{ "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 0.233788 0 ] [ 0 0.698156 0 ] [ 0.791607 0.129123 0.625769 ] [ 0.208393 0.129123 0.374231 ] [ 0.5 0.733788 0 ] [ 0.5 0.198156 0 ] [ 0.291607 0.629123 0.625769 ] [ 0.708393 0.629123 0.374231 ] [ 0 0.061987 0 ] [ 0 0.594756 0.5 ] [ 0.5 0.561987 0 ] [ 0.5 0.094756 0.5 ] [ 0 0.537203 0 ] [ 0.175022 0.727579 0.537525 ] [ 0.824978 0.727579 0.462475 ] [ 0.5 0.037203 0 ] [ 0.675022 0.227579 0.537525 ] [ 0.324978 0.227579 0.462475 ] ] } "species" { "source-value" [ "H" "H" "H" "H" "H" "H" "H" "H" "N" "N" "N" "N" "O" "O" "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" 6.0040187508 "source-unit" "angstrom" } "b" { "source-value" 6.14389959987 "source-unit" "angstrom" } "c" { "source-value" 4.59517649623 "source-unit" "angstrom" } "beta" { "source-value" 92.9177685059 "source-unit" "degree" } }