{ "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" [ [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.281391 0.795238 0.606822 ] [ 0.218609 0.295238 0.393178 ] [ 0.718609 0.204762 0.393178 ] [ 0.781391 0.704762 0.606822 ] [ 0.367249 0.610321 0.646739 ] [ 0.132751 0.110321 0.353261 ] [ 0.632751 0.389679 0.353261 ] [ 0.867249 0.889679 0.646739 ] [ 0.362916 0.821664 0.106145 ] [ 0.137084 0.321664 0.893855 ] [ 0.637084 0.178336 0.893855 ] [ 0.862916 0.678336 0.106145 ] ] } "species" { "source-value" [ "Te" "Te" "H" "H" "H" "H" "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" 5.38621877156 "source-unit" "angstrom" } "b" { "source-value" 4.89420296 "source-unit" "angstrom" } "c" { "source-value" 5.88475655808 "source-unit" "angstrom" } "beta" { "source-value" 116.94729834 "source-unit" "degree" } }