{ "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" [ [ 0.216199 0.25 0.267582 ] [ 0.761574 0.25 0.777812 ] [ 0.783801 0.75 0.732418 ] [ 0.238426 0.75 0.222188 ] [ 0.895816 0.25 0.305928 ] [ 0.315703 0.75 0.588954 ] [ 0.4193 0.75 0.806859 ] [ 0.5807 0.25 0.193141 ] [ 0.104184 0.75 0.694072 ] [ 0.796992 0.25 0.096921 ] [ 0.203008 0.75 0.903079 ] [ 0.684297 0.25 0.411046 ] [ 0.385224 0.75 0.400336 ] [ 0.614776 0.25 0.599664 ] [ 0.607075 0.75 0.880287 ] [ 0.392925 0.25 0.119713 ] [ 0.088812 0.25 0.384065 ] [ 0.877863 0.25 0.90562 ] [ 0.122137 0.75 0.09438 ] [ 0.911188 0.75 0.615935 ] ] } "species" { "source-value" [ "H" "H" "H" "H" "C" "C" "C" "C" "C" "C" "C" "C" "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" 6.19314427644 "source-unit" "angstrom" } "b" { "source-value" 5.76917186 "source-unit" "angstrom" } "c" { "source-value" 6.2067276343 "source-unit" "angstrom" } "beta" { "source-value" 90.1101307923 "source-unit" "degree" } }