{ "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 0.866403 0.943205 ] [ 0 0.866403 0.556795 ] [ 0 0.133597 0.056795 ] [ 0 0.133597 0.443205 ] [ 0.5 0.366403 0.943205 ] [ 0.5 0.366403 0.556795 ] [ 0.5 0.633597 0.056795 ] [ 0.5 0.633597 0.443205 ] [ 0 0.808446 0.25 ] [ 0 0.191554 0.75 ] [ 0.5 0.308446 0.25 ] [ 0.5 0.691554 0.75 ] [ 0 0.949027 0.120211 ] [ 0 0.949027 0.379789 ] [ 0.5 0.811558 0.90752 ] [ 0.5 0.811558 0.59248 ] [ 0.5 0.236171 0.75 ] [ 0.5 0.763829 0.25 ] [ 0.5 0.188442 0.40752 ] [ 0.5 0.188442 0.09248 ] [ 0 0.050973 0.620211 ] [ 0 0.050973 0.879789 ] [ 0.5 0.449027 0.120211 ] [ 0.5 0.449027 0.379789 ] [ 0 0.311558 0.90752 ] [ 0 0.311558 0.59248 ] [ 0 0.736171 0.75 ] [ 0 0.263829 0.25 ] [ 0 0.688442 0.40752 ] [ 0 0.688442 0.09248 ] [ 0.5 0.550973 0.620211 ] [ 0.5 0.550973 0.879789 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "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" 3.88292306 "source-unit" "angstrom" } "b" { "source-value" 9.92250916 "source-unit" "angstrom" } "c" { "source-value" 10.08718004 "source-unit" "angstrom" } }