{ "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" [ [ 0.879703 0.213605 0.278599 ] [ 0.379703 0.286395 0.778599 ] [ 0.120297 0.786395 0.721401 ] [ 0.120272 0.646924 0.081376 ] [ 0.379728 0.146924 0.418624 ] [ 0.879728 0.353076 0.918624 ] [ 0.620272 0.853076 0.581376 ] [ 0.248218 0.52692 0.456964 ] [ 0.251782 0.02692 0.043036 ] [ 0.751782 0.47308 0.543036 ] [ 0.748218 0.97308 0.956964 ] [ 0.620297 0.713605 0.221401 ] [ 0.550693 0.638702 0.872086 ] [ 0.050693 0.861298 0.372086 ] [ 0.449307 0.361298 0.127914 ] [ 0.949307 0.138702 0.627914 ] [ 0.928221 0.712094 0.435087 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.954574 0.91618 0.20941 ] [ 0.571779 0.212094 0.064913 ] [ 0.071779 0.287906 0.564913 ] [ 0.428221 0.787906 0.935087 ] [ 0.805358 0.66055 0.873168 ] [ 0.694642 0.16055 0.626832 ] [ 0.194642 0.33945 0.126832 ] [ 0.305358 0.83945 0.373168 ] [ 0.454574 0.58382 0.70941 ] [ 0.045426 0.08382 0.79059 ] [ 0.545426 0.41618 0.29059 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Ge" "Ge" "Ge" "Ge" "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" 6.93705539293 "source-unit" "angstrom" } "b" { "source-value" 9.56561477 "source-unit" "angstrom" } "c" { "source-value" 9.67638154323 "source-unit" "angstrom" } "beta" { "source-value" 91.5784213082 "source-unit" "degree" } }