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=5.818480905226255 stress="-0.07571429668618831 -0.28398645908382525 -0.11814977150207526 -0.28398645908382525 0.17553912217885212 -0.08715692746636203 -0.11814977150207526 -0.08715692746636203 0.36430497847378174" free_energy=5.818480905226255 pbc="T T F" F 0.03277713 2.89971974 0.21813893 1.30024295 -11.50941564 5.06715862 F 1.26716069 1.69410236 0.22586561 -3.63147761 8.82633670 2.77078313 F 1.79391194 2.72614529 1.52103145 3.75000168 -6.82002648 -5.05660073 F 2.77761356 1.68220204 1.39362841 -1.41876702 9.50310542 -2.78134102