{ "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 ] [ 0.068786 0.393166 0.25 ] [ 0.67562 0.068786 0.75 ] [ 0.393166 0.32438 0.75 ] [ 0.606834 0.67562 0.25 ] [ 0.32438 0.931214 0.25 ] [ 0.931214 0.606834 0.75 ] ] } "species" { "source-value" [ "B" "B" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.47779052117 "source-unit" "angstrom" } "c" { "source-value" 7.65588168 "source-unit" "angstrom" } }