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=1.1805940864108337 stress="-0.08606698511966689 -0.0774193468778955 -0.17668857799962995 -0.0774193468778955 -0.09482675307106828 0.08004883322642987 -0.17668857799962995 0.08004883322642987 0.16685219790092948" free_energy=1.1805940864108337 pbc="T F F"
O       2.78984966       0.18107110       0.13102478      -3.15392396       0.17085814       2.52365435 
O       1.38224945       1.76120756       0.01193751      -0.53941705       1.16597479       1.05016939 
O       1.75226748       0.04396501       1.57236142       1.65799730      -1.65233003      -1.02999562 
O       0.20379337       1.73854596       1.26922180       2.03534370       0.31549710      -2.54382811