{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.25 0.5 ] [ 0.75 0.75 0.5 ] [ 0.25 0.75 0.5 ] [ 0.25 0.25 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.580653 0 0.759412 ] [ 0.419347 0 0.240588 ] [ 0.080653 0.5 0.759412 ] [ 0.919347 0.5 0.240588 ] [ 0.005336 0.291206 0.760716 ] [ 0.005336 0.708794 0.760716 ] [ 0.728193 0 0.733629 ] [ 0.271807 0 0.266371 ] [ 0.994664 0.291206 0.239284 ] [ 0.994664 0.708794 0.239284 ] [ 0.505336 0.791206 0.760716 ] [ 0.505336 0.208794 0.760716 ] [ 0.228193 0.5 0.733629 ] [ 0.771807 0.5 0.266371 ] [ 0.494664 0.791206 0.239284 ] [ 0.494664 0.208794 0.239284 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "C" "C" "C" "C" "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" 8.38913654 "source-unit" "angstrom" } "b" { "source-value" 5.39072473 "source-unit" "angstrom" } "c" { "source-value" 6.05656075 "source-unit" "angstrom" } "beta" { "source-value" 115.80251497 "source-unit" "degree" } }