{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.295353 0.337593 0.066096 ] [ 0.704647 0.837593 0.433904 ] [ 0.295353 0.162407 0.566096 ] [ 0.704647 0.662407 0.933904 ] [ 0.745624 0.403144 0.35804 ] [ 0.254376 0.903144 0.14196 ] [ 0.745624 0.096856 0.85804 ] [ 0.254376 0.596856 0.64196 ] [ 0.825258 0.316382 0.607751 ] [ 0.174742 0.816382 0.892249 ] [ 0.825258 0.183618 0.107751 ] [ 0.174742 0.683618 0.392249 ] [ 0.109044 0.192017 0.190782 ] [ 0.346366 0.732988 0.306966 ] [ 0.766211 0.551605 0.534602 ] [ 0.757315 0.147466 0.486322 ] [ 0.242685 0.647466 0.013678 ] [ 0.233789 0.051605 0.965398 ] [ 0.109044 0.307983 0.690782 ] [ 0.346366 0.767012 0.806966 ] [ 0.653634 0.232988 0.193034 ] [ 0.890956 0.692017 0.309218 ] [ 0.766211 0.948395 0.034602 ] [ 0.757315 0.352534 0.986322 ] [ 0.242685 0.852534 0.513678 ] [ 0.233789 0.448395 0.465398 ] [ 0.653634 0.267012 0.693034 ] [ 0.890956 0.807983 0.809218 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cu" "Cu" "Cu" "Cu" "P" "P" "P" "P" "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" 5.62405223 "source-unit" "angstrom" } "b" { "source-value" 5.86873565 "source-unit" "angstrom" } "c" { "source-value" 10.5818412 "source-unit" "angstrom" } "beta" { "source-value" 108.98445924 "source-unit" "degree" } }