{ "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" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 9.55427 8.914098 8.517345 8.229083 8.002543 7.815901 7.657184 7.519114 7.396932 7.287356 7.188026 7.09719 7.013507 6.935934 6.863638 6.795947 6.73231 6.672268 6.615436 6.561489 6.510147 6.461172 6.414353 6.36951 6.338982 6.306852 6.272944 6.237048 6.198918 6.158255 6.114701 6.067811 6.017032 5.961662 5.900785 5.833183 5.757187 5.670409 5.569279 5.448088 5.296857 5.09561 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.554270000000002e-10 8.914098e-10 8.517345000000001e-10 8.229083e-10 8.002542999999999e-10 7.815901e-10 7.657184e-10 7.519114000000001e-10 7.396931999999999e-10 7.287356000000001e-10 7.188026e-10 7.097190000000001e-10 7.013507e-10 6.935934e-10 6.863638e-10 6.795947e-10 6.732310000000001e-10 6.672268e-10 6.615436e-10 6.561489e-10 6.510147000000001e-10 6.461172000000001e-10 6.414353000000001e-10 6.369510000000001e-10 6.338982e-10 6.306852e-10 6.272944e-10 6.237048e-10 6.198918e-10 6.158254999999999e-10 6.114701e-10 6.067811e-10 6.017032000000001e-10 5.961661999999999e-10 5.900785e-10 5.833183e-10 5.757187000000001e-10 5.670409e-10 5.569279e-10 5.448088e-10 5.296857e-10 5.09561e-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" [ 1.25967 1.46733 1.61299 1.72546 1.81646 1.89212 1.95612 2.01089 2.05811 2.09901 2.13453 2.1654 2.19218 2.21536 2.23531 2.25236 2.26679 2.27882 2.28866 2.29647 2.30239 2.3065 2.30892 2.3097 2.30932 2.30806 2.30572 2.30205 2.2967 2.28924 2.27911 2.26551 2.24737 2.22314 2.19067 2.14671 2.08611 2.00045 1.87499 1.68155 1.35937 0.75068 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.0182138239231363e-19 2.3509218209984643e-19 2.584294867584192e-19 2.764491672125568e-19 2.910289744618368e-19 3.0315104277480964e-19 3.1340497314792963e-19 3.221800945000512e-19 3.2974557250346884e-19 3.362984748825408e-19 3.419894062396224e-19 3.4693532546803204e-19 3.5122595445853443e-19 3.549397998655488e-19 3.5813614222404484e-19 3.608678533625088e-19 3.631797942263232e-19 3.651072127011456e-19 3.6668375449601285e-19 3.679350544368576e-19 3.688835429963712e-19 3.6954203758752004e-19 3.6992976432975365e-19 3.70054734106176e-19 3.699938513945856e-19 3.6979197714036476e-19 3.694170678110976e-19 3.68829068991264e-19 3.67971904499136e-19 3.6677668074001923e-19 3.6515367582314883e-19 3.6297471561886083e-19 3.600683672287296e-19 3.561862932765312e-19 3.509840257887936e-19 3.439408573637568e-19 3.3423166704170883e-19 3.20507422107936e-19 3.004065142233792e-19 2.69414009670624e-19 2.177950833016896e-19 1.2027219457021442e-19 ] } }