{ "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" [ [ 0.347599 0 0.267437 ] [ 0.652401 0 0.732563 ] [ 0 0 0.5 ] [ 0.847599 0.5 0.267437 ] [ 0.152401 0.5 0.732563 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.036172 0.245193 0.725905 ] [ 0.228503 0 0.057806 ] [ 0.036172 0.754807 0.725905 ] [ 0.766268 0 0.53555 ] [ 0.963828 0.245193 0.274095 ] [ 0.233732 0 0.46445 ] [ 0.963828 0.754807 0.274095 ] [ 0.771497 0 0.942194 ] [ 0.536172 0.745193 0.725905 ] [ 0.728503 0.5 0.057806 ] [ 0.536172 0.254807 0.725905 ] [ 0.266268 0.5 0.53555 ] [ 0.463828 0.745193 0.274095 ] [ 0.733732 0.5 0.46445 ] [ 0.463828 0.254807 0.274095 ] [ 0.271497 0.5 0.942194 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cu" "Cu" "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" 8.37232335657 "source-unit" "angstrom" } "b" { "source-value" 5.56477870194 "source-unit" "angstrom" } "c" { "source-value" 6.57646692357 "source-unit" "angstrom" } "beta" { "source-value" 94.093676312 "source-unit" "degree" } }