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=3.754687730379433 pbc="T T F" H 0.03746954 -0.29821528 0.29874826 1 0.30752202 18.70855047 -18.22206609 H 1.28292164 1.38090187 -0.13863341 1 2.79511069 -2.58112035 -3.56389605 H 1.55835534 -0.25354363 1.48193431 1 -2.58883759 4.54039908 4.79276587 H -0.07998135 1.70070203 1.20342959 1 -0.51379511 -20.66782921 16.99319628