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=2.694912980973676 stress="-0.7695214797545746 -0.04684427643962261 0.09138635300145762 -0.04684427643962261 -0.5711992527718219 -0.07043203649151153 0.09138635300145762 -0.07043203649151153 -0.34991440978869603" free_energy=2.694912980973676 pbc="T F F"
O        0.16192607       0.03099333       0.19045800       4.04084372      -6.88949950      -4.22690854
O        1.57166715       1.42588762       0.17379638      -1.85134342       5.66561850      -2.99028626
O        1.40411058       0.03320948       1.44057204      -4.71833958      -3.71075722       3.24097962
O        0.20040666       1.55646809       1.53502127       2.52883928       4.93463822       3.97621518