{ "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 ] [ 0.5 0.5 0 ] [ 0.743504 0.158742 0.480957 ] [ 0.256496 0.841258 0.519043 ] [ 0.524301 0.159437 0.686624 ] [ 0.029963 0.974047 0.699666 ] [ 0.502643 0.268803 0.247958 ] [ 0.99054 0.573785 0.266638 ] [ 0.00946 0.426215 0.733362 ] [ 0.475699 0.840563 0.313376 ] [ 0.970037 0.025953 0.300334 ] [ 0.497357 0.731197 0.752042 ] ] } "species" { "source-value" [ "Cu" "Bi" "W" "W" "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" 5.15565621173 "source-unit" "angstrom" } "b" { "source-value" 6.24079668978 "source-unit" "angstrom" } "c" { "source-value" 6.11834228272 "source-unit" "angstrom" } "alpha" { "source-value" 108.712549747 "source-unit" "degree" } "beta" { "source-value" 113.459345048 "source-unit" "degree" } "gamma" { "source-value" 91.7574482638 "source-unit" "degree" } }