{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3mc" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.505882 ] [ 0.333333 0.666667 0.005882 ] [ 0.666667 0.333333 0.057793 ] [ 0.333333 0.666667 0.557793 ] [ 0.666667 0.333333 0.876311 ] [ 0.333333 0.666667 0.376311 ] [ 0.825323 0.174677 0.11833 ] [ 0.825323 0.650646 0.11833 ] [ 0.349354 0.174677 0.11833 ] [ 0.174677 0.825323 0.61833 ] [ 0.174677 0.349354 0.61833 ] [ 0.650646 0.825323 0.61833 ] ] } "species" { "source-value" [ "Li" "Li" "B" "B" "H" "H" "H" "H" "H" "H" "H" "H" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.18000321114 "source-unit" "angstrom" } "c" { "source-value" 6.7099217 "source-unit" "angstrom" } }