{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnnm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.82695 0.955024 ] [ 0 0.984357 0.79892 ] [ 0.5 0.484357 0.70108 ] [ 0 0.32695 0.544976 ] [ 0 0.67305 0.455024 ] [ 0.5 0.515643 0.29892 ] [ 0 0.015643 0.20108 ] [ 0.5 0.17305 0.044976 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.5 0.226771 0.787825 ] [ 0 0.726771 0.712175 ] [ 0 0.273229 0.287825 ] [ 0.5 0.773229 0.212175 ] [ 0.5 0.35692 0.87948 ] [ 0 0.760186 0.857205 ] [ 0.5 0.077125 0.845005 ] [ 0 0.577125 0.654995 ] [ 0.5 0.260186 0.642795 ] [ 0 0.85692 0.62052 ] [ 0 0.14308 0.37948 ] [ 0.5 0.739814 0.357205 ] [ 0 0.422875 0.345005 ] [ 0.5 0.922875 0.154995 ] [ 0 0.239814 0.142795 ] [ 0.5 0.64308 0.12052 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Sn" "Sn" "B" "B" "B" "B" "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" 3.55526511 "source-unit" "angstrom" } "b" { "source-value" 8.50192122 "source-unit" "angstrom" } "c" { "source-value" 9.46257377 "source-unit" "angstrom" } }