{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mbm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0 ] [ 0.272104 0.543123 0.5 ] [ 0.727896 0.456877 0.5 ] [ 0.543123 0.727896 0.5 ] [ 0.772104 0.956877 0.5 ] [ 0.227896 0.043123 0.5 ] [ 0.956877 0.227896 0.5 ] [ 0.456877 0.272104 0.5 ] [ 0.5 0 0 ] [ 0.043123 0.772104 0.5 ] [ 0.203041 0.296959 0 ] [ 0.703041 0.203041 0 ] [ 0.296959 0.796959 0 ] [ 0.5 0.5 0 ] [ 0.796959 0.703041 0 ] [ 0 0 0 ] [ 0.347569 0.402642 0 ] [ 0.616276 0.116276 0.5 ] [ 0.902642 0.847569 0 ] [ 0.653377 0.846623 0 ] [ 0.346623 0.153377 0 ] [ 0.116276 0.383724 0.5 ] [ 0.152431 0.902642 0 ] [ 0.846623 0.346623 0 ] [ 0.652431 0.597358 0 ] [ 0.597358 0.347569 0 ] [ 0.883724 0.616276 0.5 ] [ 0.847569 0.097358 0 ] [ 0.383724 0.883724 0.5 ] [ 0.153377 0.653377 0 ] [ 0.097358 0.152431 0 ] [ 0.402642 0.652431 0 ] ] } "species" { "source-value" [ "U" "U" "U" "U" "U" "U" "U" "U" "U" "U" "Re" "Re" "Re" "Re" "Re" "Re" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 11.37451715 "source-unit" "angstrom" } "c" { "source-value" 3.25941881 "source-unit" "angstrom" } }