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:Z:I:1:forces:R:3 energy=-3.5265124031068664 pbc="F F T" H 0.02031036 0.18745344 0.02015752 1 2.40290140 1.73667073 0.45446980 H 1.37970777 1.77711528 -0.12128882 1 -2.12031904 -1.41814408 -0.69508856 H 1.25213077 -0.26874888 1.21824351 1 -2.41142116 1.78019624 -0.79854407 H 0.13616082 1.26429260 1.62968218 1 2.12883881 -2.09872289 1.03916283