{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/m" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.25 ] [ 0.666667 0.333333 0.75 ] [ 0.286385 0.138009 0.25 ] [ 0.851623 0.713615 0.25 ] [ 0.861991 0.148377 0.25 ] [ 0.713615 0.861991 0.75 ] [ 0.148377 0.286385 0.75 ] [ 0.138009 0.851623 0.75 ] [ 0.395546 0.305795 0.25 ] [ 0.910249 0.604454 0.25 ] [ 0.694205 0.089751 0.25 ] [ 0.604454 0.694205 0.75 ] [ 0.089751 0.395546 0.75 ] [ 0.305795 0.910249 0.75 ] ] } "species" { "source-value" [ "Ce" "Ce" "H" "H" "H" "H" "H" "H" "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" 6.60250881516 "source-unit" "angstrom" } "c" { "source-value" 3.73539964 "source-unit" "angstrom" } }