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=1.5583721328054243 stress="-0.11852892170448873 -0.000892917417922483 0.0011476177356218946 -0.000892917417922483 -0.08947402782974058 -0.0038228309099241496 0.0011476177356218946 -0.0038228309099241496 -0.13561631108068117" pbc="T F T" H 0.03848316 0.19178619 0.17895518 0.33949986 -0.86655593 -0.32424544 H 1.79140871 1.61455359 0.03253581 -0.48008355 0.88478933 -0.09870137 H 1.64904689 0.10609294 1.46603997 -0.45111775 -0.96879118 0.19267687 H -0.19401975 1.32157598 1.51361598 0.59170144 0.95055778 0.23026994