{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.286603 0 0.107318 ] [ 0.681933 0 0.336356 ] [ 0.013939 0.5 0.009552 ] [ 0.992586 0 0.763798 ] [ 0.329773 0 0.67657 ] [ 0.738686 0 0.890308 ] [ 0.073715 0 0.264018 ] [ 0.499132 0.801111 0.499572 ] [ 0.672941 0.5 0.551356 ] [ 0.877832 0.5 0.55027 ] [ 0.450352 0.5 0.327912 ] [ 0.000966 0.796932 0.500155 ] [ 0.453331 0.5 0.123397 ] [ 0.879208 0.5 0.327456 ] [ 0.675883 0.5 0.122149 ] [ 0.503083 0.202244 0.001053 ] [ 0.503083 0.797756 0.001053 ] [ 0.32825 0.5 0.879666 ] [ 0.12342 0.5 0.673827 ] [ 0.551079 0.5 0.877796 ] [ 0.000966 0.203068 0.500155 ] [ 0.549752 0.5 0.67205 ] [ 0.123635 0.5 0.451981 ] [ 0.327386 0.5 0.449365 ] [ 0.499132 0.198889 0.499572 ] [ 0.015282 0 0.005295 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.17145189 "source-unit" "angstrom" } "b" { "source-value" 4.1231785 "source-unit" "angstrom" } "c" { "source-value" 8.17631494 "source-unit" "angstrom" } "beta" { "source-value" 119.90535665 "source-unit" "degree" } }