{ "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" [ "Al" "Al" ] } "a" { "source-value" [ 4.84302 4.51852 4.317407 4.171289 4.056457 3.961849 3.881396 3.811409 3.749475 3.693932 3.643582 3.597537 3.555119 3.515798 3.479151 3.444839 3.412582 3.382146 3.353339 3.325993 3.299968 3.275143 3.251411 3.22868 3.213205 3.196919 3.179731 3.161535 3.142207 3.121595 3.099517 3.075749 3.050009 3.021942 2.991083 2.956816 2.918293 2.874306 2.823043 2.761611 2.684952 2.58294 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.84302e-10 4.5185199999999996e-10 4.317407e-10 4.171289e-10 4.056457e-10 3.9618490000000003e-10 3.8813960000000004e-10 3.811409e-10 3.749475e-10 3.6939320000000004e-10 3.643582e-10 3.597537e-10 3.555119e-10 3.5157980000000003e-10 3.479151e-10 3.444839e-10 3.412582e-10 3.3821460000000003e-10 3.353339e-10 3.325993e-10 3.299968e-10 3.275143e-10 3.251411e-10 3.2286800000000003e-10 3.213205e-10 3.196919e-10 3.179731e-10 3.161535e-10 3.142207e-10 3.1215950000000003e-10 3.099517e-10 3.075749e-10 3.050009e-10 3.021942e-10 2.9910830000000004e-10 2.956816e-10 2.918293e-10 2.874306e-10 2.823043e-10 2.761611e-10 2.684952e-10 2.58294e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0.202469 0.966966 1.57827 1.95303 2.15136 2.29876 2.43871 2.57022 2.69077 2.79821 2.89144 2.97042 3.03583 3.08886 3.13089 3.16517 3.19378 3.21714 3.23562 3.24954 3.25918 3.2648 3.26662 3.26574 3.26285 3.25751 3.24914 3.23704 3.22027 3.1976 3.1674 3.12746 3.07466 3.00459 2.91071 2.78303 2.60544 2.3258 1.7741 0.760855 -1.02929 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 3.24391100909346e-20 1.549250331072444e-19 2.52866731614318e-19 3.12909903150102e-19 3.44685872332224e-19 3.68301955917384e-19 3.9072441791021394e-19 4.11794642823948e-19 4.31108882146818e-19 4.48322667902514e-19 4.632597606612959e-19 4.759137517166279e-19 4.86393589079622e-19 4.94889931769724e-19 5.016238801624259e-19 5.07116141663778e-19 5.116999690136519e-19 5.1544265363067595e-19 5.18403476050308e-19 5.20633705924836e-19 5.22178204200012e-19 5.2307862746832e-19 5.23370223615708e-19 5.23229232071916e-19 5.227662030246899e-19 5.21910640702134e-19 5.205696188594759e-19 5.18630985132336e-19 5.15944134917118e-19 5.1231200048784e-19 5.0747342705316e-19 5.01074333576964e-19 4.92614840949444e-19 4.813883892750059e-19 4.663471550350139e-19 4.45890563772102e-19 4.17437508928896e-19 3.7263424153571997e-19 2.8424215663794e-19 1.2190241028620697e-19 -1.64910438760986e-19 ] } }