{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.247143 0.014003 0.743347 ] [ 0.247143 0.485997 0.743347 ] [ 0.752857 0.514003 0.256653 ] [ 0.752857 0.985997 0.256653 ] [ 0.780486 0.75 0.651757 ] [ 0.219514 0.25 0.348243 ] [ 0.720996 0.25 0.582025 ] [ 0.279004 0.75 0.417975 ] [ 0.714707 0.75 0.926286 ] [ 0.285293 0.25 0.073714 ] [ 0.315569 0.25 0.932327 ] [ 0.94221 0.75 0.863232 ] [ 0.521789 0.75 0.824754 ] [ 0.787123 0.065459 0.676137 ] [ 0.787123 0.434541 0.676137 ] [ 0.138984 0.75 0.573814 ] [ 0.417857 0.25 0.541932 ] [ 0.582143 0.75 0.458068 ] [ 0.861016 0.25 0.426186 ] [ 0.212877 0.565459 0.323863 ] [ 0.212877 0.934541 0.323863 ] [ 0.478211 0.25 0.175246 ] [ 0.05779 0.25 0.136768 ] [ 0.684431 0.75 0.067673 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Ni" "Ni" "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" 5.10316366 "source-unit" "angstrom" } "b" { "source-value" 6.8110134 "source-unit" "angstrom" } "c" { "source-value" 8.72018113 "source-unit" "angstrom" } "beta" { "source-value" 91.66996753 "source-unit" "degree" } }