{ "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 0 0 ] [ 0 0 0.5 ] [ 0.333333 0.666667 0.736144 ] [ 0.666667 0.333333 0.263856 ] [ 0.333333 0.666667 0.971909 ] [ 0.666667 0.333333 0.028091 ] [ 0.677774 0.838887 0.662032 ] [ 0.161113 0.838887 0.662032 ] [ 0.838887 0.677774 0.337968 ] [ 0.322226 0.161113 0.337968 ] [ 0.161113 0.322226 0.662032 ] [ 0.838887 0.161113 0.337968 ] ] } "species" { "source-value" [ "K" "Fe" "Mo" "Mo" "O" "O" "O" "O" "O" "O" "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" 5.77998321915 "source-unit" "angstrom" } "c" { "source-value" 7.42429211 "source-unit" "angstrom" } }