{ "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 0.750844 0.75 ] [ 0 0.249156 0.25 ] [ 0.5 0.250844 0.75 ] [ 0.5 0.749156 0.25 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.970337 0.75 ] [ 0.5 0.029663 0.25 ] [ 0 0.470337 0.75 ] [ 0 0.529663 0.25 ] [ 0 0.921974 0.25 ] [ 0.5 0.869407 0.93991 ] [ 0 0.078026 0.75 ] [ 0.5 0.869407 0.56009 ] [ 0.5 0.130593 0.06009 ] [ 0.5 0.130593 0.43991 ] [ 0.5 0.421974 0.25 ] [ 0 0.369407 0.93991 ] [ 0.5 0.578026 0.75 ] [ 0 0.369407 0.56009 ] [ 0 0.630593 0.06009 ] [ 0 0.630593 0.43991 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Zr" "Zr" "Zr" "Zr" "Cu" "Cu" "Cu" "Cu" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.71164712 "source-unit" "angstrom" } "b" { "source-value" 13.10852142 "source-unit" "angstrom" } "c" { "source-value" 9.80787966 "source-unit" "angstrom" } }