{ "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" [ [ 0.780147 0.498537 0.209655 ] [ 0.219853 0.998537 0.790345 ] [ 0.204869 0.249439 0.332311 ] [ 0.795131 0.749439 0.667689 ] [ 0.279171 0.75432 0.430422 ] [ 0.720829 0.25432 0.569578 ] [ 0.275412 0.25004 0.067288 ] [ 0.724588 0.75004 0.932712 ] [ 0.688067 0.722653 0.066169 ] [ 0.047118 0.255778 0.123406 ] [ 0.460311 0.269951 0.177023 ] [ 0.200258 0.95452 0.308969 ] [ 0.171915 0.55038 0.317825 ] [ 0.856355 0.263107 0.400416 ] [ 0.607494 0.733426 0.471747 ] [ 0.392506 0.233426 0.528253 ] [ 0.143645 0.763107 0.599584 ] [ 0.828085 0.05038 0.682175 ] [ 0.799742 0.45452 0.691031 ] [ 0.539689 0.769951 0.822977 ] [ 0.952882 0.755778 0.876594 ] [ 0.311933 0.222653 0.933831 ] ] } "species" { "source-value" [ "Li" "Li" "Mn" "Mn" "As" "As" "C" "C" "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" 5.21530672 "source-unit" "angstrom" } "b" { "source-value" 6.41167108 "source-unit" "angstrom" } "c" { "source-value" 8.90729946 "source-unit" "angstrom" } "beta" { "source-value" 94.17845169 "source-unit" "degree" } }