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=-23.842895855475028 pbc="F T T" B -0.00030174 0.07188196 -0.03197041 5 6.31622690 1.09684706 1.12314535 B 1.26614954 1.27790257 -0.26460689 5 -7.72515194 2.38115978 2.10840737 B 1.70020259 0.09440530 1.60470978 5 -7.08028643 -1.78984280 -1.23282319 B -0.23101274 1.43773636 1.21709627 5 8.48921147 -1.68816403 -1.99872953