{ "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 0.216449 ] [ 0 0 0.535497 ] [ 0.666667 0.333333 0.716449 ] [ 0 0 0.035497 ] [ 0.333333 0.666667 0.286657 ] [ 0.666667 0.333333 0.786657 ] [ 0 0 0.965152 ] [ 0 0 0.465152 ] [ 0 0 0.683067 ] [ 0.666667 0.333333 0.931698 ] [ 0.666667 0.333333 0.068952 ] [ 0 0 0.320029 ] [ 0 0 0.183067 ] [ 0.333333 0.666667 0.568952 ] [ 0 0 0.820029 ] [ 0.333333 0.666667 0.431698 ] ] } "species" { "source-value" [ "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.81260007945 "source-unit" "angstrom" } "c" { "source-value" 35.10467138 "source-unit" "angstrom" } }