{ "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 ] [ 0.07017 0.384909 0.25 ] [ 0.685261 0.07017 0.75 ] [ 0.384909 0.314739 0.75 ] [ 0.615091 0.685261 0.25 ] [ 0.314739 0.92983 0.25 ] [ 0.92983 0.615091 0.75 ] ] } "species" { "source-value" [ "B" "B" "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" 7.00012047113 "source-unit" "angstrom" } "c" { "source-value" 8.24361758 "source-unit" "angstrom" } }