{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcm" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0 0.864018 ] [ 0.75 0 0.135982 ] [ 0.75 0.5 0.364018 ] [ 0.25 0.5 0.635982 ] [ 0.5 0 0.5 ] [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0.5 0 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.25 ] [ 0.75 0.75 0.75 ] [ 0.75 0.25 0.75 ] [ 0.51799 0 0.72898 ] [ 0.25 0.280475 0.006764 ] [ 0.25 0.719525 0.006764 ] [ 0.98201 0 0.72898 ] [ 0.01799 0 0.27102 ] [ 0.75 0.719525 0.993236 ] [ 0.75 0.280475 0.993236 ] [ 0.48201 0 0.27102 ] [ 0.01799 0.5 0.22898 ] [ 0.75 0.780475 0.506764 ] [ 0.75 0.219525 0.506764 ] [ 0.48201 0.5 0.22898 ] [ 0.51799 0.5 0.77102 ] [ 0.25 0.219525 0.493236 ] [ 0.25 0.780475 0.493236 ] [ 0.98201 0.5 0.77102 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Fe" "Fe" "Fe" "Fe" "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" 5.87750156 "source-unit" "angstrom" } "b" { "source-value" 5.96480651 "source-unit" "angstrom" } "c" { "source-value" 8.47686343 "source-unit" "angstrom" } }