{ "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" [ [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0.009977 0.056543 0.750172 ] [ 0.490023 0.556543 0.749828 ] [ 0.509977 0.443457 0.250172 ] [ 0.990023 0.943457 0.249828 ] [ 0.810804 0.211263 0.044923 ] [ 0.791029 0.193679 0.45624 ] [ 0.909128 0.473677 0.757477 ] [ 0.189196 0.788737 0.955077 ] [ 0.409128 0.026323 0.257477 ] [ 0.689196 0.711263 0.455077 ] [ 0.708971 0.693679 0.04376 ] [ 0.208971 0.806321 0.54376 ] [ 0.590872 0.973677 0.742523 ] [ 0.310804 0.288737 0.544923 ] [ 0.291029 0.306321 0.95624 ] [ 0.090872 0.526323 0.242523 ] ] } "species" { "source-value" [ "Mn" "Mn" "Ni" "Ni" "Bi" "Bi" "Bi" "Bi" "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" 5.44195671495 "source-unit" "angstrom" } "b" { "source-value" 5.6609643 "source-unit" "angstrom" } "c" { "source-value" 7.76429605177 "source-unit" "angstrom" } "beta" { "source-value" 90.2302244176 "source-unit" "degree" } }