{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.666667 0.333333 0.5 ] [ 0.333333 0.666667 0 ] [ 0.333333 0.666667 0.5 ] [ 0.666667 0.333333 0 ] [ 0 0 0.5 ] [ 0.751081 0 0.75 ] [ 0 0.751081 0.75 ] [ 0 0.248919 0.25 ] [ 0.248919 0.248919 0.75 ] [ 0.248919 0 0.25 ] [ 0.751081 0.751081 0.25 ] [ 0.771276 0.771276 0.75 ] [ 0.228724 0 0.75 ] [ 0 0.228724 0.75 ] [ 0.228724 0.228724 0.25 ] [ 0.771276 0 0.25 ] [ 0 0.771276 0.25 ] [ 0.369301 0 0.397719 ] [ 0.369301 0.369301 0.897719 ] [ 0 0.369301 0.397719 ] [ 0.630699 0.630699 0.397719 ] [ 0.369301 0.369301 0.602281 ] [ 0 0.630699 0.602281 ] [ 0.630699 0.630699 0.102281 ] [ 0 0.630699 0.897719 ] [ 0 0.369301 0.102281 ] [ 0.630699 0 0.897719 ] [ 0.369301 0 0.102281 ] [ 0.630699 0 0.602281 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Si" "Si" "Si" "Si" "Si" "Si" "N" "N" "N" "N" "N" "N" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.07620883052 "source-unit" "angstrom" } "c" { "source-value" 9.73173861098 "source-unit" "angstrom" } }