{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmca" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.946076 0.673294 ] [ 0.25 0.053924 0.173294 ] [ 0.75 0.053924 0.326706 ] [ 0.75 0.946076 0.826706 ] [ 0.75 0.831687 0.518759 ] [ 0.75 0.225551 0.659052 ] [ 0.25 0.225551 0.840948 ] [ 0.75 0.774449 0.159052 ] [ 0.75 0.168313 0.018759 ] [ 0.25 0.774449 0.340948 ] [ 0.25 0.831687 0.981241 ] [ 0.25 0.168313 0.481241 ] [ 0.25 0.593677 0.609949 ] [ 0.75 0.406323 0.390051 ] [ 0.25 0.406323 0.109949 ] [ 0.75 0.593677 0.890051 ] [ 0.030121 0.311423 0.147108 ] [ 0.030121 0.688577 0.647108 ] [ 0.75 0.604728 0.367135 ] [ 0.5 0.921005 0.25 ] [ 0.469879 0.688577 0.647108 ] [ 0.530121 0.688577 0.852892 ] [ 0.995945 0.045177 0.581731 ] [ 0.004055 0.954823 0.418269 ] [ 0.504055 0.045177 0.581731 ] [ 0.5 0.078995 0.75 ] [ 0.495945 0.954823 0.418269 ] [ 0.969879 0.688577 0.852892 ] [ 0 0.078995 0.75 ] [ 0.25 0.615859 0.517607 ] [ 0.504055 0.954823 0.081731 ] [ 0.530121 0.311423 0.352892 ] [ 0.75 0.384141 0.482393 ] [ 0.969879 0.311423 0.352892 ] [ 0.25 0.604728 0.132865 ] [ 0.75 0.615859 0.982393 ] [ 0.75 0.395272 0.867135 ] [ 0 0.921005 0.25 ] [ 0.469879 0.311423 0.147108 ] [ 0.25 0.384141 0.017607 ] [ 0.995945 0.954823 0.081731 ] [ 0.495945 0.045177 0.918269 ] [ 0.004055 0.045177 0.918269 ] [ 0.25 0.395272 0.632865 ] ] } "species" { "source-value" [ "Co" "Co" "Co" "Co" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "S" "S" "S" "S" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.44299005 "source-unit" "angstrom" } "b" { "source-value" 7.2922956 "source-unit" "angstrom" } "c" { "source-value" 16.03261911 "source-unit" "angstrom" } }