{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0 ] [ 0 0 0 ] [ 0.314434 0.25 0.524271 ] [ 0.685566 0.75 0.475729 ] [ 0.262841 0.556171 0.412933 ] [ 0.737159 0.056171 0.587067 ] [ 0.737159 0.443829 0.587067 ] [ 0.262841 0.943829 0.412933 ] [ 0.669829 0.25 0.199496 ] [ 0.330171 0.75 0.800504 ] [ 0.555292 0.25 0.952442 ] [ 0.444708 0.75 0.047558 ] [ 0.197585 0.43199 0.356314 ] [ 0.802415 0.93199 0.643686 ] [ 0.802415 0.56801 0.643686 ] [ 0.197585 0.06801 0.356314 ] [ 0.229601 0.25 0.793433 ] [ 0.770399 0.75 0.206567 ] [ 0.618218 0.25 0.500515 ] [ 0.381782 0.75 0.499485 ] [ 0.709998 0.25 0.03742 ] [ 0.290002 0.75 0.96258 ] ] } "species" { "source-value" [ "Na" "Na" "As" "As" "H" "H" "H" "H" "H" "H" "H" "H" "O" "O" "O" "O" "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" 5.63177708 "source-unit" "angstrom" } "b" { "source-value" 7.22273832 "source-unit" "angstrom" } "c" { "source-value" 5.91831971 "source-unit" "angstrom" } "beta" { "source-value" 92.50687332 "source-unit" "degree" } }