{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "F-43m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0.895584 0.895584 0.104416 ] [ 0.104416 0.104416 0.104416 ] [ 0.895584 0.104416 0.895584 ] [ 0.104416 0.895584 0.895584 ] [ 0.895584 0.395584 0.604416 ] [ 0.104416 0.604416 0.604416 ] [ 0.895584 0.604416 0.395584 ] [ 0.104416 0.395584 0.395584 ] [ 0.395584 0.895584 0.604416 ] [ 0.604416 0.104416 0.604416 ] [ 0.395584 0.104416 0.395584 ] [ 0.604416 0.895584 0.395584 ] [ 0.395584 0.395584 0.104416 ] [ 0.604416 0.604416 0.104416 ] [ 0.395584 0.604416 0.895584 ] [ 0.604416 0.395584 0.895584 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cl" "Cl" "Cl" "Cl" "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" 8.10560625221 "source-unit" "angstrom" } }