{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0.095717 ] [ 0 0 0.204227 ] [ 0 0 0.795773 ] [ 0.5 0.5 0.904283 ] [ 0 0 0.595717 ] [ 0.5 0.5 0.704227 ] [ 0.5 0.5 0.295773 ] [ 0 0 0.404283 ] [ 0.5 0 0.147946 ] [ 0 0.5 0.244403 ] [ 0.5 0 0.955437 ] [ 0 0.5 0.95297 ] [ 0 0.5 0.04703 ] [ 0.5 0 0.044563 ] [ 0 0.5 0.755597 ] [ 0.5 0 0.852054 ] [ 0 0.5 0.647946 ] [ 0.5 0 0.744403 ] [ 0 0.5 0.455437 ] [ 0.5 0 0.45297 ] [ 0.5 0 0.54703 ] [ 0 0.5 0.544563 ] [ 0.5 0 0.255597 ] [ 0 0.5 0.352054 ] ] } "species" { "source-value" [ "U" "U" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "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" 3.84027091 "source-unit" "angstrom" } "b" { "source-value" 3.93346424 "source-unit" "angstrom" } "c" { "source-value" 28.43912397 "source-unit" "angstrom" } }