{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.277378 0.500937 0.068059 ] [ 0.722622 0.000937 0.931941 ] [ 0.22989 0.519126 0.54993 ] [ 0.77011 0.019126 0.45007 ] [ 0.783618 0.489158 0.68104 ] [ 0.216382 0.989158 0.31896 ] [ 0.598152 0.44944 0.438509 ] [ 0.401848 0.94944 0.561491 ] [ 0.413314 0.989982 0.16862 ] [ 0.586686 0.489982 0.83138 ] [ 0.977915 0.750933 0.712149 ] [ 0.022085 0.250933 0.287851 ] [ 0.98727 0.753425 0.272675 ] [ 0.01273 0.253425 0.727325 ] ] } "species" { "source-value" [ "K" "K" "Ce" "Ce" "Si" "Si" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.57542190303 "source-unit" "angstrom" } "b" { "source-value" 6.70026807 "source-unit" "angstrom" } "c" { "source-value" 8.8250658282 "source-unit" "angstrom" } "beta" { "source-value" 107.237300051 "source-unit" "degree" } }