{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2" } "basis-atom-coordinates" { "source-value" [ [ 0 0.997497 0 ] [ 0.5 0.497497 0 ] [ 0 0.407375 0.5 ] [ 0.5 0.907375 0.5 ] [ 0.821541 0.692344 0.595341 ] [ 0.178459 0.692344 0.404659 ] [ 0.321541 0.192344 0.595341 ] [ 0.678459 0.192344 0.404659 ] [ 0 0.761766 0.5 ] [ 0.716267 0.048755 0.46695 ] [ 0.283733 0.048755 0.53305 ] [ 0.18885 0.272188 0.754142 ] [ 0.81115 0.272188 0.245858 ] [ 0.5 0.261766 0.5 ] [ 0.216267 0.548755 0.46695 ] [ 0.783733 0.548755 0.53305 ] [ 0.68885 0.772188 0.754142 ] [ 0.31115 0.772188 0.245858 ] ] } "species" { "source-value" [ "Ba" "Ba" "Cu" "Cu" "B" "B" "B" "B" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.53214210604 "source-unit" "angstrom" } "b" { "source-value" 9.25467767233 "source-unit" "angstrom" } "c" { "source-value" 4.11280060779 "source-unit" "angstrom" } "beta" { "source-value" 96.4764932361 "source-unit" "degree" } }