{ "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 0.891779 0.25 ] [ 0 0.108221 0.75 ] [ 0.5 0.391779 0.25 ] [ 0.5 0.608221 0.75 ] [ 0.5 0.181349 0.25 ] [ 0.5 0.818651 0.75 ] [ 0 0.681349 0.25 ] [ 0 0.318651 0.75 ] [ 0.5 0.95812 0.75 ] [ 0.5 0.04188 0.25 ] [ 0 0.750238 0.75 ] [ 0 0.249762 0.25 ] [ 0 0.45812 0.75 ] [ 0 0.54188 0.25 ] [ 0.5 0.250238 0.75 ] [ 0.5 0.749762 0.25 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ni" "Ni" "Ni" "Ni" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.22345228113 "source-unit" "angstrom" } "b" { "source-value" 16.6112154951 "source-unit" "angstrom" } "c" { "source-value" 4.22605239 "source-unit" "angstrom" } }