4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=190.254432981 pbc="F T F" Se 0.02626109 0.57557137 -0.12776168 34 -144.90962866 -108.95393770 -149.01327466 Se 1.33184279 1.41380054 0.08098641 34 172.47001434 92.55570663 -82.26103246 Se 1.69843311 0.42991894 1.57855587 34 75.23880738 -27.64608103 96.67960772 Se -0.25698586 1.38150990 1.31428451 34 -102.79919306 44.04431210 134.59469941