{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R3m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.974919 ] [ 0.666667 0.333333 0.308252 ] [ 0.333333 0.666667 0.641585 ] [ 0 0 0.489672 ] [ 0.666667 0.333333 0.823005 ] [ 0.333333 0.666667 0.156339 ] [ 0.209573 0.790427 0.219807 ] [ 0.580854 0.790427 0.219807 ] [ 0.209573 0.419146 0.219807 ] [ 0.87624 0.12376 0.55314 ] [ 0.24752 0.12376 0.55314 ] [ 0.87624 0.75248 0.55314 ] [ 0.542906 0.457094 0.886473 ] [ 0.914187 0.457094 0.886473 ] [ 0.542906 0.085813 0.886473 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cl" "Cl" "Cl" "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" 6.52413513 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }