{ "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" [ [ 0.5 0.756535 0.25 ] [ 0.5 0.243465 0.75 ] [ 0 0.256535 0.25 ] [ 0 0.743465 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.042712 0.25 ] [ 0.5 0.957288 0.75 ] [ 0 0.542712 0.25 ] [ 0 0.457288 0.75 ] [ 0 0.061154 0.75 ] [ 0.5 0.121129 0.45251 ] [ 0.5 0.121129 0.04749 ] [ 0 0.938846 0.25 ] [ 0.5 0.878871 0.95251 ] [ 0.5 0.878871 0.54749 ] [ 0.5 0.561154 0.75 ] [ 0 0.621129 0.45251 ] [ 0 0.621129 0.04749 ] [ 0.5 0.438846 0.25 ] [ 0 0.378871 0.95251 ] [ 0 0.378871 0.54749 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Ce" "Ce" "Ce" "Ce" "Hg" "Hg" "Hg" "Hg" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.46575635 "source-unit" "angstrom" } "b" { "source-value" 16.21990068 "source-unit" "angstrom" } "c" { "source-value" 11.44475632 "source-unit" "angstrom" } }