{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.98347 0.793855 0.326047 ] [ 0.048699 0.075979 0.768121 ] [ 0.529902 0.539371 0.821922 ] [ 0.439115 0.348565 0.326457 ] [ 0.092711 0.509917 0.881479 ] [ 0.509521 0.907253 0.098173 ] [ 0.389522 0.900844 0.534356 ] [ 0.481172 0.859286 0.376677 ] [ 0.165083 0.46136 0.609969 ] [ 0.278848 0.249799 0.010833 ] [ 0.849359 0.716992 0.807865 ] [ 0.756518 0.724696 0.015199 ] [ 0.771191 0.224763 0.12662 ] [ 0.245532 0.659652 0.050335 ] [ 0.841239 0.257705 0.320879 ] [ 0.427119 0.142962 0.874069 ] ] } "species" { "source-value" [ "Ba" "Ba" "Sr" "Sr" "Cu" "Cu" "C" "C" "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" 6.31088258 "source-unit" "angstrom" } "b" { "source-value" 6.38489331 "source-unit" "angstrom" } "c" { "source-value" 6.83159282 "source-unit" "angstrom" } "alpha" { "source-value" 76.27711838 "source-unit" "degree" } "beta" { "source-value" 86.84698871 "source-unit" "degree" } "gamma" { "source-value" 81.54069598 "source-unit" "degree" } }