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=1.0420989619157315 stress="0.005973146690686024 -0.34513217673041946 0.0607895619152152 -0.34513217673041946 0.1353658759266693 -0.03155561116748241 0.0607895619152152 -0.03155561116748241 -0.19096021778119832" free_energy=1.0420989619157315 pbc="F F T"
O       0.16501753       0.22580078       2.92866320      -2.57335112      -2.50564398       0.84632219 
O       1.68883157       1.49955875       0.04313966       3.23668932       2.45341138       0.12879152 
O       1.44832183       0.25980354       1.46667242      -5.22823953       5.98470718      -1.60592246 
O       0.51903059       1.40295338       1.60338854       4.56490132      -5.93247458       0.63080874