{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2" } "basis-atom-coordinates" { "source-value" [ [ 0 0.765239 0 ] [ 0 0.249504 0.5 ] [ 0.5 0.265239 0 ] [ 0.5 0.749504 0.5 ] [ 0.705541 0.099851 0.482694 ] [ 0.704139 0.904573 0.987949 ] [ 0.294459 0.099851 0.517306 ] [ 0.295861 0.904573 0.012051 ] [ 0.205541 0.599851 0.482694 ] [ 0.204139 0.404573 0.987949 ] [ 0.794459 0.599851 0.517306 ] [ 0.795861 0.404573 0.012051 ] [ 0 0.916968 0.5 ] [ 0.5 0.416968 0.5 ] [ 0 0.097695 0 ] [ 0.5 0.597695 0 ] [ 0.890838 0.08645 0.583016 ] [ 0.127247 0.772827 0.419357 ] [ 0.887751 0.904514 0.124407 ] [ 0.644653 0.986793 0.691977 ] [ 0.872753 0.772827 0.580643 ] [ 0.634037 0.00058 0.180951 ] [ 0.355347 0.986793 0.308023 ] [ 0.140085 0.229708 0.937476 ] [ 0.365963 0.00058 0.819049 ] [ 0.109162 0.08645 0.416984 ] [ 0.859915 0.229708 0.062524 ] [ 0.112249 0.904514 0.875593 ] [ 0.390838 0.58645 0.583016 ] [ 0.627247 0.272827 0.419357 ] [ 0.387751 0.404514 0.124407 ] [ 0.144653 0.486793 0.691977 ] [ 0.372753 0.272827 0.580643 ] [ 0.134037 0.50058 0.180951 ] [ 0.855347 0.486793 0.308023 ] [ 0.640085 0.729708 0.937476 ] [ 0.865963 0.50058 0.819049 ] [ 0.609162 0.58645 0.416984 ] [ 0.359915 0.729708 0.062524 ] [ 0.612249 0.404514 0.875593 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "V" "V" "V" "V" "V" "V" "V" "Cr" "Cr" "Cu" "Cu" "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" 10.33011125 "source-unit" "angstrom" } "b" { "source-value" 9.07241708 "source-unit" "angstrom" } "c" { "source-value" 5.81327855 "source-unit" "angstrom" } "beta" { "source-value" 111.14044076 "source-unit" "degree" } }