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=66.8359140666 pbc="T F F" H 0.20570585 -0.06660757 0.45038226 1 -113.10130838 -87.37822236 -54.56890656 H 0.86030143 0.62813981 0.46417544 1 68.08229782 151.04383421 -75.64051199 H 0.91883339 0.02811261 0.70044332 1 115.24424743 -126.65045711 68.73156213 H 0.11363207 0.71589318 0.95292632 1 -70.22523687 62.98484525 61.47785642