{ "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" [ [ 0.975595 0.5 0.2994 ] [ 0.024405 0.5 0.7006 ] [ 0.475595 0 0.2994 ] [ 0.524405 0 0.7006 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.756973 0.5 0.703362 ] [ 0.243027 0.5 0.296638 ] [ 0.256973 0 0.703362 ] [ 0.743027 0 0.296638 ] [ 0.826334 0.5 0.936534 ] [ 0.83859 0 0.694482 ] [ 0.173666 0.5 0.063466 ] [ 0 0 0.5 ] [ 0.16141 0 0.305518 ] [ 0.326334 0 0.936534 ] [ 0.33859 0.5 0.694482 ] [ 0.673666 0 0.063466 ] [ 0.5 0.5 0.5 ] [ 0.66141 0.5 0.305518 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "U" "U" "Cu" "Cu" "Cu" "Cu" "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" 13.7221560794 "source-unit" "angstrom" } "b" { "source-value" 4.07365248727 "source-unit" "angstrom" } "c" { "source-value" 12.7701209199 "source-unit" "angstrom" } "beta" { "source-value" 138.709068395 "source-unit" "degree" } }