{ "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" [ [ 0.333333 0.666667 0.75 ] [ 0.666667 0.333333 0.25 ] [ 0.333333 0.666667 0.531528 ] [ 0.666667 0.333333 0.031528 ] [ 0.666667 0.333333 0.468472 ] [ 0.333333 0.666667 0.968472 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0 0 0.25 ] [ 0 0 0.75 ] [ 0.333333 0.666667 0.25 ] [ 0.666667 0.333333 0.75 ] [ 0.167923 0.335846 0.122505 ] [ 0.832077 0.167923 0.622505 ] [ 0.335846 0.167923 0.622505 ] [ 0.664154 0.832077 0.122505 ] [ 0.167923 0.832077 0.122505 ] [ 0.832077 0.664154 0.877495 ] [ 0.832077 0.167923 0.877495 ] [ 0.832077 0.664154 0.622505 ] [ 0.335846 0.167923 0.877495 ] [ 0.664154 0.832077 0.377495 ] [ 0.167923 0.335846 0.377495 ] [ 0.167923 0.832077 0.377495 ] ] } "species" { "source-value" [ "Ce" "Ce" "Mg" "Mg" "Mg" "Mg" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "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" 5.04188323809 "source-unit" "angstrom" } "c" { "source-value" 16.14121923 "source-unit" "angstrom" } }