{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-31c" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.25 ] [ 0 0 0.75 ] [ 0.333333 0.666667 0.25 ] [ 0.666667 0.333333 0.75 ] [ 0.666667 0.333333 0.326309 ] [ 0.666667 0.333333 0.173691 ] [ 0.333333 0.666667 0.673691 ] [ 0.333333 0.666667 0.826309 ] [ 0.965816 0.66198 0.134724 ] [ 0.33802 0.034184 0.365276 ] [ 0.965816 0.303836 0.365276 ] [ 0.696164 0.66198 0.365276 ] [ 0.303836 0.965816 0.865276 ] [ 0.66198 0.696164 0.865276 ] [ 0.034184 0.33802 0.865276 ] [ 0.66198 0.965816 0.634724 ] [ 0.034184 0.696164 0.634724 ] [ 0.303836 0.33802 0.634724 ] [ 0.696164 0.034184 0.134724 ] [ 0.33802 0.303836 0.134724 ] ] } "species" { "source-value" [ "Sc" "Sc" "Ag" "Ag" "P" "P" "P" "P" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "a" { "source-value" 6.22209125 "source-unit" "angstrom" } "c" { "source-value" 14.57894319 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 5.1325630455 "source-unit" "eV" } }