{ "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 0.114482 0.75 ] [ 0 0.885518 0.25 ] [ 0.5 0.614482 0.75 ] [ 0.5 0.385518 0.25 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.077383 0.25 ] [ 0 0.922617 0.75 ] [ 0.5 0.189193 0.052464 ] [ 0.5 0.810807 0.947536 ] [ 0.5 0.810807 0.552464 ] [ 0.5 0.189193 0.447536 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0.577383 0.25 ] [ 0.5 0.422617 0.75 ] [ 0 0.689193 0.052464 ] [ 0 0.310807 0.947536 ] [ 0 0.310807 0.552464 ] [ 0 0.689193 0.447536 ] [ 0 0.773993 0.75 ] [ 0 0.226007 0.25 ] [ 0.5 0.273993 0.75 ] [ 0.5 0.726007 0.25 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Ni" "Ni" "Ni" "Ni" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.12011509637 "source-unit" "angstrom" } "b" { "source-value" 15.5961086736 "source-unit" "angstrom" } "c" { "source-value" 6.59465248 "source-unit" "angstrom" } }