{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.213805 0 0.064896 ] [ 0.713805 0.5 0.064896 ] [ 0.152027 0.5 0.530271 ] [ 0.996365 0 0.000125 ] [ 0.846759 0.5 0.479307 ] [ 0.652027 0 0.530271 ] [ 0.496365 0.5 0.000125 ] [ 0.346759 0 0.479307 ] [ 0.904362 0 0.686299 ] [ 0.768653 0 0.290034 ] [ 0.069621 0.5 0.824484 ] [ 0.932125 0.5 0.183789 ] [ 0.228586 0 0.697025 ] [ 0.099895 0 0.304069 ] [ 0.404362 0.5 0.686299 ] [ 0.268653 0.5 0.290034 ] [ 0.569621 0 0.824484 ] [ 0.432125 0 0.183789 ] [ 0.728586 0.5 0.697025 ] [ 0.599895 0.5 0.304069 ] ] } "species" { "source-value" [ "Li" "Li" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "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" 14.24267355 "source-unit" "angstrom" } "b" { "source-value" 2.9626461 "source-unit" "angstrom" } "c" { "source-value" 5.00309968 "source-unit" "angstrom" } "beta" { "source-value" 92.5043184 "source-unit" "degree" } }