{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P622" } "basis-atom-coordinates" { "source-value" [ [ 0.570711 0.90504 0.845465 ] [ 0.665671 0.570711 0.845465 ] [ 0.90504 0.334329 0.845465 ] [ 0.334329 0.429289 0.845465 ] [ 0.665671 0.09496 0.154535 ] [ 0.570711 0.665671 0.154535 ] [ 0.334329 0.90504 0.154535 ] [ 0.429289 0.09496 0.845465 ] [ 0.09496 0.665671 0.845465 ] [ 0.90504 0.570711 0.154535 ] [ 0.429289 0.334329 0.154535 ] [ 0.09496 0.429289 0.154535 ] [ 0 0.296244 0 ] [ 0.703756 0 0 ] [ 0.296244 0.296244 0 ] [ 0.556737 0.778369 0 ] [ 0.401988 0 0.5 ] [ 0.443263 0.221631 0 ] [ 0.778369 0.221631 0 ] [ 0.880932 0.440466 0 ] [ 0.559534 0.440466 0 ] [ 0.221631 0.778369 0 ] [ 0 0.401988 0.5 ] [ 0.598012 0.598012 0.5 ] [ 0.296244 0 0 ] [ 0.221631 0.443263 0 ] [ 0.598012 0 0.5 ] [ 0.559534 0.119068 0 ] [ 0.401988 0.401988 0.5 ] [ 0.703756 0.703756 0 ] [ 0.440466 0.559534 0 ] [ 0 0.598012 0.5 ] [ 0.440466 0.880932 0 ] [ 0.778369 0.556737 0 ] [ 0.119068 0.559534 0 ] [ 0 0.703756 0 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "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" "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" 12.8842847897 "source-unit" "angstrom" } "c" { "source-value" 3.88457731 "source-unit" "angstrom" } }