{ "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" [ [ 0.200787 0.25 0.395289 ] [ 0.034492 0.25 0.676003 ] [ 0.611852 0.75 0.040823 ] [ 0.410937 0.75 0.3173 ] [ 0.589063 0.25 0.6827 ] [ 0.388148 0.25 0.959177 ] [ 0.965508 0.75 0.323997 ] [ 0.799213 0.75 0.604711 ] [ 0.154802 0.75 0.08559 ] [ 0.313024 0.75 0.551482 ] [ 0.31073 0.75 0.806076 ] [ 0.68927 0.25 0.193924 ] [ 0.686976 0.25 0.448518 ] [ 0.845198 0.25 0.91441 ] [ 0.104997 0.25 0.048557 ] [ 0.432772 0.75 0.174547 ] [ 0.187719 0.75 0.414783 ] [ 0.085831 0.75 0.654948 ] [ 0.120138 0.25 0.812861 ] [ 0.474517 0.25 0.33175 ] [ 0.369543 0.25 0.533743 ] [ 0.638933 0.25 0.035767 ] [ 0.361067 0.75 0.964233 ] [ 0.630457 0.75 0.466257 ] [ 0.525483 0.75 0.66825 ] [ 0.879862 0.75 0.187139 ] [ 0.914169 0.25 0.345052 ] [ 0.812281 0.25 0.585217 ] [ 0.567228 0.25 0.825453 ] [ 0.895003 0.75 0.951443 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Bi" "Bi" "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" 6.56055549 "source-unit" "angstrom" } "b" { "source-value" 4.25213463 "source-unit" "angstrom" } "c" { "source-value" 14.07295998 "source-unit" "angstrom" } "beta" { "source-value" 90.80599178 "source-unit" "degree" } }