{ "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" [ [ 0.25 0.75 0.5 ] [ 0.5 0.5 0.5 ] [ 0.75 0.75 0.5 ] [ 0.75 0.25 0.5 ] [ 0 0 0.5 ] [ 0.25 0.25 0.5 ] [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0.25 0.75 0 ] [ 0.25 0.25 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.75 0.25 0 ] [ 0.75 0.75 0 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.749991 0 0.742361 ] [ 0.001232 0.246911 0.254854 ] [ 0.25061 0.5 0.234099 ] [ 0.998768 0.246911 0.745146 ] [ 0.001232 0.753089 0.254854 ] [ 0.74939 0.5 0.765901 ] [ 0.998768 0.753089 0.745146 ] [ 0.250009 0 0.257639 ] [ 0.249991 0.5 0.742361 ] [ 0.501232 0.746911 0.254854 ] [ 0.75061 0 0.234099 ] [ 0.498768 0.746911 0.745146 ] [ 0.501232 0.253089 0.254854 ] [ 0.24939 0 0.765901 ] [ 0.498768 0.253089 0.745146 ] [ 0.750009 0.5 0.257639 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "V" "V" "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" 10.31149424 "source-unit" "angstrom" } "b" { "source-value" 5.88631557 "source-unit" "angstrom" } "c" { "source-value" 5.99918105 "source-unit" "angstrom" } "beta" { "source-value" 125.33577388 "source-unit" "degree" } }