{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0.268762 0.268762 0.75 ] [ 0 0.731238 0.75 ] [ 0.731238 0 0.75 ] [ 0 0.268762 0.25 ] [ 0.333333 0.666667 0.5 ] [ 0.731238 0.731238 0.25 ] [ 0.666667 0.333333 0.5 ] [ 0.268762 0 0.25 ] [ 0.333333 0.666667 0 ] [ 0.666667 0.333333 0 ] [ 0.613557 0 0.25 ] [ 0 0.386443 0.75 ] [ 0.386443 0 0.75 ] [ 0.613557 0.613557 0.75 ] [ 0 0.613557 0.25 ] [ 0.386443 0.386443 0.25 ] [ 0 0 0 ] [ 0 0 0.5 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.71212880886 "source-unit" "angstrom" } "c" { "source-value" 7.01613686 "source-unit" "angstrom" } }