{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.328774 0 0.894265 ] [ 0.005526 0 0.992503 ] [ 0.005196 0 0.494313 ] [ 0.663322 0 0.400823 ] [ 0.828774 0.5 0.894265 ] [ 0.505526 0.5 0.992503 ] [ 0.505196 0.5 0.494313 ] [ 0.163322 0.5 0.400823 ] [ 0.913515 0.745185 0.21258 ] [ 0.913515 0.254815 0.21258 ] [ 0.83058 0 0.713351 ] [ 0.413515 0.245185 0.21258 ] [ 0.413515 0.754815 0.21258 ] [ 0.33058 0.5 0.713351 ] [ 0.333036 0 0.485723 ] [ 0.663207 0 0.981987 ] [ 0.833036 0.5 0.485723 ] [ 0.163207 0.5 0.981987 ] [ 0.171908 0 0.210868 ] [ 0.08495 0.742634 0.712573 ] [ 0.08495 0.257366 0.712573 ] [ 0.671908 0.5 0.210868 ] [ 0.58495 0.242634 0.712573 ] [ 0.58495 0.757366 0.712573 ] [ 0.916827 0.748191 0.5978 ] [ 0.476882 0 0.349007 ] [ 0.329162 0 0.103013 ] [ 0.00752 0 0.301497 ] [ 0.008817 0 0.799817 ] [ 0.916827 0.251809 0.5978 ] [ 0.260415 0.219481 0.350961 ] [ 0.260415 0.780519 0.350961 ] [ 0.829796 0 0.09573 ] [ 0.173881 0 0.595731 ] [ 0.735147 0.217258 0.847198 ] [ 0.735147 0.782742 0.847198 ] [ 0.659479 0 0.609461 ] [ 0.083514 0.740845 0.094827 ] [ 0.517593 0 0.847976 ] [ 0.083514 0.259155 0.094827 ] [ 0.416827 0.248191 0.5978 ] [ 0.976882 0.5 0.349007 ] [ 0.829162 0.5 0.103013 ] [ 0.50752 0.5 0.301497 ] [ 0.508817 0.5 0.799817 ] [ 0.416827 0.751809 0.5978 ] [ 0.760415 0.719481 0.350961 ] [ 0.760415 0.280519 0.350961 ] [ 0.329796 0.5 0.09573 ] [ 0.673881 0.5 0.595731 ] [ 0.235147 0.717258 0.847198 ] [ 0.235147 0.282742 0.847198 ] [ 0.159479 0.5 0.609461 ] [ 0.583514 0.240845 0.094827 ] [ 0.017593 0.5 0.847976 ] [ 0.583514 0.759155 0.094827 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Co" "Co" "Co" "Co" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 10.05502975 "source-unit" "angstrom" } "b" { "source-value" 5.83680687 "source-unit" "angstrom" } "c" { "source-value" 9.28840424 "source-unit" "angstrom" } "beta" { "source-value" 90.2932529 "source-unit" "degree" } }