{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-3m1" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.333333 0.666667 0.926838 ] [ 0.666667 0.333333 0.073162 ] [ 0.333333 0.666667 0.264727 ] [ 0.37708 0.18854 0.223244 ] [ 0.666667 0.333333 0.735273 ] [ 0.81146 0.18854 0.223244 ] [ 0.81146 0.62292 0.223244 ] [ 0.62292 0.81146 0.776756 ] [ 0.18854 0.81146 0.776756 ] [ 0.18854 0.37708 0.776756 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Si" "Si" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.01454276001 "source-unit" "angstrom" } "c" { "source-value" 4.82891715224 "source-unit" "angstrom" } }