{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.1879 0.5 ] [ 0.5 0.8121 0.5 ] [ 0.5 0.5 0 ] [ 0 0.6879 0.5 ] [ 0 0.3121 0.5 ] [ 0.5 0.095244 0 ] [ 0.5 0.904756 0 ] [ 0 0.775674 0 ] [ 0 0.224326 0 ] [ 0 0.902862 0.5 ] [ 0 0.097138 0.5 ] [ 0.5 0.045265 0.5 ] [ 0.5 0.954735 0.5 ] [ 0 0.595244 0 ] [ 0 0.404756 0 ] [ 0.5 0.275674 0 ] [ 0.5 0.724326 0 ] [ 0.5 0.402862 0.5 ] [ 0.5 0.597138 0.5 ] [ 0 0.545265 0.5 ] [ 0 0.454735 0.5 ] [ 0 0.866005 0 ] [ 0 0.133995 0 ] [ 0.5 0.366005 0 ] [ 0.5 0.633995 0 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "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" 4.09328941938 "source-unit" "angstrom" } "b" { "source-value" 26.016362252 "source-unit" "angstrom" } "c" { "source-value" 4.19367943 "source-unit" "angstrom" } }