{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.912949 0.75 0.121985 ] [ 0.82786 0.25 0.406166 ] [ 0.678887 0.75 0.662657 ] [ 0.446942 0.75 0.125408 ] [ 0.553058 0.25 0.874592 ] [ 0.321113 0.25 0.337343 ] [ 0.17214 0.75 0.593834 ] [ 0.087051 0.25 0.878015 ] [ 0.88703 0.75 0.503866 ] [ 0.64821 0.75 0.010748 ] [ 0.750915 0.25 0.763446 ] [ 0.500774 0.25 0.243778 ] [ 0.499226 0.75 0.756222 ] [ 0.249085 0.75 0.236554 ] [ 0.35179 0.25 0.989252 ] [ 0.11297 0.25 0.496134 ] [ 0.90076 0.25 0.011981 ] [ 0.985969 0.25 0.244285 ] [ 0.757616 0.75 0.247158 ] [ 0.625238 0.25 0.500162 ] [ 0.374762 0.75 0.499838 ] [ 0.242384 0.25 0.752842 ] [ 0.014031 0.75 0.755715 ] [ 0.09924 0.75 0.988019 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "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" 8.34661456 "source-unit" "angstrom" } "b" { "source-value" 3.94908235 "source-unit" "angstrom" } "c" { "source-value" 12.42451427 "source-unit" "angstrom" } "beta" { "source-value" 109.13261447 "source-unit" "degree" } }