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=176.2514219083177 stress="-11.312276208185612 -1.0189007634677436 0.4439586217326203 -1.0189007634677436 -6.625822528006929 -0.7858711127295369 0.4439586217326203 -0.7858711127295369 -10.967668193054815" free_energy=176.2514219083177 pbc="T F T"
O       0.17895518       0.29140871       0.11455359     -21.27711251     -78.44167429     -41.74812901 
O       1.31100439       1.64904689       2.78091226      22.89580495      58.37816305      -7.56150958 
O       1.60060722       0.01361598       1.35198705       0.97768153     -47.83055268      20.15389087 
O       2.81694361       1.56329927       1.27886142      -2.59637397      67.89406393      29.15574771