{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.791708 0.75 ] [ 0 0.208292 0.25 ] [ 0.497424 0.82767 0.865389 ] [ 0.502576 0.82767 0.634611 ] [ 0.497424 0.17233 0.365389 ] [ 0.502576 0.17233 0.134611 ] [ 0.234288 0.315675 0.563319 ] [ 0.234288 0.684325 0.063319 ] [ 0.765712 0.315675 0.936681 ] [ 0.765712 0.684325 0.436681 ] [ 0.1966 0.182188 0.957662 ] [ 0.1966 0.817812 0.457662 ] [ 0.5 0.332767 0.75 ] [ 0.5 0.667233 0.25 ] [ 0.8034 0.182188 0.542338 ] [ 0.8034 0.817812 0.042338 ] [ 0.046028 0.296831 0.894963 ] [ 0.046028 0.703169 0.394963 ] [ 0.242575 0.914832 0.947372 ] [ 0.242575 0.085168 0.447372 ] [ 0.300372 0.674091 0.533067 ] [ 0.300372 0.325909 0.033067 ] [ 0.402527 0.181602 0.672009 ] [ 0.402527 0.818398 0.172009 ] [ 0.5 0.598236 0.75 ] [ 0.5 0.401764 0.25 ] [ 0.597473 0.181602 0.827991 ] [ 0.597473 0.818398 0.327991 ] [ 0.699628 0.674091 0.966933 ] [ 0.699628 0.325909 0.466933 ] [ 0.757425 0.914832 0.552628 ] [ 0.757425 0.085168 0.052628 ] [ 0.953972 0.296831 0.605037 ] [ 0.953972 0.703169 0.105037 ] ] } "species" { "source-value" [ "Rb" "Rb" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "B" "B" "B" "B" "B" "B" "O" "O" "O" "O" "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" 6.44630363 "source-unit" "angstrom" } "b" { "source-value" 5.08282063 "source-unit" "angstrom" } "c" { "source-value" 13.0587799 "source-unit" "angstrom" } "beta" { "source-value" 91.39095144 "source-unit" "degree" } }