{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pa3" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.833104 0.166896 0.666896 ] [ 0.166896 0.833104 0.333104 ] [ 0.666896 0.666896 0.666896 ] [ 0.166896 0.666896 0.833104 ] [ 0.333104 0.166896 0.833104 ] [ 0.833104 0.333104 0.166896 ] [ 0.666896 0.833104 0.166896 ] [ 0.333104 0.333104 0.333104 ] [ 0.244802 0.465357 0.467038 ] [ 0.967038 0.244802 0.034643 ] [ 0.032962 0.744802 0.465357 ] [ 0.467038 0.255198 0.965357 ] [ 0.255198 0.965357 0.467038 ] [ 0.534643 0.532962 0.755198 ] [ 0.965357 0.032962 0.755198 ] [ 0.532962 0.744802 0.034643 ] [ 0.534643 0.967038 0.255198 ] [ 0.465357 0.032962 0.744802 ] [ 0.755198 0.965357 0.032962 ] [ 0.255198 0.534643 0.967038 ] [ 0.034643 0.532962 0.744802 ] [ 0.034643 0.967038 0.244802 ] [ 0.244802 0.034643 0.967038 ] [ 0.465357 0.467038 0.244802 ] [ 0.755198 0.534643 0.532962 ] [ 0.965357 0.467038 0.255198 ] [ 0.032962 0.755198 0.965357 ] [ 0.467038 0.244802 0.465357 ] [ 0.532962 0.755198 0.534643 ] [ 0.967038 0.255198 0.534643 ] [ 0.744802 0.034643 0.532962 ] [ 0.744802 0.465357 0.032962 ] ] } "species" { "source-value" [ "Sn" "Sn" "Sn" "Sn" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "O" "O" "O" "O" "O" "O" "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" 8.35828743 "source-unit" "angstrom" } }