{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0.502818 0 0.75 ] [ 0.497182 0 0.25 ] [ 0.002818 0.5 0.75 ] [ 0.997182 0.5 0.25 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.755972 0.75181 0.75 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.244028 0.24819 0.25 ] [ 0.244028 0.75181 0.25 ] [ 0.755972 0.24819 0.75 ] [ 0.255972 0.25181 0.75 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0.744028 0.74819 0.25 ] [ 0.744028 0.25181 0.25 ] [ 0.255972 0.74819 0.75 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Bi" "Bi" "Bi" "Bi" "O" "O" "O" "O" "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" 5.57676546678 "source-unit" "angstrom" } "b" { "source-value" 5.57982248023 "source-unit" "angstrom" } "c" { "source-value" 7.89202089 "source-unit" "angstrom" } }