{ "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 0.977178 0 ] [ 0.5 0.477178 0 ] [ 0.207514 0.381589 0.43048 ] [ 0.792486 0.381589 0.56952 ] [ 0.707514 0.881589 0.43048 ] [ 0.292486 0.881589 0.56952 ] [ 0.193394 0.471752 0.235949 ] [ 0.806606 0.471752 0.764051 ] [ 0.693394 0.971752 0.235949 ] [ 0.306606 0.971752 0.764051 ] ] } "species" { "source-value" [ "Cd" "Cd" "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" 6.23763715979 "source-unit" "angstrom" } "b" { "source-value" 3.53838218161 "source-unit" "angstrom" } "c" { "source-value" 4.80522540541 "source-unit" "angstrom" } "beta" { "source-value" 95.1171096007 "source-unit" "degree" } }