{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.178946 ] [ 0.5 0.5 0.821054 ] [ 0 0 0.678946 ] [ 0 0 0.321054 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0 0 0.8771 ] [ 0 0 0.1229 ] [ 0.5 0.5 0.3771 ] [ 0.5 0.5 0.6229 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Sc" "Sc" "Sc" "Sc" "Si" "Si" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.24015442822 "source-unit" "angstrom" } "c" { "source-value" 15.878991151 "source-unit" "angstrom" } }