{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.137928 0.5 0.87937 ] [ 0.865522 0.5 0.132172 ] [ 0.026947 0 0.572899 ] [ 0.637928 0 0.87937 ] [ 0.365522 0 0.132172 ] [ 0.526947 0.5 0.572899 ] [ 0.819253 0.5 0.479105 ] [ 0.222855 0.5 0.215122 ] [ 0.0865 0 0.258939 ] [ 0.778278 0.5 0.786668 ] [ 0.911995 0 0.741849 ] [ 0.180755 0.5 0.520952 ] [ 0.000321 0.5 0.00137 ] [ 0.319253 0 0.479105 ] [ 0.722855 0 0.215122 ] [ 0.5865 0.5 0.258939 ] [ 0.278278 0 0.786668 ] [ 0.411995 0.5 0.741849 ] [ 0.680755 0 0.520952 ] [ 0.500321 0 0.00137 ] [ 0.076654 0.5 0.408666 ] [ 0.798675 0 0.62099 ] [ 0.23005 0 0.083173 ] [ 0.770384 0 0.91732 ] [ 0.82785 0 0.333085 ] [ 0.170113 0 0.666524 ] [ 0.106159 0.5 0.124444 ] [ 0.982517 0 0.142018 ] [ 0.892121 0.5 0.876091 ] [ 0.018159 0 0.857895 ] [ 0.923645 0.5 0.592819 ] [ 0.20147 0 0.379531 ] [ 0.576654 0 0.408666 ] [ 0.298675 0.5 0.62099 ] [ 0.73005 0.5 0.083173 ] [ 0.270384 0.5 0.91732 ] [ 0.32785 0.5 0.333085 ] [ 0.670113 0.5 0.666524 ] [ 0.606159 0 0.124444 ] [ 0.482517 0.5 0.142018 ] [ 0.392121 0 0.876091 ] [ 0.518159 0.5 0.857895 ] [ 0.423645 0 0.592819 ] [ 0.70147 0.5 0.379531 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 27.7848746762 "source-unit" "angstrom" } "b" { "source-value" 4.28419640159 "source-unit" "angstrom" } "c" { "source-value" 13.4174969417 "source-unit" "angstrom" } "beta" { "source-value" 107.111997779 "source-unit" "degree" } }