{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccme" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.137187 0.982994 ] [ 0.5 0.862813 0.017006 ] [ 0 0.862813 0.482994 ] [ 0 0.137187 0.517006 ] [ 0 0.637187 0.982994 ] [ 0 0.362813 0.017006 ] [ 0.5 0.362813 0.482994 ] [ 0.5 0.637187 0.517006 ] [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0.82034 0.426728 ] [ 0.5 0.17966 0.573272 ] [ 0 0.17966 0.926728 ] [ 0 0.82034 0.073272 ] [ 0.25 0.022041 0.25 ] [ 0.25 0.977959 0.75 ] [ 0.75 0.022041 0.25 ] [ 0.75 0.977959 0.75 ] [ 0 0.32034 0.426728 ] [ 0 0.67966 0.573272 ] [ 0.5 0.67966 0.926728 ] [ 0.5 0.32034 0.073272 ] [ 0.75 0.522041 0.25 ] [ 0.75 0.477959 0.75 ] [ 0.25 0.522041 0.25 ] [ 0.25 0.477959 0.75 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Ni" "Ni" "Ni" "Ni" "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" 5.41718877017 "source-unit" "angstrom" } "b" { "source-value" 12.1722753506 "source-unit" "angstrom" } "c" { "source-value" 5.69321812 "source-unit" "angstrom" } }