{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-3m1" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.413367 ] [ 0.666667 0.333333 0.586633 ] [ 0.333333 0.666667 0.062097 ] [ 0.666667 0.333333 0.937903 ] [ 0 0 0.220303 ] [ 0 0 0.779697 ] [ 0.666667 0.333333 0.262118 ] [ 0.333333 0.666667 0.737882 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.05478614 "source-unit" "angstrom" } "c" { "source-value" 7.15122427 "source-unit" "angstrom" } }