{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0 ] [ 0 0 0.5 ] [ 0.017256 0.25 0.775762 ] [ 0.482744 0.25 0.275762 ] [ 0.517256 0.75 0.724238 ] [ 0.982744 0.75 0.224238 ] [ 0.056144 0.75 0.906627 ] [ 0.443856 0.75 0.406627 ] [ 0.556144 0.25 0.593373 ] [ 0.943856 0.25 0.093373 ] [ 0.18886 0.75 0.054998 ] [ 0.212026 0.531747 0.827727 ] [ 0.212026 0.968253 0.827727 ] [ 0.215858 0.25 0.600981 ] [ 0.284142 0.25 0.100981 ] [ 0.287974 0.968253 0.327727 ] [ 0.287974 0.531747 0.327727 ] [ 0.31114 0.75 0.554998 ] [ 0.68886 0.25 0.445002 ] [ 0.712026 0.031747 0.672273 ] [ 0.712026 0.468253 0.672273 ] [ 0.715858 0.75 0.899019 ] [ 0.784142 0.75 0.399019 ] [ 0.787974 0.468253 0.172273 ] [ 0.787974 0.031747 0.172273 ] [ 0.81114 0.25 0.945002 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Co" "Co" "Co" "Co" "Si" "Si" "Si" "Si" "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" 4.77092603 "source-unit" "angstrom" } "b" { "source-value" 5.79618306 "source-unit" "angstrom" } "c" { "source-value" 10.15644328 "source-unit" "angstrom" } }