{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.303778 0 0 ] [ 0.696222 0 0 ] [ 0 0.807122 0.5 ] [ 0 0.192878 0.5 ] [ 0.803778 0.5 0 ] [ 0.196222 0.5 0 ] [ 0.5 0.307122 0.5 ] [ 0.5 0.692878 0.5 ] ] } "species" { "source-value" [ "Fe" "Fe" "Sb" "Sb" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.53700939 "source-unit" "angstrom" } "b" { "source-value" 6.78177296 "source-unit" "angstrom" } "c" { "source-value" 3.12444413 "source-unit" "angstrom" } }