{ "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" [ [ 0.249224 0.5 0.748756 ] [ 0.250776 0 0.251244 ] [ 0.749224 0 0.748756 ] [ 0.750776 0.5 0.251244 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.114271 0 0.869811 ] [ 0.385729 0.5 0.130189 ] [ 0.11281 0.5 0.372351 ] [ 0.38719 0 0.627649 ] [ 0.614271 0.5 0.869811 ] [ 0.885729 0 0.130189 ] [ 0.61281 0 0.372351 ] [ 0.88719 0.5 0.627649 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cr" "Cr" "Fe" "Fe" "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" 9.89180865 "source-unit" "angstrom" } "b" { "source-value" 2.97472507 "source-unit" "angstrom" } "c" { "source-value" 5.15235886 "source-unit" "angstrom" } "beta" { "source-value" 99.97362173 "source-unit" "degree" } }