{ "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 0.7418 0 ] [ 0 0.2582 0 ] [ 0 0 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.2418 0 ] [ 0.5 0.7582 0 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.5 ] [ 0.25 0.75 0.5 ] [ 0.25 0.25 0.5 ] [ 0.254727 0 0 ] [ 0.745273 0 0 ] [ 0.75 0.25 0.5 ] [ 0.75 0.75 0.5 ] [ 0.754727 0.5 0 ] [ 0.245273 0.5 0 ] [ 0.77952 0.121242 0.240151 ] [ 0.22048 0.878758 0.240151 ] [ 0.77952 0.878758 0.759849 ] [ 0.22048 0.121242 0.759849 ] [ 0.22048 0.878758 0.759849 ] [ 0.77952 0.121242 0.759849 ] [ 0.22048 0.121242 0.240151 ] [ 0.77952 0.878758 0.240151 ] [ 0.5 0 0 ] [ 0 0.72638 0.5 ] [ 0 0.27362 0.5 ] [ 0.27952 0.621242 0.240151 ] [ 0.72048 0.378758 0.240151 ] [ 0.27952 0.378758 0.759849 ] [ 0.72048 0.621242 0.759849 ] [ 0.72048 0.378758 0.759849 ] [ 0.27952 0.621242 0.759849 ] [ 0.72048 0.621242 0.240151 ] [ 0.27952 0.378758 0.240151 ] [ 0 0.5 0 ] [ 0.5 0.22638 0.5 ] [ 0.5 0.77362 0.5 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 7.82413377128 "source-unit" "angstrom" } "b" { "source-value" 11.1338740507 "source-unit" "angstrom" } "c" { "source-value" 5.54389733 "source-unit" "angstrom" } }