{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pb2_1m" } "basis-atom-coordinates" { "source-value" [ [ 0.674891 0.137933 0 ] [ 0.720962 0.365578 0.5 ] [ 0.279038 0.865578 0.5 ] [ 0.325109 0.637933 0 ] [ 0.771185 0.881463 0.82156 ] [ 0.228815 0.381463 0.82156 ] [ 0.228815 0.381463 0.17844 ] [ 0.244744 0.116603 0.67304 ] [ 0.244744 0.116603 0.32696 ] [ 0.755256 0.616603 0.67304 ] [ 0.771185 0.881463 0.17844 ] [ 0.755256 0.616603 0.32696 ] [ 0.247096 0.477882 0.633899 ] [ 0.287483 0.020994 0.135666 ] [ 0.247096 0.477882 0.366101 ] [ 0.752903 0.977882 0.633899 ] [ 0.712517 0.520994 0.135666 ] [ 0.752903 0.977882 0.366101 ] [ 0.712517 0.520994 0.864334 ] [ 0.287483 0.020994 0.864334 ] [ 0.225163 0.21081 0.5 ] [ 0.820235 0.791226 0 ] [ 0.179765 0.291226 0 ] [ 0.774837 0.71081 0.5 ] [ 0.271631 0.751294 0.250008 ] [ 0.728369 0.251294 0.749992 ] [ 0.271631 0.751294 0.749992 ] [ 0.728369 0.251294 0.250008 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "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" 2.955816 "source-unit" "angstrom" } "b" { "source-value" 9.79544842 "source-unit" "angstrom" } "c" { "source-value" 10.00548365 "source-unit" "angstrom" } }