{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnn" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.27641 0.326833 ] [ 0 0.72359 0.673167 ] [ 0.5 0.77641 0.173167 ] [ 0.5 0.22359 0.826833 ] ] } "species" { "source-value" [ "Ca" "Ca" "Br" "Br" "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" 4.38358884 "source-unit" "angstrom" } "b" { "source-value" 6.70112517 "source-unit" "angstrom" } "c" { "source-value" 7.00328092 "source-unit" "angstrom" } }