{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0.670293 0 0.25 ] [ 0.329707 0 0.75 ] [ 0.329707 0.329707 0.25 ] [ 0 0.329707 0.75 ] [ 0 0.670293 0.25 ] [ 0.670293 0.670293 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.1268452123 "source-unit" "angstrom" } "c" { "source-value" 4.911188145 "source-unit" "angstrom" } }