{ "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" [ [ 0.5 0 0.5 ] [ 0 0.824739 0.5 ] [ 0 0.175261 0.5 ] [ 0 0.33465 0 ] [ 0 0.66535 0 ] [ 0 0.5 0.5 ] [ 0.5 0.324739 0.5 ] [ 0.5 0.675261 0.5 ] [ 0.5 0.83465 0 ] [ 0.5 0.16535 0 ] [ 0.777732 0 0.241975 ] [ 0.222268 0 0.758025 ] [ 0.23171 0.847118 0.239753 ] [ 0.76829 0.847118 0.760247 ] [ 0.76829 0.152882 0.760247 ] [ 0.23171 0.152882 0.239753 ] [ 0.052419 0 0.163476 ] [ 0.947581 0 0.836524 ] [ 0.277732 0.5 0.241975 ] [ 0.722268 0.5 0.758025 ] [ 0.73171 0.347118 0.239753 ] [ 0.26829 0.347118 0.760247 ] [ 0.26829 0.652882 0.760247 ] [ 0.73171 0.652882 0.239753 ] [ 0.552419 0.5 0.163476 ] [ 0.447581 0.5 0.836524 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.93210904126 "source-unit" "angstrom" } "b" { "source-value" 11.9204251135 "source-unit" "angstrom" } "c" { "source-value" 7.51671767597 "source-unit" "angstrom" } "beta" { "source-value" 108.177583139 "source-unit" "degree" } }