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=-11.824981884498381 stress="0.9247944887858741 0.016050908238291747 0.00381091851889024 0.016050908238291747 1.0011234777840894 0.08251381670050809 0.00381091851889024 0.08251381670050809 0.6438237299222258" pbc="T T F" O -0.15729939 -0.02392544 0.06910064 -3.18950835 -1.76362946 5.25836528 O 1.62278156 1.62209946 0.25250008 3.46195603 3.90162017 7.03860110 O 1.48294868 -0.18141081 1.52407640 2.15701191 -3.32846360 -6.72996459 O -0.13224792 1.42513633 1.66460595 -2.42945959 1.19047289 -5.56700179