{ "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" [ [ 0.263527 0.244515 0.094828 ] [ 0.736473 0.744515 0.905172 ] [ 0.452549 0.25889 0.673568 ] [ 0.547451 0.75889 0.326432 ] [ 0.804317 0.591772 0.418661 ] [ 0.195683 0.091772 0.581339 ] [ 0.710296 0.023988 0.37724 ] [ 0.289704 0.523988 0.62276 ] [ 0.822587 0.549993 0.082812 ] [ 0.177413 0.049993 0.917188 ] [ 0.714343 0.010344 0.032404 ] [ 0.285657 0.510344 0.967596 ] [ 0.654361 0.939566 0.716434 ] [ 0.345639 0.439566 0.283566 ] [ 0.761466 0.47093 0.770931 ] [ 0.238534 0.97093 0.229069 ] ] } "species" { "source-value" [ "Au" "Au" "Br" "Br" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.60352199921 "source-unit" "angstrom" } "b" { "source-value" 5.79034117 "source-unit" "angstrom" } "c" { "source-value" 9.03494717423 "source-unit" "angstrom" } "beta" { "source-value" 101.76180456 "source-unit" "degree" } }