{ "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" [ [ 0.135859 0 0.568888 ] [ 0.864141 0 0.431112 ] [ 0.635859 0.5 0.568888 ] [ 0.364141 0.5 0.431112 ] [ 0.836179 0 0.919562 ] [ 0.163821 0 0.080438 ] [ 0.336179 0.5 0.919562 ] [ 0.663821 0.5 0.080438 ] [ 0.985375 0.5 0.791313 ] [ 0.014625 0.5 0.208687 ] [ 0.485375 0 0.791313 ] [ 0.514625 0 0.208687 ] [ 0.174716 0.5 0.870561 ] [ 0.825284 0.5 0.129439 ] [ 0.175962 0.5 0.299084 ] [ 0.824038 0.5 0.700916 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.674716 0 0.870561 ] [ 0.325284 0 0.129439 ] [ 0.675962 0 0.299084 ] [ 0.324038 0 0.700916 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Er" "Er" "Er" "Er" "Ag" "Ag" "Ag" "Ag" "S" "S" "S" "S" "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" 17.5337927658 "source-unit" "angstrom" } "b" { "source-value" 4.05828418504 "source-unit" "angstrom" } "c" { "source-value" 8.6032464738 "source-unit" "angstrom" } "beta" { "source-value" 103.009348783 "source-unit" "degree" } }