{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm2m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.333586 0 ] [ 0.5 0.833586 0 ] [ 0 0.341179 0.668993 ] [ 0 0.341179 0.331007 ] [ 0 0.671686 0.5 ] [ 0 0.673162 0.833677 ] [ 0 0.673162 0.166323 ] [ 0.5 0.841179 0.668993 ] [ 0.5 0.841179 0.331007 ] [ 0.5 0.171686 0.5 ] [ 0.5 0.173162 0.833677 ] [ 0.5 0.173162 0.166323 ] [ 0 0.322989 0.5 ] [ 0 0.323587 0.162234 ] [ 0 0.323587 0.837766 ] [ 0 0.666183 0.668039 ] [ 0 0.666183 0.331961 ] [ 0.5 0.822989 0.5 ] [ 0.5 0.823587 0.162234 ] [ 0.5 0.823587 0.837766 ] [ 0.5 0.166183 0.668039 ] [ 0.5 0.166183 0.331961 ] [ 0 0.665062 0 ] [ 0.5 0.165062 0 ] ] } "species" { "source-value" [ "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 3.58851493 "source-unit" "angstrom" } "b" { "source-value" 6.14566496 "source-unit" "angstrom" } "c" { "source-value" 13.45052754 "source-unit" "angstrom" } }