{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.759995 0.520603 0.208719 ] [ 0.240005 0.020603 0.791281 ] [ 0.218225 0.231237 0.346226 ] [ 0.781775 0.731237 0.653774 ] [ 0.279814 0.736882 0.425291 ] [ 0.720186 0.236882 0.574709 ] [ 0.276797 0.267266 0.067041 ] [ 0.723203 0.767266 0.932959 ] [ 0.691116 0.745088 0.057872 ] [ 0.058595 0.26816 0.125317 ] [ 0.459474 0.285701 0.16275 ] [ 0.218335 0.914811 0.337069 ] [ 0.175855 0.558684 0.350652 ] [ 0.831969 0.256825 0.427995 ] [ 0.563102 0.716894 0.448504 ] [ 0.436898 0.216894 0.551496 ] [ 0.168031 0.756825 0.572005 ] [ 0.824145 0.058684 0.649348 ] [ 0.781665 0.414811 0.662931 ] [ 0.540526 0.785701 0.83725 ] [ 0.941405 0.76816 0.874683 ] [ 0.308884 0.245088 0.942128 ] ] } "species" { "source-value" [ "Na" "Na" "Ce" "Ce" "P" "P" "C" "C" "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" 5.46132833 "source-unit" "angstrom" } "b" { "source-value" 7.04375761 "source-unit" "angstrom" } "c" { "source-value" 9.62917446 "source-unit" "angstrom" } "beta" { "source-value" 91.95296291 "source-unit" "degree" } }