{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.399685 ] [ 0 0 0.25 ] [ 0 0 0.75 ] [ 0.666667 0.333333 0.899685 ] [ 0.666667 0.333333 0.600315 ] [ 0.333333 0.666667 0.100315 ] [ 0.333333 0.666667 0.75 ] [ 0.666667 0.333333 0.25 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.515632 0.484368 0.25 ] [ 0.968736 0.484368 0.25 ] [ 0.484368 0.968736 0.75 ] [ 0.515632 0.031264 0.25 ] [ 0.031264 0.515632 0.75 ] [ 0.484368 0.515632 0.75 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "B" "B" "P" "P" "O" "O" "O" "O" "O" "O" ] } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 5.3085415 "source-unit" "angstrom" } "c" { "source-value" 12.78243687 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.3316614825 "source-unit" "eV" } }