{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2" } "basis-atom-coordinates" { "source-value" [ [ 0.337945 0.664842 0.688357 ] [ 0.162055 0.164842 0.311643 ] [ 0.837945 0.164842 0.688357 ] [ 0.662055 0.664842 0.311643 ] [ 0 0.672716 0.5 ] [ 0.5 0.172716 0.5 ] [ 0.334191 0.663285 0.165086 ] [ 0.165809 0.163285 0.834914 ] [ 0.834191 0.163285 0.165086 ] [ 0.665809 0.663285 0.834914 ] [ 0.157589 0.698715 0.587872 ] [ 0.991023 0.168719 0.278516 ] [ 0.320245 0.143975 0.926157 ] [ 0.008977 0.168719 0.721484 ] [ 0.342411 0.198715 0.412128 ] [ 0.179755 0.643975 0.073843 ] [ 0.657589 0.198715 0.587872 ] [ 0.491023 0.668719 0.278516 ] [ 0.820245 0.643975 0.926157 ] [ 0.508977 0.668719 0.721484 ] [ 0.842411 0.698715 0.412128 ] [ 0.679755 0.143975 0.073843 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "Ni" "Ni" "Ni" "Ni" "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" 12.66408648 "source-unit" "angstrom" } "b" { "source-value" 2.92227186 "source-unit" "angstrom" } "c" { "source-value" 5.88387241 "source-unit" "angstrom" } "beta" { "source-value" 105.81500677 "source-unit" "degree" } }