{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P3m1" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.999564 ] [ 0.666667 0.333333 0.534752 ] [ 0.333333 0.666667 0.457693 ] [ 0.666667 0.333333 0.86509 ] ] } "species" { "source-value" [ "Ba" "Al" "Si" "H" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.33422715757 "source-unit" "angstrom" } "c" { "source-value" 5.26255206 "source-unit" "angstrom" } }