{ "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" [ [ 0.762875 0.25 0.082978 ] [ 0.255758 0.001872 0.260337 ] [ 0.255758 0.498128 0.260337 ] [ 0.744242 0.501872 0.739663 ] [ 0.744242 0.998128 0.739663 ] [ 0.237125 0.75 0.917022 ] [ 0.778035 0.75 0.371596 ] [ 0.221965 0.25 0.628404 ] [ 0.709444 0.25 0.41755 ] [ 0.290556 0.75 0.58245 ] [ 0.737951 0.75 0.073175 ] [ 0.262049 0.25 0.926825 ] [ 0.26822 0.25 0.057675 ] [ 0.943396 0.75 0.137528 ] [ 0.54026 0.75 0.138807 ] [ 0.769971 0.077675 0.333992 ] [ 0.769971 0.422325 0.333992 ] [ 0.434268 0.25 0.445755 ] [ 0.148312 0.75 0.445041 ] [ 0.851688 0.25 0.554959 ] [ 0.565732 0.75 0.554245 ] [ 0.230029 0.577675 0.666008 ] [ 0.230029 0.922325 0.666008 ] [ 0.45974 0.25 0.861193 ] [ 0.056604 0.25 0.862472 ] [ 0.73178 0.75 0.942325 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "Ge" "Ge" "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" 5.59845093 "source-unit" "angstrom" } "b" { "source-value" 7.34457176 "source-unit" "angstrom" } "c" { "source-value" 10.00529601 "source-unit" "angstrom" } "beta" { "source-value" 91.37319052 "source-unit" "degree" } }