{ "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" [ [ 0.152795 0.56892 0.814099 ] [ 0.152795 0.93108 0.314099 ] [ 0.345474 0.006785 0.63245 ] [ 0.654526 0.506785 0.86755 ] [ 0.345474 0.493215 0.13245 ] [ 0.654526 0.993215 0.36755 ] [ 0.847205 0.06892 0.685901 ] [ 0.847205 0.43108 0.185901 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0 ] [ 0.00884 0.761317 0.618887 ] [ 0.250983 0.869345 0.00005 ] [ 0.11345 0.286715 0.641823 ] [ 0.392989 0.30698 0.9263 ] [ 0.00884 0.738683 0.118887 ] [ 0.250983 0.630655 0.50005 ] [ 0.11345 0.213285 0.141823 ] [ 0.447019 0.843841 0.83366 ] [ 0.392989 0.19302 0.4263 ] [ 0.552981 0.343841 0.66634 ] [ 0.447019 0.656159 0.33366 ] [ 0.607011 0.80698 0.5737 ] [ 0.552981 0.156159 0.16634 ] [ 0.88655 0.786715 0.858177 ] [ 0.749017 0.369345 0.49995 ] [ 0.99116 0.261317 0.881113 ] [ 0.607011 0.69302 0.0737 ] [ 0.88655 0.713285 0.358177 ] [ 0.749017 0.130655 0.99995 ] [ 0.99116 0.238683 0.381113 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "W" "W" "W" "W" "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" 7.55072701 "source-unit" "angstrom" } "b" { "source-value" 5.37419599 "source-unit" "angstrom" } "c" { "source-value" 11.19725609 "source-unit" "angstrom" } "beta" { "source-value" 108.53600751 "source-unit" "degree" } }