{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-31m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.333333 0.666667 0.5 ] [ 0.666667 0.333333 0.5 ] [ 0.345888 0.345888 0.741848 ] [ 0.654112 0.654112 0.258152 ] [ 0.654112 0 0.741848 ] [ 0.345888 0 0.258152 ] [ 0 0.345888 0.258152 ] [ 0 0.654112 0.741848 ] ] } "species" { "source-value" [ "Ba" "Sr" "Sr" "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" 8.3710099 "source-unit" "angstrom" } "c" { "source-value" 7.640385 "source-unit" "angstrom" } }