{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-3m1" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.665532 ] [ 0.333333 0.666667 0.334468 ] [ 0 0 0 ] [ 0.666667 0.333333 0.1807 ] [ 0.333333 0.666667 0.8193 ] [ 0.822258 0.177742 0.328465 ] [ 0.822258 0.644516 0.328465 ] [ 0.355484 0.177742 0.328465 ] [ 0.644516 0.822258 0.671535 ] [ 0.177742 0.355484 0.671535 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.5 0.5 0 ] [ 0.177742 0.822258 0.671535 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Sb" "Sb" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.79652839002 "source-unit" "angstrom" } "c" { "source-value" 9.53674807 "source-unit" "angstrom" } }