{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.998981 0 0.014267 ] [ 0.500249 0 0.002972 ] [ 0.21903 0.5 0.172171 ] [ 0.743272 0.5 0.151295 ] [ 0.005473 0 0.341013 ] [ 0.49712 0 0.343673 ] [ 0.749575 0.5 0.479998 ] [ 0.25024 0.5 0.484132 ] [ 0.994129 0 0.673176 ] [ 0.496716 0 0.677325 ] [ 0.277852 0.5 0.840087 ] [ 0.750875 0.5 0.817247 ] [ 0.899844 0.5 0.061968 ] [ 0.15813 0 0.098437 ] [ 0.643897 0 0.09761 ] [ 0.09175 0.5 0.270625 ] [ 0.405154 0.5 0.395672 ] [ 0.902223 0.5 0.397452 ] [ 0.15235 0 0.44352 ] [ 0.651007 0 0.434249 ] [ 0.400548 0.5 0.731525 ] [ 0.911826 0.5 0.732114 ] [ 0.65593 0 0.767667 ] [ 0.354464 0 0.904907 ] [ 0.405583 0.5 0.06716 ] [ 0.350974 0 0.229951 ] [ 0.833732 0 0.226991 ] [ 0.595262 0.5 0.264055 ] [ 0.351568 0 0.567121 ] [ 0.85166 0 0.566935 ] [ 0.101931 0.5 0.608493 ] [ 0.596486 0.5 0.602107 ] [ 0.157618 0 0.771421 ] [ 0.847935 0 0.896312 ] [ 0.096506 0.5 0.930769 ] [ 0.600105 0.5 0.935584 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.55447016 "source-unit" "angstrom" } "b" { "source-value" 3.08760497 "source-unit" "angstrom" } "c" { "source-value" 14.26229525 "source-unit" "angstrom" } "beta" { "source-value" 90.31775775 "source-unit" "degree" } }