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=-0.03715264361453278 pbc="T F F" H 0.10157036 -0.12574776 -0.28396241 1 0.00321707 0.01297302 0.01980108 H 1.77794252 1.53758849 0.11881683 1 0.01113625 -0.03261467 0.04911811 H 1.23311452 0.10823378 1.39397632 1 -0.06290007 0.08562398 -0.03369420 H 0.18387346 1.38222495 1.38068749 1 0.04854675 -0.06598233 -0.03522499