{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.014017 0.449023 0.750994 ] [ 0.485983 0.949023 0.749006 ] [ 0.985983 0.550977 0.249006 ] [ 0.514017 0.050977 0.250994 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.311151 0.212315 0.940179 ] [ 0.188849 0.712315 0.559821 ] [ 0.688849 0.787685 0.059821 ] [ 0.811151 0.287685 0.440179 ] [ 0.209445 0.693333 0.946343 ] [ 0.290555 0.193333 0.553657 ] [ 0.790555 0.306667 0.053657 ] [ 0.709445 0.806667 0.446343 ] [ 0.606781 0.544648 0.760591 ] [ 0.893219 0.044648 0.739409 ] [ 0.393219 0.455352 0.239409 ] [ 0.106781 0.955352 0.260591 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Bi" "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" 6.01108291115 "source-unit" "angstrom" } "b" { "source-value" 6.20390637 "source-unit" "angstrom" } "c" { "source-value" 8.60090688031 "source-unit" "angstrom" } "beta" { "source-value" 90.0374636977 "source-unit" "degree" } }