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=-10.44170292413428 pbc="T F T" O -0.10403285 0.08651015 0.01601038 8 0.66693336 4.07152390 0.03156152 O 1.44767789 1.58487837 -0.21225331 8 -2.54267701 -4.54174039 -2.85584019 O 1.32306762 0.14863077 1.49011297 8 -1.61997432 5.47860545 0.79407657 O 0.20620432 1.73168980 1.47619167 8 3.49571797 -5.00838896 2.03020210