{ "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" [ [ 0.5 0.101019 0.25 ] [ 0.5 0.898981 0.75 ] [ 0 0.601019 0.25 ] [ 0 0.398981 0.75 ] [ 0 0.077683 0.75 ] [ 0 0.922317 0.25 ] [ 0.5 0.577683 0.75 ] [ 0.5 0.422317 0.25 ] [ 0.5 0.754699 0.25 ] [ 0.5 0.245301 0.75 ] [ 0 0.254699 0.25 ] [ 0 0.745301 0.75 ] [ 0.233934 0 0 ] [ 0.766066 0 0.5 ] [ 0.766066 0 0 ] [ 0.233934 0 0.5 ] [ 0.733934 0.5 0 ] [ 0.266066 0.5 0.5 ] [ 0.266066 0.5 0 ] [ 0.733934 0.5 0.5 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Bi" "Bi" "Bi" "Bi" "Br" "Br" "Br" "Br" "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" 5.85980666466 "source-unit" "angstrom" } "b" { "source-value" 13.1762788151 "source-unit" "angstrom" } "c" { "source-value" 5.73557009 "source-unit" "angstrom" } }