{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3mc" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.374472 ] [ 0.666667 0.333333 0.874472 ] [ 0.333333 0.666667 0.000528 ] [ 0.666667 0.333333 0.500528 ] ] } "species" { "source-value" [ "Cu" "Cu" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.25868228394 "source-unit" "angstrom" } "c" { "source-value" 7.00732896 "source-unit" "angstrom" } }