{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0 0.5 ] [ 0 0 0.257532 ] [ 0 0 0.742468 ] [ 0.333333 0.666667 0 ] [ 0.666667 0.333333 0 ] [ 0.5 0 0.156599 ] [ 0.5 0.5 0.156599 ] [ 0 0.5 0.156599 ] [ 0.5 0 0.843401 ] [ 0.5 0.5 0.843401 ] [ 0 0.5 0.843401 ] [ 0.5 0 0.38386 ] [ 0.5 0.5 0.38386 ] [ 0 0.5 0.38386 ] [ 0.5 0 0.61614 ] [ 0.5 0.5 0.61614 ] [ 0 0.5 0.61614 ] [ 0.333333 0.666667 0.5 ] [ 0.666667 0.333333 0.5 ] [ 0.333333 0.666667 0.268535 ] [ 0.666667 0.333333 0.268535 ] [ 0.666667 0.333333 0.731465 ] [ 0.333333 0.666667 0.731465 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "B" "B" "B" "B" "B" "B" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.0219471567 "source-unit" "angstrom" } "c" { "source-value" 12.89092386 "source-unit" "angstrom" } }