{ "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" [ [ 0.012216 0.620264 0.241021 ] [ 0.987784 0.120264 0.258979 ] [ 0.987784 0.379736 0.758979 ] [ 0.012216 0.879736 0.741021 ] [ 0.612506 0.864789 0.247107 ] [ 0.387494 0.364789 0.252893 ] [ 0.387494 0.135211 0.752893 ] [ 0.612506 0.635211 0.747107 ] [ 0.831364 0.639688 0.836138 ] [ 0.168636 0.139688 0.663862 ] [ 0.168636 0.360312 0.163862 ] [ 0.831364 0.860312 0.336138 ] [ 0.282236 0.608674 0.628673 ] [ 0.717764 0.108674 0.871327 ] [ 0.717764 0.391326 0.371327 ] [ 0.282236 0.891326 0.128673 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "H" "H" "H" "H" "O" "O" "O" "O" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.07660378435 "source-unit" "angstrom" } "b" { "source-value" 6.46915858 "source-unit" "angstrom" } "c" { "source-value" 5.39002941237 "source-unit" "angstrom" } "beta" { "source-value" 114.336330627 "source-unit" "degree" } }