{ "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" [ [ 0.855083 0.337743 0.75 ] [ 0.144917 0.337743 0.25 ] [ 0.144917 0.662257 0.25 ] [ 0.855083 0.662257 0.75 ] [ 0.355083 0.837743 0.75 ] [ 0.644917 0.837743 0.25 ] [ 0.644917 0.162257 0.25 ] [ 0.355083 0.162257 0.75 ] [ 0.082919 0 0.25 ] [ 0.917081 0 0.75 ] [ 0.582919 0.5 0.25 ] [ 0.417081 0.5 0.75 ] [ 0 0.118431 0 ] [ 0 0.118431 0.5 ] [ 0.66758 0 0.75 ] [ 0.33242 0 0.25 ] [ 0 0.881569 0 ] [ 0 0.881569 0.5 ] [ 0.5 0.618431 0 ] [ 0.5 0.618431 0.5 ] [ 0.16758 0.5 0.75 ] [ 0.83242 0.5 0.25 ] [ 0.5 0.381569 0 ] [ 0.5 0.381569 0.5 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Sn" "Sn" "Sn" "Sn" "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" 7.88197922 "source-unit" "angstrom" } "b" { "source-value" 11.42248514 "source-unit" "angstrom" } "c" { "source-value" 5.92843095 "source-unit" "angstrom" } }