{ "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" [ [ 0.2427 0.687667 0.839461 ] [ 0.7427 0.812333 0.339461 ] [ 0.2573 0.187667 0.660539 ] [ 0.7573 0.312333 0.160539 ] [ 0.749185 0.967014 0.834858 ] [ 0.249185 0.532986 0.334858 ] [ 0.750815 0.467014 0.665142 ] [ 0.250815 0.032986 0.165142 ] [ 0.113047 0.85173 0.906795 ] [ 0.514804 0.723832 0.783954 ] [ 0.755421 0.442442 0.992806 ] [ 0.744579 0.942442 0.507194 ] [ 0.255421 0.057558 0.492806 ] [ 0.485196 0.276168 0.216046 ] [ 0.244579 0.557558 0.007194 ] [ 0.907302 0.382578 0.344143 ] [ 0.407302 0.117422 0.844143 ] [ 0.886953 0.14827 0.093205 ] [ 0.592698 0.882578 0.155857 ] [ 0.985196 0.223832 0.716046 ] [ 0.014804 0.776168 0.283954 ] [ 0.386953 0.35173 0.593205 ] [ 0.092698 0.617422 0.655857 ] [ 0.613047 0.64827 0.406795 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Ag" "Ag" "Ag" "Ag" "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" 5.63414205094 "source-unit" "angstrom" } "b" { "source-value" 8.40932441 "source-unit" "angstrom" } "c" { "source-value" 7.16718722258 "source-unit" "angstrom" } "beta" { "source-value" 92.5000137213 "source-unit" "degree" } }