{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.847349 0.25 ] [ 0 0.152651 0.75 ] [ 0.5 0.347349 0.25 ] [ 0.5 0.652651 0.75 ] [ 0.5 0.068432 0.25 ] [ 0.5 0.931568 0.75 ] [ 0 0.568432 0.25 ] [ 0 0.431568 0.75 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "Al" "Al" "Al" "Al" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.85874235446 "source-unit" "angstrom" } "b" { "source-value" 11.6230164607 "source-unit" "angstrom" } "c" { "source-value" 4.41163606 "source-unit" "angstrom" } }