{ "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 ] "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 ] } "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 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.0182138405507799e-19 2.35092184036722e-19 2.58429488887566e-19 2.7644916949016397e-19 2.9102897685956396e-19 3.03151045272408e-19 3.13404975730008e-19 3.2218009715442597e-19 3.29745575220174e-19 3.3629847765323394e-19 3.4198940905720194e-19 3.4693532832636e-19 3.5122595735221196e-19 3.5493980278982397e-19 3.58136145174654e-19 3.6086785633562395e-19 3.6317979721848594e-19 3.65107215709188e-19 3.66683757517044e-19 3.6793505746819795e-19 3.68883546035526e-19 3.695420406321e-19 3.69929767377528e-19 ] } }