{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P3m1" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.327775 ] [ 0 0 0.002927 ] [ 0 0 0.502916 ] [ 0.666667 0.333333 0.702898 ] [ 0.333333 0.666667 0.771222 ] [ 0.666667 0.333333 0.232727 ] [ 0.190682 0.809318 0.698746 ] [ 0.809058 0.190942 0.304626 ] [ 0.333333 0.666667 0.972911 ] [ 0.809058 0.618117 0.304626 ] [ 0.190682 0.381364 0.698746 ] [ 0.666667 0.333333 0.029508 ] [ 0.381883 0.190942 0.304626 ] [ 0.618636 0.809318 0.698746 ] ] } "species" { "source-value" [ "K" "K" "Na" "Na" "S" "S" "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" 5.69608432736 "source-unit" "angstrom" } "c" { "source-value" 7.28458968 "source-unit" "angstrom" } }