{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.613305 0.75 ] [ 0 0.386695 0.25 ] [ 0.5 0.842498 0.75 ] [ 0.5 0.421383 0.75 ] [ 0.5 0.578617 0.25 ] [ 0.5 0.157502 0.25 ] [ 0 0.149127 0.75 ] [ 0 0.850873 0.25 ] [ 0.251599 0.373671 0.986249 ] [ 0.235873 0.108286 0.492799 ] [ 0.251599 0.626329 0.486249 ] [ 0.235873 0.891714 0.992799 ] [ 0.748401 0.373671 0.513751 ] [ 0.764127 0.891714 0.507201 ] [ 0.748401 0.626329 0.013751 ] [ 0.764127 0.108286 0.007201 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Bi" "Bi" "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" 5.32241857 "source-unit" "angstrom" } "b" { "source-value" 6.31172239 "source-unit" "angstrom" } "c" { "source-value" 5.3963363 "source-unit" "angstrom" } "beta" { "source-value" 109.02460685 "source-unit" "degree" } }