{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ibmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.75 0.380831 ] [ 0 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.75 0.119169 ] [ 0.5 0.25 0.880831 ] [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0 0.25 0.619169 ] [ 0.75 0.75 0.75 ] [ 0.75 0.25 0.25 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.239297 0.25 0.014196 ] [ 0.5 0.97966 0.746849 ] [ 0.260703 0.75 0.514196 ] [ 0 0.02034 0.246849 ] [ 0.5 0.47966 0.253151 ] [ 0.239297 0.75 0.985804 ] [ 0 0.52034 0.753151 ] [ 0.260703 0.25 0.485804 ] [ 0.739297 0.75 0.514196 ] [ 0 0.47966 0.246849 ] [ 0.760703 0.25 0.014196 ] [ 0.5 0.52034 0.746849 ] [ 0 0.97966 0.753151 ] [ 0.739297 0.25 0.485804 ] [ 0.5 0.02034 0.253151 ] [ 0.760703 0.75 0.985804 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.84788212 "source-unit" "angstrom" } "b" { "source-value" 7.89230303 "source-unit" "angstrom" } "c" { "source-value" 11.01385979 "source-unit" "angstrom" } }