{ "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" [ "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" ] } "a" { "source-value" [ 8.13889 7.593555 7.255578 7.01002 6.817041 6.658048 6.522844 6.405228 6.301147 6.207804 6.123189 6.045809 5.974524 5.908442 5.846857 5.789194 5.734984 5.683836 5.635424 5.589468 5.545733 5.504013 5.46413 5.42593 5.399924 5.372554 5.343669 5.31309 5.280608 5.245969 5.208867 5.168923 5.125667 5.078499 5.026639 4.969053 4.904314 4.830391 4.744242 4.641003 4.512175 4.34074 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.138890000000001e-10 7.593555000000001e-10 7.255578e-10 7.01002e-10 6.817041e-10 6.658048e-10 6.522844e-10 6.405228e-10 6.301147000000001e-10 6.207804e-10 6.123189e-10 6.045809000000001e-10 5.974524e-10 5.908442e-10 5.846857e-10 5.789194e-10 5.734984e-10 5.683836000000001e-10 5.635424e-10 5.589468e-10 5.545733e-10 5.504013e-10 5.46413e-10 5.42593e-10 5.399924000000001e-10 5.372554e-10 5.343669e-10 5.31309e-10 5.280608e-10 5.245969e-10 5.208867e-10 5.168923000000001e-10 5.125667e-10 5.078499e-10 5.026639e-10 4.969052999999999e-10 4.904314000000001e-10 4.830390999999999e-10 4.744242e-10 4.641003000000001e-10 4.512175e-10 4.3407400000000007e-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" [ 0.532448 0.798107 1.03159 1.24558 1.4456 1.63298 1.80974 1.97589 2.13196 2.27827 2.41513 2.54282 2.66099 2.76958 2.86893 2.95887 3.03888 3.1088 3.16846 3.21765 3.25617 3.28381 3.30083 3.30658 3.30368 3.29394 3.27541 3.24549 3.20089 3.13681 3.04668 2.92127 2.74726 2.50484 2.16362 1.6754 0.958825 -0.129726 -1.86708 -4.84429 -10.5184 -23.4405 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.530757373917186e-20 1.2787083762968258e-19 1.652789380251072e-19 1.9956391553360639e-19 2.31610652302848e-19 2.616322378233984e-19 2.899523117726592e-19 3.165724763272512e-19 3.415776468480768e-19 3.6501909298700164e-19 3.869464822192704e-19 4.074046754902656e-19 4.2633759661825924e-19 4.437356325435264e-19 4.596532572711744e-19 4.740632337986496e-19 4.868822489416704e-19 4.980846678743041e-19 5.076432535939968e-19 5.15524360391712e-19 5.216959447350336e-19 5.261243609149248e-19 5.288512655235264e-19 5.297725170804864e-19 5.293078858604544e-19 5.277473658317953e-19 5.2477853255345285e-19 5.199848201040192e-19 5.128391123752512e-19 5.025723645891648e-19 4.881319467058944e-19 4.680390497044416e-19 4.401595743259008e-19 4.0131960868446727e-19 3.466501380295296e-19 2.68428671048832e-19 1.53620699843856e-19 -2.078439643099008e-20 -2.9913919251632643e-19 -7.761408182375232e-19 -1.685233456822272e-18 -3.75558210798624e-18 ] } }