{ "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" [ [ 0.877127 0.003275 0.128671 ] [ 0.374181 0.025533 0.117763 ] [ 0.882126 0.982348 0.62072 ] [ 0.368422 0.987626 0.618222 ] [ 0.117874 0.482348 0.37928 ] [ 0.631578 0.487626 0.381778 ] [ 0.122873 0.503275 0.871329 ] [ 0.625819 0.525533 0.882237 ] [ 0.127095 0.784578 0.522861 ] [ 0.62565 0.802063 0.530529 ] [ 0.125916 0.823077 0.029754 ] [ 0.624586 0.825995 0.032727 ] [ 0.877146 0.679542 0.280382 ] [ 0.871961 0.695954 0.778303 ] [ 0.375726 0.694602 0.778669 ] [ 0.872905 0.284578 0.477139 ] [ 0.37435 0.302063 0.469471 ] [ 0.874084 0.323077 0.970246 ] [ 0.375414 0.325995 0.967273 ] [ 0.128039 0.195954 0.221697 ] [ 0.624274 0.194602 0.221331 ] [ 0.122854 0.179542 0.719618 ] [ 0.377791 0.695406 0.275516 ] [ 0.622209 0.195406 0.724484 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 6.00323204 "source-unit" "angstrom" } "b" { "source-value" 4.6471012 "source-unit" "angstrom" } "c" { "source-value" 9.26615347 "source-unit" "angstrom" } "beta" { "source-value" 90.3979183 "source-unit" "degree" } }