{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/m" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.25 ] [ 0.666667 0.333333 0.75 ] [ 0.046627 0.378005 0.25 ] [ 0.668622 0.046627 0.75 ] [ 0.378005 0.331378 0.75 ] [ 0.621995 0.668622 0.25 ] [ 0.331378 0.953373 0.25 ] [ 0.953373 0.621995 0.75 ] ] } "species" { "source-value" [ "B" "B" "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" 7.40242957509 "source-unit" "angstrom" } "c" { "source-value" 8.83471105 "source-unit" "angstrom" } }