{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.895905 0 0.776679 ] [ 0.104095 0 0.223321 ] [ 0.395905 0.5 0.776679 ] [ 0.604095 0.5 0.223321 ] [ 0.80325 0 0.192923 ] [ 0.19675 0 0.807077 ] [ 0.30325 0.5 0.192923 ] [ 0.69675 0.5 0.807077 ] [ 0.945516 0 0.131069 ] [ 0.864041 0 0.491819 ] [ 0.134108 0.5 0.202669 ] [ 0.244356 0.5 0.852395 ] [ 0.755644 0.5 0.147605 ] [ 0.865892 0.5 0.797331 ] [ 0.135959 0 0.508181 ] [ 0.054484 0 0.868931 ] [ 0.445516 0.5 0.131069 ] [ 0.364041 0.5 0.491819 ] [ 0.634108 0 0.202669 ] [ 0.744356 0 0.852395 ] [ 0.255644 0 0.147605 ] [ 0.365892 0 0.797331 ] [ 0.635959 0.5 0.508181 ] [ 0.554484 0.5 0.868931 ] ] } "species" { "source-value" [ "Ta" "Ta" "Ta" "Ta" "Fe" "Fe" "Fe" "Fe" "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" 12.70014071 "source-unit" "angstrom" } "b" { "source-value" 3.88788978 "source-unit" "angstrom" } "c" { "source-value" 6.73438944 "source-unit" "angstrom" } "beta" { "source-value" 107.55966599 "source-unit" "degree" } }