{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.169153 0.25 ] [ 0.5 0.133318 0.593065 ] [ 0.5 0.133318 0.906935 ] [ 0.5 0.866682 0.093065 ] [ 0.5 0.866682 0.406935 ] [ 0.5 0.830847 0.75 ] [ 0 0.669153 0.25 ] [ 0 0.633318 0.593065 ] [ 0 0.633318 0.906935 ] [ 0 0.366682 0.093065 ] [ 0 0.366682 0.406935 ] [ 0 0.330847 0.75 ] [ 0.5 0.038558 0.75 ] [ 0 0.246823 0.25 ] [ 0 0.775562 0.401669 ] [ 0 0.775562 0.098331 ] [ 0 0.224438 0.901669 ] [ 0 0.224438 0.598331 ] [ 0 0.753177 0.75 ] [ 0.5 0.961442 0.25 ] [ 0 0.538558 0.75 ] [ 0.5 0.746823 0.25 ] [ 0.5 0.275562 0.401669 ] [ 0.5 0.275562 0.098331 ] [ 0.5 0.724438 0.901669 ] [ 0.5 0.724438 0.598331 ] [ 0.5 0.253177 0.75 ] [ 0 0.461442 0.25 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.06674818 "source-unit" "angstrom" } "b" { "source-value" 12.60057452 "source-unit" "angstrom" } "c" { "source-value" 11.57310121 "source-unit" "angstrom" } }