{ "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" [ [ 0.072035 0.794607 0.75 ] [ 0.722572 0.927965 0.75 ] [ 0.794607 0.722572 0.25 ] [ 0.205393 0.277428 0.75 ] [ 0.277428 0.072035 0.25 ] [ 0.927965 0.205393 0.25 ] [ 0.333333 0.666667 0.009253 ] [ 0.333333 0.666667 0.490747 ] [ 0.666667 0.333333 0.509253 ] [ 0.666667 0.333333 0.990747 ] [ 0.063251 0.818137 0.25 ] [ 0.096233 0.677467 0.892798 ] [ 0.096233 0.677467 0.607202 ] [ 0.581234 0.903767 0.892798 ] [ 0.581234 0.903767 0.607202 ] [ 0.754885 0.936749 0.25 ] [ 0.818137 0.754885 0.75 ] [ 0.322533 0.418766 0.892798 ] [ 0.322533 0.418766 0.607202 ] [ 0.677467 0.581234 0.392798 ] [ 0.677467 0.581234 0.107202 ] [ 0.181863 0.245115 0.25 ] [ 0.245115 0.063251 0.75 ] [ 0.418766 0.096233 0.392798 ] [ 0.418766 0.096233 0.107202 ] [ 0.903767 0.322533 0.392798 ] [ 0.903767 0.322533 0.107202 ] [ 0.936749 0.181863 0.75 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Sb" "Sb" "Sb" "Sb" "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" 6.98094228 "source-unit" "angstrom" } "c" { "source-value" 9.48286455 "source-unit" "angstrom" } }