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=22036.21019786869 pbc="T T F" W -0.27158346 -0.05089661 -0.04478345 74 31205.00310750 14167.94058898 -38448.54622748 W 1.32585179 1.66352612 -0.20226660 74 -13207.36855826 -27934.54209111 -23213.09989747 W 1.57899682 -0.26954712 1.38596701 74 -28626.91155973 3513.24013671 44874.58941234 W -0.06015897 1.19687243 1.47338499 74 10629.27701049 10253.36136542 16787.05671260