{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.26295 0.728053 0.142131 ] [ 0.26295 0.771947 0.642131 ] [ 0.260929 0.396854 0.118606 ] [ 0.260929 0.103146 0.618606 ] [ 0.739071 0.896854 0.381394 ] [ 0.739071 0.603146 0.881394 ] [ 0.73705 0.228053 0.357869 ] [ 0.73705 0.271947 0.857869 ] [ 0.182768 0.040104 0.159548 ] [ 0.182768 0.459896 0.659548 ] [ 0.817232 0.540104 0.340452 ] [ 0.817232 0.959896 0.840452 ] [ 0.206198 0.563946 0.422246 ] [ 0.206198 0.936054 0.922246 ] [ 0.254507 0.921185 0.354203 ] [ 0.254507 0.578815 0.854203 ] [ 0.240426 0.191006 0.289287 ] [ 0.240426 0.308994 0.789287 ] [ 0.759574 0.691006 0.210713 ] [ 0.759574 0.808994 0.710713 ] [ 0.745493 0.421185 0.145797 ] [ 0.745493 0.078815 0.645797 ] [ 0.793802 0.063946 0.077754 ] [ 0.793802 0.436054 0.577754 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Fe" "Fe" "Fe" "Fe" "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" 4.84370975 "source-unit" "angstrom" } "b" { "source-value" 10.00080905 "source-unit" "angstrom" } "c" { "source-value" 6.61261129 "source-unit" "angstrom" } "beta" { "source-value" 91.82061746 "source-unit" "degree" } }