{ "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 0.043722 0 ] [ 0.5 0.543722 0 ] [ 0.788881 0.635095 0.584817 ] [ 0.211119 0.635095 0.415183 ] [ 0.288881 0.135095 0.584817 ] [ 0.711119 0.135095 0.415183 ] [ 0.808664 0.543552 0.769803 ] [ 0.191336 0.543552 0.230197 ] [ 0.308664 0.043552 0.769803 ] [ 0.691336 0.043552 0.230197 ] ] } "species" { "source-value" [ "Ca" "Ca" "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" 6.31155638505 "source-unit" "angstrom" } "b" { "source-value" 3.60241647809 "source-unit" "angstrom" } "c" { "source-value" 4.99532978917 "source-unit" "angstrom" } "beta" { "source-value" 97.150635865 "source-unit" "degree" } }