{ "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" [ [ 0.177329 0.231262 0.366532 ] [ 0.822671 0.731262 0.633468 ] [ 0.540299 0.419079 0.041631 ] [ 0.459701 0.919079 0.958369 ] [ 0.797161 0.22247 0.773978 ] [ 0.202839 0.72247 0.226022 ] [ 0.584623 0.248654 0.111424 ] [ 0.415377 0.748654 0.888576 ] [ 0.764403 0.297069 0.604598 ] [ 0.235597 0.797069 0.395402 ] ] } "species" { "source-value" [ "Cu" "Cu" "H" "H" "H" "H" "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" 2.9779074114 "source-unit" "angstrom" } "b" { "source-value" 5.40087773 "source-unit" "angstrom" } "c" { "source-value" 5.3800815742 "source-unit" "angstrom" } "beta" { "source-value" 101.804019876 "source-unit" "degree" } }