{ "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" [ [ 0.085051 0.347958 0.200528 ] [ 0.085051 0.152042 0.700528 ] [ 0.187658 0.219484 0.427753 ] [ 0.187658 0.280516 0.927753 ] [ 0.812342 0.719484 0.072247 ] [ 0.812342 0.780516 0.572247 ] [ 0.914949 0.847958 0.299472 ] [ 0.914949 0.652042 0.799472 ] [ 0.503069 0.234993 0.131807 ] [ 0.496931 0.734993 0.368193 ] [ 0.503069 0.265007 0.631807 ] [ 0.496931 0.765007 0.868193 ] [ 0.173602 0.792978 0.082233 ] [ 0.173602 0.707022 0.582233 ] [ 0.826398 0.292978 0.417767 ] [ 0.826398 0.207022 0.917767 ] [ 0.04447 0.718067 0.164593 ] [ 0.04447 0.781933 0.664593 ] [ 0.225871 0.066264 0.07706 ] [ 0.225871 0.433736 0.57706 ] [ 0.249975 0.885814 0.503021 ] [ 0.38498 0.350054 0.310116 ] [ 0.249975 0.614186 0.003021 ] [ 0.38498 0.149946 0.810116 ] [ 0.61502 0.850054 0.189884 ] [ 0.750025 0.385814 0.996979 ] [ 0.61502 0.649946 0.689884 ] [ 0.750025 0.114186 0.496979 ] [ 0.774129 0.566264 0.42294 ] [ 0.774129 0.933736 0.92294 ] [ 0.95553 0.218067 0.335407 ] [ 0.95553 0.281933 0.835407 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Bi" "Bi" "Bi" "Bi" "B" "B" "B" "B" "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" 7.18828121 "source-unit" "angstrom" } "b" { "source-value" 5.02522712 "source-unit" "angstrom" } "c" { "source-value" 11.11981761 "source-unit" "angstrom" } "beta" { "source-value" 91.30566602 "source-unit" "degree" } }