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=-25.36355466231666 pbc="T T F" B -0.22334428 0.15642387 0.16516616 5 -1.70372279 1.27905897 8.90696714 B 1.59074991 1.69152926 -0.11133660 5 1.21102631 -0.68760917 10.48922631 B 1.36246657 0.25442049 1.48052389 5 15.27369412 -18.82552108 -9.31434633 B 0.34152644 1.45089143 1.43540691 5 -14.78099763 18.23407128 -10.08184713