{ "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" [ [ 0.743461 0.241166 0.964842 ] [ 0.256539 0.741166 0.535158 ] [ 0.256539 0.758834 0.035158 ] [ 0.743461 0.258834 0.464842 ] [ 0.246658 0.412945 0.21513 ] [ 0.753342 0.912945 0.28487 ] [ 0.753342 0.587055 0.78487 ] [ 0.246658 0.087055 0.71513 ] [ 0.753939 0.920255 0.762858 ] [ 0.753939 0.579745 0.262858 ] [ 0.246061 0.420255 0.737142 ] [ 0.246061 0.079745 0.237142 ] [ 0.27617 0.939386 0.313009 ] [ 0.96292 0.655196 0.219847 ] [ 0.72383 0.060614 0.686991 ] [ 0.423331 0.144955 0.130902 ] [ 0.576669 0.644955 0.369098 ] [ 0.423331 0.355045 0.630902 ] [ 0.576669 0.855045 0.869098 ] [ 0.27617 0.560614 0.813009 ] [ 0.03708 0.344804 0.780153 ] [ 0.03708 0.155196 0.280153 ] [ 0.96292 0.844804 0.719847 ] [ 0.72383 0.439386 0.186991 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Sr" "Sr" "Sr" "Sr" "B" "B" "B" "B" "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" 5.39326489764 "source-unit" "angstrom" } "b" { "source-value" 9.3374037 "source-unit" "angstrom" } "c" { "source-value" 6.12790275599 "source-unit" "angstrom" } "beta" { "source-value" 100.255494907 "source-unit" "degree" } }