{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0 0.5 ] [ 0.666667 0.333333 0.75 ] [ 0.333333 0.666667 0.25 ] [ 0.333333 0.666667 0.75 ] [ 0.666667 0.333333 0.25 ] [ 0.333333 0.666667 0.056605 ] [ 0.666667 0.333333 0.943395 ] [ 0.333333 0.666667 0.443395 ] [ 0.666667 0.333333 0.556605 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ni" "Ni" "Sn" "Sn" "H" "H" "H" "H" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 4.36787781719 "source-unit" "angstrom" } "c" { "source-value" 8.36400853156 "source-unit" "angstrom" } }