{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.759032 0 0.745868 ] [ 0.240968 0 0.254132 ] [ 0.259032 0.5 0.745868 ] [ 0.740968 0.5 0.254132 ] [ 0.086149 0.5 0.276587 ] [ 0.913851 0.5 0.723413 ] [ 0.900795 0 0.15947 ] [ 0.099205 0 0.84053 ] [ 0.586149 0 0.276587 ] [ 0.413851 0 0.723413 ] [ 0.400795 0.5 0.15947 ] [ 0.599205 0.5 0.84053 ] [ 0.9017 0 0.820029 ] [ 0.0983 0 0.179971 ] [ 0.798999 0 0.135696 ] [ 0.201001 0 0.864304 ] [ 0.184725 0.5 0.40332 ] [ 0.815275 0.5 0.59668 ] [ 0.908807 0.5 0.059419 ] [ 0.091193 0.5 0.940581 ] [ 0.4017 0.5 0.820029 ] [ 0.5983 0.5 0.179971 ] [ 0.298999 0.5 0.135696 ] [ 0.701001 0.5 0.864304 ] [ 0.684725 0 0.40332 ] [ 0.315275 0 0.59668 ] [ 0.408807 0 0.059419 ] [ 0.591193 0 0.940581 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "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" 20.2689774304 "source-unit" "angstrom" } "b" { "source-value" 4.38569609943 "source-unit" "angstrom" } "c" { "source-value" 6.43951827583 "source-unit" "angstrom" } "beta" { "source-value" 96.9682871794 "source-unit" "degree" } }