{ "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" [ [ 0.847842 0.723085 0.75226 ] [ 0.152158 0.223085 0.74774 ] [ 0.847842 0.776915 0.25226 ] [ 0.152158 0.276915 0.24774 ] [ 0.323493 0.980235 0.099669 ] [ 0.676507 0.480235 0.400331 ] [ 0.323493 0.519765 0.599669 ] [ 0.676507 0.019765 0.900331 ] [ 0.237882 0.666981 0.173761 ] [ 0.762118 0.166981 0.326239 ] [ 0.237882 0.833019 0.673761 ] [ 0.762118 0.333019 0.826239 ] [ 0.028829 0.791067 0.069991 ] [ 0.777067 0.47125 0.714695 ] [ 0.478768 0.688546 0.176307 ] [ 0.521232 0.188546 0.323693 ] [ 0.971171 0.291067 0.430009 ] [ 0.777067 0.02875 0.214695 ] [ 0.222933 0.97125 0.785305 ] [ 0.028829 0.708933 0.569991 ] [ 0.478768 0.811454 0.676307 ] [ 0.521232 0.311454 0.823693 ] [ 0.222933 0.52875 0.285305 ] [ 0.971171 0.208933 0.930009 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "B" "B" "B" "B" "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" 5.77756497 "source-unit" "angstrom" } "b" { "source-value" 7.64943029 "source-unit" "angstrom" } "c" { "source-value" 7.53965966 "source-unit" "angstrom" } "beta" { "source-value" 122.90669375 "source-unit" "degree" } }