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:forces:R:3 energy=10969.57810213783 stress="-2580.7696514439367 -344.6998154995473 248.3421769417822 -344.6998154995473 -1648.8917486566193 -226.39042958673141 248.3421769417822 -226.39042958673141 -884.9376571220076" pbc="T T F" Mc -0.24343233 -0.29880180 0.26202024 2772.28570669 8765.35684867 -10829.30745955 Mc 1.20359702 1.62274584 0.19022586 4980.14129252 -10084.07460242 -5945.57043868 Mc 1.59820038 0.21144513 1.55827329 -24625.57955559 -15453.03014700 8925.15245900 Mc -0.08528009 1.28899670 1.77764040 16873.15255639 16771.74790075 7849.72543923