{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.629634 ] [ 0.333333 0.666667 0.129634 ] [ 0.353392 0.309121 0.505455 ] [ 0.646608 0.690879 0.005455 ] [ 0.309121 0.955729 0.005455 ] [ 0.955729 0.646608 0.505455 ] [ 0.690879 0.044271 0.505455 ] [ 0.044271 0.353392 0.005455 ] ] } "species" { "source-value" [ "P" "P" "I" "I" "I" "I" "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" 7.46484375191 "source-unit" "angstrom" } "c" { "source-value" 8.43279719 "source-unit" "angstrom" } }