{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3" } "basis-atom-coordinates" { "source-value" [ [ 0.2323 0.356073 0.75048 ] [ 0.356073 0.123774 0.25048 ] [ 0.876226 0.2323 0.25048 ] [ 0.123774 0.7677 0.75048 ] [ 0.7677 0.643927 0.25048 ] [ 0.643927 0.876226 0.75048 ] [ 0 0 0.773886 ] [ 0 0 0.273886 ] [ 0.333333 0.666667 0.164416 ] [ 0.666667 0.333333 0.664416 ] [ 0.250305 0.086037 0.762478 ] [ 0.524341 0.412065 0.522363 ] [ 0.412065 0.887724 0.022363 ] [ 0.112276 0.524341 0.022363 ] [ 0.887724 0.475659 0.522363 ] [ 0.086037 0.835731 0.262478 ] [ 0.164269 0.250305 0.262478 ] [ 0.749695 0.913963 0.262478 ] [ 0.587935 0.112276 0.522363 ] [ 0.835731 0.749695 0.762478 ] [ 0.475659 0.587935 0.022363 ] [ 0.666667 0.333333 0.029801 ] [ 0.333333 0.666667 0.529801 ] [ 0.913963 0.164269 0.762478 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Cu" "Cu" "Si" "Si" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.2084000371 "source-unit" "angstrom" } "c" { "source-value" 5.78174767 "source-unit" "angstrom" } }