{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imma" } "basis-atom-coordinates" { "source-value" [ [ 0 0.75 0.135312 ] [ 0 0 0.5 ] [ 0.5 0 0 ] [ 0 0.25 0.864688 ] [ 0.5 0.25 0.635312 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0.75 0.364688 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.75 ] [ 0.75 0.25 0.25 ] [ 0.5 0.004546 0.768033 ] [ 0.734894 0.75 0.007318 ] [ 0 0.995454 0.268033 ] [ 0.265106 0.75 0.007318 ] [ 0.734894 0.25 0.992682 ] [ 0 0.004546 0.731967 ] [ 0.265106 0.25 0.992682 ] [ 0.5 0.995454 0.231967 ] [ 0 0.504546 0.268033 ] [ 0.234894 0.25 0.507318 ] [ 0.5 0.495454 0.768033 ] [ 0.765106 0.25 0.507318 ] [ 0.234894 0.75 0.492682 ] [ 0.5 0.504546 0.231967 ] [ 0.765106 0.75 0.492682 ] [ 0 0.495454 0.731967 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Zn" "Zn" "Zn" "Zn" "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" 5.71031848652 "source-unit" "angstrom" } "b" { "source-value" 5.83350141943 "source-unit" "angstrom" } "c" { "source-value" 8.22719078431 "source-unit" "angstrom" } }