{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-42_1m" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.821567 0.678433 0.474238 ] [ 0.321567 0.821567 0.525762 ] [ 0 0.5 0.210461 ] [ 0.5 0 0.789539 ] [ 0.178433 0.321567 0.474238 ] [ 0.678433 0.178433 0.525762 ] ] } "species" { "source-value" [ "Ba" "Ba" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.98366013 "source-unit" "angstrom" } "c" { "source-value" 4.23423884 "source-unit" "angstrom" } }