{ "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" [ [ 0.840079 0.000857 0.656797 ] [ 0.340079 0.499143 0.156797 ] [ 0.159921 0.999143 0.343203 ] [ 0.659921 0.500857 0.843203 ] [ 0.987959 0.757077 0.988471 ] [ 0.012041 0.242923 0.011529 ] [ 0.487959 0.742923 0.488471 ] [ 0.512041 0.257077 0.511529 ] [ 0.683914 0.109787 0.183573 ] [ 0.183914 0.390213 0.683573 ] [ 0.816086 0.609787 0.316427 ] [ 0.316086 0.890213 0.816427 ] [ 0.102686 0.102676 0.603688 ] [ 0.681851 0.210416 0.472197 ] [ 0.397314 0.602676 0.896312 ] [ 0.181851 0.289584 0.972197 ] [ 0.477009 0.296614 0.68239 ] [ 0.622146 0.737033 0.614316 ] [ 0.877854 0.237033 0.885684 ] [ 0.897314 0.897324 0.396312 ] [ 0.818149 0.710416 0.027803 ] [ 0.318149 0.789584 0.527803 ] [ 0.122146 0.762967 0.114316 ] [ 0.022991 0.796614 0.81761 ] [ 0.522991 0.703386 0.31761 ] [ 0.377854 0.262967 0.385684 ] [ 0.977009 0.203386 0.18239 ] [ 0.602686 0.397324 0.103688 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "B" "B" "B" "B" "Pb" "Pb" "Pb" "Pb" "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" 7.64159052754 "source-unit" "angstrom" } "b" { "source-value" 7.58627211 "source-unit" "angstrom" } "c" { "source-value" 7.76378361063 "source-unit" "angstrom" } "beta" { "source-value" 93.0553477221 "source-unit" "degree" } }