{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.248423 0.75 0.078705 ] [ 0.778964 0.929969 0.263134 ] [ 0.778964 0.570031 0.263134 ] [ 0.221036 0.429969 0.736866 ] [ 0.221036 0.070031 0.736866 ] [ 0.751577 0.25 0.921295 ] [ 0.284319 0.75 0.395861 ] [ 0.715681 0.25 0.604139 ] [ 0.230942 0.25 0.350514 ] [ 0.769058 0.75 0.649486 ] [ 0.286259 0.25 0.031575 ] [ 0.713741 0.75 0.968425 ] [ 0.670384 0.75 0.1096 ] [ 0.043811 0.25 0.078937 ] [ 0.49376 0.25 0.121712 ] [ 0.168193 0.930245 0.299285 ] [ 0.168193 0.569755 0.299285 ] [ 0.618504 0.75 0.40121 ] [ 0.793379 0.25 0.427291 ] [ 0.206621 0.75 0.572709 ] [ 0.381496 0.25 0.59879 ] [ 0.831807 0.430245 0.700715 ] [ 0.831807 0.069755 0.700715 ] [ 0.50624 0.75 0.878288 ] [ 0.956189 0.75 0.921063 ] [ 0.329616 0.25 0.8904 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Si" "Si" "Bi" "Bi" "C" "C" "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" 4.97442217 "source-unit" "angstrom" } "b" { "source-value" 7.14501011 "source-unit" "angstrom" } "c" { "source-value" 9.07079222 "source-unit" "angstrom" } "beta" { "source-value" 92.11221296 "source-unit" "degree" } }