{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Fmmm" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.75 0.75 ] [ 0.25 0.25 0.75 ] [ 0 0.718228 0 ] [ 0 0.281772 0 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.25 ] [ 0 0.218228 0.5 ] [ 0 0.781772 0.5 ] [ 0.75 0.25 0.75 ] [ 0.75 0.75 0.75 ] [ 0.5 0.218228 0 ] [ 0.5 0.781772 0 ] [ 0.75 0.75 0.25 ] [ 0.75 0.25 0.25 ] [ 0.5 0.718228 0.5 ] [ 0.5 0.281772 0.5 ] [ 0.804238 0 0.929328 ] [ 0.804238 0 0.070672 ] [ 0.195762 0 0.070672 ] [ 0.195762 0 0.929328 ] [ 0 0 0.857941 ] [ 0 0 0.142059 ] [ 0.804238 0.5 0.429328 ] [ 0.804238 0.5 0.570672 ] [ 0.195762 0.5 0.570672 ] [ 0.195762 0.5 0.429328 ] [ 0 0.5 0.357941 ] [ 0 0.5 0.642059 ] [ 0.304238 0.5 0.929328 ] [ 0.304238 0.5 0.070672 ] [ 0.695762 0.5 0.070672 ] [ 0.695762 0.5 0.929328 ] [ 0.5 0.5 0.857941 ] [ 0.5 0.5 0.142059 ] [ 0.304238 0 0.429328 ] [ 0.304238 0 0.570672 ] [ 0.695762 0 0.570672 ] [ 0.695762 0 0.429328 ] [ 0.5 0 0.357941 ] [ 0.5 0 0.642059 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.57471236074 "source-unit" "angstrom" } "b" { "source-value" 10.162244717 "source-unit" "angstrom" } "c" { "source-value" 15.3355545338 "source-unit" "angstrom" } }