{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.270931 0.24611 0.562782 ] [ 0.770931 0.25389 0.062782 ] [ 0.729069 0.75389 0.437218 ] [ 0.229069 0.74611 0.937218 ] [ 0.806735 0.351254 0.73573 ] [ 0.306735 0.148746 0.23573 ] [ 0.193265 0.648746 0.26427 ] [ 0.693265 0.851254 0.76427 ] [ 0.936243 0.234549 0.712898 ] [ 0.436243 0.265451 0.212898 ] [ 0.063757 0.765451 0.287102 ] [ 0.563757 0.734549 0.787102 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "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" 5.99113828993 "source-unit" "angstrom" } "b" { "source-value" 3.97908657 "source-unit" "angstrom" } "c" { "source-value" 7.8984982806 "source-unit" "angstrom" } "beta" { "source-value" 110.75410494 "source-unit" "degree" } }