{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.981275 0.448527 0.242211 ] [ 0.512158 0.95227 0.245763 ] [ 0.487842 0.04773 0.754237 ] [ 0.018725 0.551473 0.757789 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 1 1 0.5 ] [ 0.889845 0.951366 0.728491 ] [ 0.790424 0.718792 0.43194 ] [ 0.784543 0.681125 0.048329 ] [ 0.712951 0.21069 0.44076 ] [ 0.677039 0.217518 0.057489 ] [ 0.611064 0.452598 0.749492 ] [ 0.388936 0.547402 0.250508 ] [ 0.322961 0.782482 0.942511 ] [ 0.287049 0.78931 0.55924 ] [ 0.215457 0.318875 0.951671 ] [ 0.209576 0.281208 0.56806 ] [ 0.110155 0.048634 0.271509 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Bi" "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" 6.02723731364 "source-unit" "angstrom" } "b" { "source-value" 6.20551059359 "source-unit" "angstrom" } "c" { "source-value" 8.57717268431 "source-unit" "angstrom" } "alpha" { "source-value" 89.4677651382 "source-unit" "degree" } "beta" { "source-value" 89.8529485564 "source-unit" "degree" } "gamma" { "source-value" 89.9170179497 "source-unit" "degree" } }