{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mbm" } "basis-atom-coordinates" { "source-value" [ [ 0.186874 0.686874 0 ] [ 0.686874 0.813126 0 ] [ 0.313126 0.186874 0 ] [ 0.813126 0.313126 0 ] [ 0.323861 0.461386 0.5 ] [ 0.676139 0.538614 0.5 ] [ 0.538614 0.323861 0.5 ] [ 0.461386 0.676139 0.5 ] [ 0 0 0.201933 ] [ 0.5 0.5 0.798067 ] [ 0 0 0.798067 ] [ 0.5 0.5 0.201933 ] [ 0.588005 0.088005 0.5 ] [ 0.088005 0.411995 0.5 ] [ 0.911995 0.588005 0.5 ] [ 0.411995 0.911995 0.5 ] [ 0.038614 0.176139 0.5 ] [ 0.176139 0.961386 0.5 ] [ 0.823861 0.038614 0.5 ] [ 0.961386 0.823861 0.5 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.17377415 "source-unit" "angstrom" } "c" { "source-value" 4.07463064 "source-unit" "angstrom" } }