{ "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" [ [ 0.666667 0.333333 0.75 ] [ 0.333333 0.666667 0.25 ] [ 0.61088 0.697828 0.75 ] [ 0.913053 0.61088 0.25 ] [ 0.38912 0.302172 0.25 ] [ 0.086947 0.38912 0.75 ] [ 0.302172 0.913053 0.75 ] [ 0.697828 0.086947 0.25 ] ] } "species" { "source-value" [ "La" "La" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.12705955049 "source-unit" "angstrom" } "c" { "source-value" 4.51221682 "source-unit" "angstrom" } }