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=-1.0929258917944538 stress="0.08862699692197429 -0.00895495487766307 0.005871801821099815 -0.00895495487766307 0.06472047090214453 -0.00039228108775676325 0.005871801821099815 -0.00039228108775676325 0.09159449233156926" pbc="T F T" user10 -0.04513196 0.17777838 -0.21107956 0.23051501 0.55137971 -0.30097490 user10 1.33507673 1.56601932 -0.21838913 -0.42445756 -0.54715297 -0.39209725 user10 1.33369018 0.16162792 1.46949935 -0.48380241 0.79845809 0.23311718 user10 0.25255013 1.39242336 1.49573369 0.67774496 -0.80268482 0.45995497