{ "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" [ [ 0.922174 0.635334 0.07188 ] [ 0.077826 0.135334 0.42812 ] [ 0.922174 0.864666 0.57188 ] [ 0.077826 0.364666 0.92812 ] [ 0.093029 0.652322 0.359218 ] [ 0.906971 0.152322 0.140782 ] [ 0.093029 0.847678 0.859218 ] [ 0.906971 0.347678 0.640782 ] [ 0.44423 0.613915 0.65099 ] [ 0.55577 0.113915 0.84901 ] [ 0.44423 0.886085 0.15099 ] [ 0.55577 0.386085 0.34901 ] [ 0.231647 0.660411 0.253147 ] [ 0.222339 0.137578 0.222835 ] [ 0.21687 0.433554 0.444046 ] [ 0.174726 0.837774 0.470287 ] [ 0.825274 0.337774 0.029713 ] [ 0.78313 0.933554 0.055954 ] [ 0.231647 0.839589 0.753147 ] [ 0.222339 0.362422 0.722835 ] [ 0.777661 0.637578 0.277165 ] [ 0.768353 0.160411 0.246853 ] [ 0.21687 0.066446 0.944046 ] [ 0.174726 0.662226 0.970287 ] [ 0.825274 0.162226 0.529713 ] [ 0.78313 0.566446 0.555954 ] [ 0.777661 0.862422 0.777165 ] [ 0.768353 0.339589 0.746853 ] ] } "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" 5.6243078 "source-unit" "angstrom" } "b" { "source-value" 6.40243894 "source-unit" "angstrom" } "c" { "source-value" 11.18283559 "source-unit" "angstrom" } "beta" { "source-value" 113.37518446 "source-unit" "degree" } }