{ "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" [ [ 0.999701 0.321555 0.416869 ] [ 0.999701 0.178445 0.916869 ] [ 0.755378 0.829821 0.335703 ] [ 0.755378 0.670179 0.835703 ] [ 0.244622 0.329821 0.164297 ] [ 0.244622 0.170179 0.664297 ] [ 0.000299 0.821555 0.083131 ] [ 0.000299 0.678445 0.583131 ] [ 0.499378 0.828142 0.09032 ] [ 0.499378 0.671858 0.59032 ] [ 0.500622 0.328142 0.40968 ] [ 0.500622 0.171858 0.90968 ] [ 0.761361 0.330315 0.166541 ] [ 0.761361 0.169685 0.666541 ] [ 0.238639 0.830315 0.333459 ] [ 0.238639 0.669685 0.833459 ] [ 0.993819 0.207496 0.096893 ] [ 0.993819 0.292504 0.596893 ] [ 0.725253 0.701418 0.15599 ] [ 0.725253 0.798582 0.65599 ] [ 0.724148 0.21836 0.335393 ] [ 0.724148 0.28164 0.835393 ] [ 0.513239 0.185757 0.078076 ] [ 0.513239 0.314243 0.578076 ] [ 0.486761 0.685757 0.421924 ] [ 0.486761 0.814243 0.921924 ] [ 0.275852 0.71836 0.164607 ] [ 0.275852 0.78164 0.664607 ] [ 0.274747 0.201418 0.34401 ] [ 0.274747 0.298582 0.84401 ] [ 0.006181 0.707496 0.403107 ] [ 0.006181 0.792504 0.903107 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Al" "Al" "Al" "Al" "Fe" "Fe" "Fe" "Fe" "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" 6.47952437 "source-unit" "angstrom" } "b" { "source-value" 5.13735952 "source-unit" "angstrom" } "c" { "source-value" 10.82700885 "source-unit" "angstrom" } "beta" { "source-value" 90.04577755 "source-unit" "degree" } }