{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.863655 ] [ 0 0 0 ] [ 0.5 0.5 0.136345 ] [ 0 0 0.363655 ] [ 0.5 0.5 0.5 ] [ 0 0 0.636345 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.5 0 0.822659 ] [ 0.5 0 0.177341 ] [ 0 0.5 0.322659 ] [ 0 0.5 0.677341 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Si" "Si" "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" 4.39859576451 "source-unit" "angstrom" } "b" { "source-value" 5.92055016044 "source-unit" "angstrom" } "c" { "source-value" 13.6922014505 "source-unit" "angstrom" } }