{ "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 0.976324 0 ] [ 0.5 0.476324 0 ] [ 0.204782 0.37712 0.4122 ] [ 0.795218 0.37712 0.5878 ] [ 0.704782 0.87712 0.4122 ] [ 0.295218 0.87712 0.5878 ] [ 0.186484 0.484016 0.232924 ] [ 0.813516 0.484016 0.767076 ] [ 0.686484 0.984016 0.232924 ] [ 0.313516 0.984016 0.767076 ] ] } "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" 6.32979878317 "source-unit" "angstrom" } "b" { "source-value" 3.5665514198 "source-unit" "angstrom" } "c" { "source-value" 5.02260936894 "source-unit" "angstrom" } "beta" { "source-value" 95.2052211294 "source-unit" "degree" } }