{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.868246 0 0.614778 ] [ 0.613357 0 0.857865 ] [ 0.366934 0.5 0.595435 ] [ 0.38884 0 0.141164 ] [ 0.12678 0.5 0.867654 ] [ 0.871525 0.5 0.13946 ] [ 0.993595 0 0.986759 ] [ 0.503212 0 0.492034 ] [ 0.498182 0.5 0.995997 ] [ 0.997329 0.5 0.492854 ] ] } "species" { "source-value" [ "Fe" "Cu" "Cu" "Cu" "Cu" "Cu" "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" 6.62904965 "source-unit" "angstrom" } "b" { "source-value" 3.80627396 "source-unit" "angstrom" } "c" { "source-value" 6.75835664 "source-unit" "angstrom" } "beta" { "source-value" 109.34472427 "source-unit" "degree" } }