{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.777124 0.606686 0.194367 ] [ 0.222876 0.106686 0.805633 ] [ 0.219005 0.220098 0.358429 ] [ 0.780995 0.720098 0.641571 ] [ 0.274447 0.723481 0.44353 ] [ 0.725553 0.223481 0.55647 ] [ 0.292001 0.26588 0.125787 ] [ 0.707999 0.76588 0.874213 ] [ 0.671595 0.799918 0.986577 ] [ 0.063547 0.244839 0.175195 ] [ 0.478364 0.25071 0.215284 ] [ 0.210188 0.90666 0.356994 ] [ 0.199441 0.539059 0.360977 ] [ 0.865737 0.227913 0.431658 ] [ 0.562978 0.716907 0.476342 ] [ 0.437022 0.216907 0.523658 ] [ 0.134263 0.727913 0.568342 ] [ 0.800559 0.039059 0.639023 ] [ 0.789812 0.40666 0.643006 ] [ 0.521636 0.75071 0.784716 ] [ 0.936453 0.744839 0.824805 ] [ 0.328405 0.299918 0.013423 ] ] } "species" { "source-value" [ "K" "K" "Sn" "Sn" "P" "P" "C" "C" "O" "O" "O" "O" "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" 5.31685902 "source-unit" "angstrom" } "b" { "source-value" 6.58253982 "source-unit" "angstrom" } "c" { "source-value" 10.62040516 "source-unit" "angstrom" } "beta" { "source-value" 91.93197681 "source-unit" "degree" } }