{ "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" [ [ 0.729785 0.75473 0.374819 ] [ 0.270215 0.25473 0.125181 ] [ 0.270215 0.24527 0.625181 ] [ 0.729785 0.74527 0.874819 ] [ 0.000049 0.739699 0.624863 ] [ 0.999951 0.239699 0.875137 ] [ 0.999951 0.260301 0.375137 ] [ 0.000049 0.760301 0.124863 ] [ 0.364447 0.749474 0.87508 ] [ 0.635553 0.249474 0.62492 ] [ 0.635553 0.250526 0.12492 ] [ 0.364447 0.750526 0.37508 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.33865037524 "source-unit" "angstrom" } "b" { "source-value" 4.20079832 "source-unit" "angstrom" } "c" { "source-value" 8.38955212496 "source-unit" "angstrom" } "beta" { "source-value" 90.0330278808 "source-unit" "degree" } }