{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.631905 0 ] [ 0.75 0.368095 0 ] [ 0.25 0.38615 0.5 ] [ 0.25 0.879542 0.5 ] [ 0.75 0.61385 0.5 ] [ 0.75 0.120458 0.5 ] [ 0.25 0.154858 0 ] [ 0.75 0.845142 0 ] [ 0.025249 0.356188 0.762791 ] [ 0.489644 0.105532 0.783794 ] [ 0.525249 0.643812 0.762791 ] [ 0.989644 0.894468 0.783794 ] [ 0.010356 0.105532 0.216206 ] [ 0.474751 0.356188 0.237209 ] [ 0.510356 0.894468 0.216206 ] [ 0.974751 0.643812 0.237209 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Cr" "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" 4.95354451 "source-unit" "angstrom" } "b" { "source-value" 5.83664552 "source-unit" "angstrom" } "c" { "source-value" 5.09157832 "source-unit" "angstrom" } "beta" { "source-value" 109.94991936 "source-unit" "degree" } }