{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P3_221" } "basis-atom-coordinates" { "source-value" [ [ 0.524011 0 0.166667 ] [ 0 0.524011 0.833333 ] [ 0.475989 0.475989 0.5 ] [ 0.256647 0.84184 0.960785 ] [ 0.585193 0.743353 0.294118 ] [ 0.15816 0.414807 0.627452 ] [ 0.414807 0.15816 0.372548 ] [ 0.743353 0.585193 0.705882 ] [ 0.84184 0.256647 0.039215 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "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" 5.01978486 "source-unit" "angstrom" } "c" { "source-value" 5.5086634 "source-unit" "angstrom" } }