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=-1.5129017756223417 stress="-0.3144102443916691 -0.09914367471630277 0.09333382095203499 -0.09914367471630277 -0.5462021610638483 -0.02247974502286786 0.09333382095203499 -0.02247974502286786 -0.2810734319928742" free_energy=-1.5129017756223417 pbc="F T F"
O       0.17089611       2.89545365       0.26235339      -2.99551012      -0.26471754      -0.87751147 
O       1.34838096       1.69571630       0.21211731       5.65622364       0.29767513      -5.21885205 
O       1.44968690       0.29594673       1.65710459       1.66832065       1.92699264       2.64496679 
O       0.24122900       1.52201293       1.31634348      -4.32903416      -1.95995022       3.45139673