{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_322" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.937217 ] [ 0.666667 0.333333 0.562783 ] [ 0.333333 0.666667 0.062783 ] [ 0.333333 0.666667 0.437217 ] [ 0 0.420648 0 ] [ 0.420648 0.420648 0.5 ] [ 0.579352 0 0.5 ] [ 0.579352 0.579352 0 ] [ 0 0.579352 0.5 ] [ 0.666667 0.333333 0.75 ] [ 0.333333 0.666667 0.25 ] [ 0.420648 0 0 ] ] } "species" { "source-value" [ "Si" "Si" "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" 5.11229859735 "source-unit" "angstrom" } "c" { "source-value" 8.62959079 "source-unit" "angstrom" } }