{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc" } "basis-atom-coordinates" { "source-value" [ [ 0.497088 0.561033 0.995029 ] [ 0.497088 0.438967 0.495029 ] [ 0.498866 0.057998 0.757796 ] [ 0.001579 0.453249 0.241775 ] [ 0.001579 0.546751 0.741775 ] [ 0.498866 0.942002 0.257796 ] [ 0.745998 0.543097 0.870478 ] [ 0.249792 0.955861 0.378402 ] [ 0.249792 0.044139 0.878402 ] [ 0.745998 0.456903 0.370478 ] [ 0.709051 0.837215 0.824495 ] [ 0.259568 0.657026 0.356331 ] [ 0.579175 0.389103 0.721989 ] [ 0.420284 0.913233 0.886927 ] [ 0.067552 0.069893 0.240234 ] [ 0.739994 0.48322 0.018047 ] [ 0.067552 0.930107 0.740234 ] [ 0.278805 0.023773 0.540861 ] [ 0.929765 0.535168 0.399493 ] [ 0.259568 0.342974 0.856331 ] [ 0.579175 0.610897 0.221989 ] [ 0.278805 0.976227 0.040861 ] [ 0.709051 0.162785 0.324495 ] [ 0.739994 0.51678 0.518047 ] [ 0.929765 0.464832 0.899493 ] [ 0.420284 0.086767 0.386927 ] ] } "species" { "source-value" [ "Li" "Li" "Mn" "Mn" "Mn" "Mn" "P" "P" "P" "P" "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" 8.78362078 "source-unit" "angstrom" } "b" { "source-value" 5.11706224 "source-unit" "angstrom" } "c" { "source-value" 10.09603735 "source-unit" "angstrom" } "beta" { "source-value" 124.5225585 "source-unit" "degree" } }