{ "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" [ [ 0.991467 0 0.74317 ] [ 0.008533 0 0.25683 ] [ 0.491467 0.5 0.74317 ] [ 0.508533 0.5 0.25683 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.072338 0.5 0.834123 ] [ 0.927662 0.5 0.165877 ] [ 0.237868 0.74108 0.278227 ] [ 0.762132 0.25892 0.721773 ] [ 0.762132 0.74108 0.721773 ] [ 0.237868 0.25892 0.278227 ] [ 0.572338 0 0.834123 ] [ 0.427662 0 0.165877 ] [ 0.737868 0.24108 0.278227 ] [ 0.262132 0.75892 0.721773 ] [ 0.262132 0.24108 0.721773 ] [ 0.737868 0.75892 0.278227 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Nd" "Nd" "Bi" "Bi" "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" 10.8669025715 "source-unit" "angstrom" } "b" { "source-value" 6.24230278928 "source-unit" "angstrom" } "c" { "source-value" 8.81124826524 "source-unit" "angstrom" } "beta" { "source-value" 144.673848669 "source-unit" "degree" } }