 6.52411 6.53352 6.53657 6.5351 6.53031 6.52145 6.50764 6.48772 6.46019 6.4231 6.37389 6.30902 6.22367 6.11091 5.96064 5.75744 5.47672 5.07674 4.48077 3.53091 -1.04394 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 1.0018602753598079e-19 3.1879630010341797e-19 5.2411844010378595e-19 6.82673044157694e-19 7.9434315337086e-19 8.67078768201192e-19 9.092576702678759e-19 9.329987236304879e-19 9.5322299928147e-19 9.70792468249914e-19 9.860003288598419e-19 9.99088509782988e-19 1.01026048745187e-18 1.019690899119594e-18 1.0275271450364878e-18 1.033897399333272e-18 1.03891541655096e-18 1.04268053164086e-18 1.045277659964574e-18 1.046785308177168e-18 1.047273972050538e-18 1.0470384520853399e-18 1.0462710094776539e-18 1.0448514809799299e-18 1.042638875048376e-18 1.039447339193448e-18 1.0350365469200459e-18 1.02909407378454e-18 1.021209762568626e-18 1.010816442743868e-18 9.971418651726779e-19 9.790757214476939e-19 9.54999813168576e-19 9.224435839656958e-19 8.77467281496048e-19 8.13383420489316e-19 7.178984996328179e-19 5.65714149875694e-19 -1.67257627529796e-19 ] } }