{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.912986 0.25 ] [ 0 0.087014 0.75 ] [ 0.5 0.412986 0.25 ] [ 0.5 0.587014 0.75 ] [ 0.19309 0.164847 0.379795 ] [ 0.189565 0.243413 0.598945 ] [ 0.189565 0.756587 0.098945 ] [ 0.80691 0.164847 0.120205 ] [ 0.19309 0.835153 0.879795 ] [ 0.810435 0.243413 0.901055 ] [ 0.810435 0.756587 0.401055 ] [ 0.80691 0.835153 0.620205 ] [ 0.69309 0.664847 0.379795 ] [ 0.689565 0.743413 0.598945 ] [ 0.689565 0.256587 0.098945 ] [ 0.30691 0.664847 0.120205 ] [ 0.69309 0.335153 0.879795 ] [ 0.310435 0.743413 0.901055 ] [ 0.310435 0.256587 0.401055 ] [ 0.30691 0.335153 0.620205 ] [ 0.872705 0.936626 0.776197 ] [ 0.119871 0.755308 0.223046 ] [ 0.880129 0.244692 0.776954 ] [ 0.880129 0.755308 0.276954 ] [ 0.127295 0.063374 0.223803 ] [ 0.127295 0.936626 0.723803 ] [ 0.872705 0.063374 0.276197 ] [ 0.119871 0.244692 0.723046 ] [ 0.372705 0.436626 0.776197 ] [ 0.619871 0.255308 0.223046 ] [ 0.380129 0.744692 0.776954 ] [ 0.380129 0.255308 0.276954 ] [ 0.627295 0.563374 0.223803 ] [ 0.627295 0.436626 0.723803 ] [ 0.372705 0.563374 0.276197 ] [ 0.619871 0.744692 0.723046 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "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" 10.8109237254 "source-unit" "angstrom" } "b" { "source-value" 9.01729786822 "source-unit" "angstrom" } "c" { "source-value" 5.84086596119 "source-unit" "angstrom" } "beta" { "source-value" 116.245572007 "source-unit" "degree" } }