{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmmn" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.123484 ] [ 0 0.5 0.876516 ] [ 0.5 0.5 0.04889 ] [ 0 0 0.95111 ] [ 0.5 0.5 0.474534 ] [ 0 0 0.525466 ] ] } "species" { "source-value" [ "Y" "Y" "C" "C" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.57582757468 "source-unit" "angstrom" } "b" { "source-value" 5.01518902163 "source-unit" "angstrom" } "c" { "source-value" 5.38509204026 "source-unit" "angstrom" } }