{ "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" [ [ 0.980231 0.5 0.701521 ] [ 0.480231 0 0.701521 ] [ 0.896732 0.5 0.070794 ] [ 0.877464 0 0.377632 ] [ 0.142686 0 0.457236 ] [ 0.243425 0.5 0.760867 ] [ 0.396732 0 0.070794 ] [ 0.377464 0.5 0.377632 ] [ 0.642686 0.5 0.457236 ] [ 0.743425 0 0.760867 ] [ 0.902379 0.5 0.331055 ] [ 0.011797 0 0.519945 ] [ 0.152738 0.5 0.535949 ] [ 0.869268 0 0.69546 ] [ 0.21772 0 0.686793 ] [ 0.017489 0.5 0.994058 ] [ 0.904648 0 0.145761 ] [ 0.402379 0 0.331055 ] [ 0.511797 0.5 0.519945 ] [ 0.652738 0 0.535949 ] [ 0.369268 0.5 0.69546 ] [ 0.71772 0.5 0.686793 ] [ 0.517489 0 0.994058 ] [ 0.404648 0.5 0.145761 ] ] } "species" { "source-value" [ "Ba" "Ba" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "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" 14.93091199 "source-unit" "angstrom" } "b" { "source-value" 4.46452813 "source-unit" "angstrom" } "c" { "source-value" 8.76390966 "source-unit" "angstrom" } "beta" { "source-value" 99.40377446 "source-unit" "degree" } }