{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P23" } "basis-atom-coordinates" { "source-value" [ [ 0.416282 0.836315 0.355575 ] [ 0.163685 0.644425 0.416282 ] [ 0.355575 0.583718 0.163685 ] [ 0.836315 0.355575 0.416282 ] [ 0.836315 0.644425 0.583718 ] [ 0.583718 0.163685 0.355575 ] [ 0.355575 0.416282 0.836315 ] [ 0.583718 0.836315 0.644425 ] [ 0.644425 0.416282 0.163685 ] [ 0.163685 0.355575 0.583718 ] [ 0.644425 0.583718 0.836315 ] [ 0.416282 0.163685 0.644425 ] [ 0.5 0 0.335012 ] [ 0.5 0 0.664988 ] [ 0.816781 0.415713 0.238162 ] [ 0.248363 0.5 0.5 ] [ 0.761838 0.816781 0.584287 ] [ 0.584287 0.238162 0.183219 ] [ 0.415713 0.761838 0.183219 ] [ 0.238162 0.183219 0.584287 ] [ 0 0.664988 0.5 ] [ 0.751637 0.5 0.5 ] [ 0.5 0.751637 0.5 ] [ 0 0.335012 0.5 ] [ 0.816781 0.584287 0.761838 ] [ 0.415713 0.238162 0.816781 ] [ 0.5 0.5 0.248363 ] [ 0.183219 0.415713 0.761838 ] [ 0.183219 0.584287 0.238162 ] [ 0.664988 0.5 0 ] [ 0.761838 0.183219 0.415713 ] [ 0.335012 0.5 0 ] [ 0.5 0.5 0.751637 ] [ 0.584287 0.761838 0.816781 ] [ 0.5 0.248363 0.5 ] [ 0.238162 0.816781 0.415713 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "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" 8.79332584 "source-unit" "angstrom" } }