{ "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 0.832706 0.5 ] [ 0 0.5 0.5 ] [ 0 0.167294 0.5 ] [ 0.5 0.332706 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.667294 0.5 ] [ 0 0.666747 0 ] [ 0 0.333253 0 ] [ 0.5 0.166747 0 ] [ 0.5 0.833253 0 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.725382 0 0.219703 ] [ 0.752914 0.173829 0.78236 ] [ 0.752914 0.826171 0.78236 ] [ 0.247086 0.173829 0.21764 ] [ 0.247086 0.826171 0.21764 ] [ 0.274618 0 0.780297 ] [ 0.225382 0.5 0.219703 ] [ 0.252914 0.673829 0.78236 ] [ 0.252914 0.326171 0.78236 ] [ 0.747086 0.673829 0.21764 ] [ 0.747086 0.326171 0.21764 ] [ 0.774618 0.5 0.780297 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Al" "Al" "Al" "Al" "Fe" "Fe" "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" 5.00128418 "source-unit" "angstrom" } "b" { "source-value" 8.65891396 "source-unit" "angstrom" } "c" { "source-value" 5.11508998 "source-unit" "angstrom" } "beta" { "source-value" 109.14624863 "source-unit" "degree" } }