{ "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 0.558444 ] [ 0.333333 0.666667 0.058444 ] [ 0.333333 0.666667 0.441556 ] [ 0.666667 0.333333 0.941556 ] [ 0.866076 0.231819 0.25 ] [ 0.231819 0.365743 0.75 ] [ 0.634257 0.866076 0.75 ] [ 0.365743 0.133924 0.25 ] [ 0.768181 0.634257 0.25 ] [ 0.133924 0.768181 0.75 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.025945 0.792798 0.605932 ] [ 0.792798 0.766852 0.105932 ] [ 0.233148 0.025945 0.105932 ] [ 0.766852 0.974055 0.605932 ] [ 0.207202 0.233148 0.605932 ] [ 0.974055 0.207202 0.105932 ] [ 0.974055 0.207202 0.394068 ] [ 0.207202 0.233148 0.894068 ] [ 0.766852 0.974055 0.894068 ] [ 0.233148 0.025945 0.394068 ] [ 0.792798 0.766852 0.394068 ] [ 0.025945 0.792798 0.894068 ] [ 0.419822 0.926687 0.75 ] [ 0.926687 0.506865 0.25 ] [ 0.493135 0.419822 0.25 ] [ 0.506865 0.580178 0.75 ] [ 0.073313 0.493135 0.75 ] [ 0.580178 0.073313 0.25 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 6.70507625 "source-unit" "angstrom" } "c" { "source-value" 9.63649341 "source-unit" "angstrom" } }