{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3mc" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.31237 ] [ 0 0 0.81237 ] [ 0.333333 0.666667 0.591655 ] [ 0.666667 0.333333 0.091655 ] [ 0.666667 0.333333 0.475654 ] [ 0.333333 0.666667 0.975654 ] [ 0.948037 0.474018 0.36878 ] [ 0.474018 0.948037 0.86878 ] [ 0.474018 0.525982 0.86878 ] [ 0.525982 0.474018 0.36878 ] [ 0.525982 0.051963 0.36878 ] [ 0.051963 0.525982 0.86878 ] [ 0.61932 0.80966 0.078307 ] [ 0.80966 0.61932 0.578307 ] [ 0.80966 0.19034 0.578307 ] [ 0.19034 0.80966 0.078307 ] [ 0.19034 0.38068 0.078307 ] [ 0.38068 0.19034 0.578307 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Si" "Si" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.74107918216 "source-unit" "angstrom" } "c" { "source-value" 9.41976954 "source-unit" "angstrom" } }