{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2" } "basis-atom-coordinates" { "source-value" [ [ 0 0.398748 0.5 ] [ 0.5 0.898748 0.5 ] [ 0 0.012587 0 ] [ 0.5 0.512587 0 ] [ 0.182627 0.693045 0.370702 ] [ 0.817373 0.693045 0.629298 ] [ 0.682627 0.193045 0.370702 ] [ 0.317373 0.193045 0.629298 ] [ 0.744122 0.044095 0.467766 ] [ 0.200138 0.27123 0.851891 ] [ 0 0.764796 0.5 ] [ 0.799862 0.27123 0.148109 ] [ 0.255878 0.044095 0.532234 ] [ 0.244122 0.544095 0.467766 ] [ 0.700138 0.77123 0.851891 ] [ 0.5 0.264796 0.5 ] [ 0.299862 0.77123 0.148109 ] [ 0.755878 0.544095 0.532234 ] ] } "species" { "source-value" [ "Li" "Li" "Bi" "Bi" "B" "B" "B" "B" "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" 6.05818866 "source-unit" "angstrom" } "b" { "source-value" 8.66156144 "source-unit" "angstrom" } "c" { "source-value" 3.84214699 "source-unit" "angstrom" } "beta" { "source-value" 96.73948549 "source-unit" "degree" } }