{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.769878 0.465523 0.163305 ] [ 0.230122 0.965523 0.836695 ] [ 0.215451 0.256269 0.341114 ] [ 0.784549 0.756269 0.658886 ] [ 0.275709 0.253183 0.073438 ] [ 0.724291 0.753183 0.926562 ] [ 0.270563 0.755563 0.422456 ] [ 0.729437 0.255563 0.577544 ] [ 0.690632 0.721879 0.061083 ] [ 0.044058 0.259229 0.131839 ] [ 0.467648 0.276576 0.182114 ] [ 0.209401 0.940067 0.326266 ] [ 0.176246 0.572582 0.330002 ] [ 0.85933 0.263559 0.433715 ] [ 0.558316 0.737721 0.459623 ] [ 0.441684 0.237721 0.540377 ] [ 0.14067 0.763559 0.566285 ] [ 0.823754 0.072582 0.669998 ] [ 0.790599 0.440067 0.673734 ] [ 0.532352 0.776576 0.817886 ] [ 0.955942 0.759229 0.868161 ] [ 0.309368 0.221879 0.938917 ] ] } "species" { "source-value" [ "Li" "Li" "Cr" "Cr" "C" "C" "S" "S" "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" 5.13096734 "source-unit" "angstrom" } "b" { "source-value" 6.37376013 "source-unit" "angstrom" } "c" { "source-value" 8.87521809 "source-unit" "angstrom" } "beta" { "source-value" 94.24329953 "source-unit" "degree" } }