{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.673904 0 0.287003 ] [ 0 0.822204 0.5 ] [ 0 0.177796 0.5 ] [ 0.326096 0 0.712997 ] [ 0.173904 0.5 0.287003 ] [ 0.5 0.322204 0.5 ] [ 0.5 0.677796 0.5 ] [ 0.826096 0.5 0.712997 ] [ 0 0.804432 0 ] [ 0 0.195568 0 ] [ 0.5 0.304432 0 ] [ 0.5 0.695568 0 ] [ 0.682614 0 0.744218 ] [ 0.317386 0 0.255782 ] [ 0.182614 0.5 0.744218 ] [ 0.817386 0.5 0.255782 ] [ 0.804333 0 0.968211 ] [ 0.800898 0 0.564875 ] [ 0.05383 0.334057 0.756638 ] [ 0.05383 0.665943 0.756638 ] [ 0.94617 0.665943 0.243362 ] [ 0.94617 0.334057 0.243362 ] [ 0.199102 0 0.435125 ] [ 0.195667 0 0.031789 ] [ 0.304333 0.5 0.968211 ] [ 0.300898 0.5 0.564875 ] [ 0.55383 0.834057 0.756638 ] [ 0.55383 0.165943 0.756638 ] [ 0.44617 0.165943 0.243362 ] [ 0.44617 0.834057 0.243362 ] [ 0.699102 0.5 0.435125 ] [ 0.695667 0.5 0.031789 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "B" "B" "B" "B" "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" 7.02129882 "source-unit" "angstrom" } "b" { "source-value" 7.3049022 "source-unit" "angstrom" } "c" { "source-value" 6.17738852 "source-unit" "angstrom" } "beta" { "source-value" 91.14666335 "source-unit" "degree" } }