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=-18.008444703287157 stress="1.3826748169674503 0.06427873066918713 -0.09204580465117297 0.06427873066918713 1.3228681194692031 -0.025534756860319318 -0.09204580465117297 -0.025534756860319318 1.2379880234636373" pbc="T T T"
O      -0.03962901      -0.26263054      -0.29894610       1.39314192      -1.42653518      -6.34045767 
O       1.53525338       1.48965605       0.11949563       2.04272440      -0.22384192      -1.78379222 
O       1.24051514       0.18642411       1.63999902      -2.62472379       2.65042453       3.92911972 
O      -0.22403493       1.32743410       1.65842336      -0.81114252      -1.00004743       4.19513016