{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.668017 0 0.265417 ] [ 0.179382 0.5 0.215991 ] [ 0.820618 0.5 0.784009 ] [ 0.331983 0 0.734583 ] ] } "species" { "source-value" [ "Li" "Ti" "Ti" "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" 4.78894344 "source-unit" "angstrom" } "b" { "source-value" 2.93089463 "source-unit" "angstrom" } "c" { "source-value" 4.83256846 "source-unit" "angstrom" } "beta" { "source-value" 90.94744483 "source-unit" "degree" } }