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=-1.461197889652596 stress="0.11544919298889937 0.0042745052610602295 0.007939110919400359 0.0042745052610602295 0.10208505349888197 -0.0020222526178800488 0.007939110919400359 -0.0020222526178800488 0.11606838586975518" pbc="T T T" user19 0.17974736 0.26792299 0.04329485 0.70760162 0.65055704 0.55455500 user19 1.45402706 1.31659871 -0.00762799 -0.45174014 -0.65679339 0.31128326 user19 1.27402008 0.10447922 1.27928311 -0.53771547 0.51374539 -0.55561381 user19 -0.01087099 1.38029150 1.38261528 0.28185399 -0.50750903 -0.31022445