{ "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" [ [ 0.41791 0.367673 0.563271 ] [ 0.58209 0.867673 0.936729 ] [ 0.41791 0.132327 0.063271 ] [ 0.58209 0.632327 0.436729 ] [ 0.191634 0.699361 0.63265 ] [ 0.191634 0.800639 0.13265 ] [ 0.808366 0.199361 0.86735 ] [ 0.808366 0.300639 0.36735 ] [ 0.032471 0.665256 0.858311 ] [ 0.032471 0.834744 0.358311 ] [ 0.967529 0.165256 0.641689 ] [ 0.967529 0.334744 0.141689 ] [ 0.091188 0.29708 0.970903 ] [ 0.091188 0.20292 0.470903 ] [ 0.289021 0.852894 0.760245 ] [ 0.173066 0.469751 0.691713 ] [ 0.34791 0.686601 0.540761 ] [ 0.289021 0.647106 0.260245 ] [ 0.173066 0.030249 0.191713 ] [ 0.65209 0.186601 0.959239 ] [ 0.34791 0.813399 0.040761 ] [ 0.826934 0.969751 0.808287 ] [ 0.710979 0.352894 0.739755 ] [ 0.65209 0.313399 0.459239 ] [ 0.826934 0.530249 0.308287 ] [ 0.710979 0.147106 0.239755 ] [ 0.908812 0.79708 0.529097 ] [ 0.908812 0.70292 0.029097 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Si" "Si" "Si" "Si" "Bi" "Bi" "Bi" "Bi" "O" "O" "O" "O" "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" 5.85329621 "source-unit" "angstrom" } "b" { "source-value" 6.407882 "source-unit" "angstrom" } "c" { "source-value" 11.39951465 "source-unit" "angstrom" } "beta" { "source-value" 115.63504423 "source-unit" "degree" } }