{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2" } "basis-atom-coordinates" { "source-value" [ [ 0.247591 0.493909 0.250431 ] [ 0.752409 0.493909 0.749569 ] [ 0.747591 0.993909 0.250431 ] [ 0.252409 0.993909 0.749569 ] [ 0 0.000294 0 ] [ 0 0.485364 0.5 ] [ 0.5 0.500294 0 ] [ 0.5 0.985364 0.5 ] [ 0.866181 0.4574 0.123559 ] [ 0.133819 0.4574 0.876441 ] [ 0.866328 0.023177 0.624211 ] [ 0.133672 0.023177 0.375789 ] [ 0.366181 0.9574 0.123559 ] [ 0.633819 0.9574 0.876441 ] [ 0.366328 0.523177 0.624211 ] [ 0.633672 0.523177 0.375789 ] [ 0.842678 0.779674 0.865499 ] [ 0.839209 0.711212 0.368847 ] [ 0.157322 0.779674 0.134501 ] [ 0.850526 0.27921 0.90812 ] [ 0.906671 0.048909 0.16835 ] [ 0.84421 0.210555 0.409337 ] [ 0.086764 0.43806 0.329878 ] [ 0.913236 0.43806 0.670122 ] [ 0.160791 0.711212 0.631153 ] [ 0.15579 0.210555 0.590663 ] [ 0.093329 0.048909 0.83165 ] [ 0.149474 0.27921 0.09188 ] [ 0.342678 0.279674 0.865499 ] [ 0.339209 0.211212 0.368847 ] [ 0.657322 0.279674 0.134501 ] [ 0.350526 0.77921 0.90812 ] [ 0.406671 0.548909 0.16835 ] [ 0.34421 0.710555 0.409337 ] [ 0.586764 0.93806 0.329878 ] [ 0.413236 0.93806 0.670122 ] [ 0.660791 0.211212 0.631153 ] [ 0.65579 0.710555 0.590663 ] [ 0.593329 0.548909 0.83165 ] [ 0.649474 0.77921 0.09188 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Co" "Co" "Co" "Co" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "O" "O" "O" "O" "O" "O" "O" "O" "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" 9.64877577642 "source-unit" "angstrom" } "b" { "source-value" 5.52014586062 "source-unit" "angstrom" } "c" { "source-value" 9.7391041665 "source-unit" "angstrom" } "beta" { "source-value" 108.262062177 "source-unit" "degree" } }