{ "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" [ [ 0.007439 0.230391 0.513742 ] [ 0.498477 0 0.966517 ] [ 0.007439 0.769609 0.513742 ] [ 0.507439 0.730391 0.513742 ] [ 0.998477 0.5 0.966517 ] [ 0.507439 0.269609 0.513742 ] [ 0.958389 0 0.976326 ] [ 0.458389 0.5 0.976326 ] [ 0.166069 0 0.853893 ] [ 0.869505 0.236937 0.748947 ] [ 0.140471 0.205747 0.243846 ] [ 0.869505 0.763063 0.748947 ] [ 0.612015 0 0.709054 ] [ 0.140471 0.794253 0.243846 ] [ 0.855219 0 0.231141 ] [ 0.666069 0.5 0.853893 ] [ 0.369505 0.736937 0.748947 ] [ 0.640471 0.705747 0.243846 ] [ 0.369505 0.263063 0.748947 ] [ 0.112015 0.5 0.709054 ] [ 0.640471 0.294253 0.243846 ] [ 0.355219 0.5 0.231141 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Ce" "Ce" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "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" 8.00619155828 "source-unit" "angstrom" } "b" { "source-value" 7.84017333379 "source-unit" "angstrom" } "c" { "source-value" 6.59856618052 "source-unit" "angstrom" } "beta" { "source-value" 125.302147533 "source-unit" "degree" } }