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=-0.014706168793101448 pbc="F T T" H -0.22395333 0.06883296 -0.06332502 1 0.01057364 -0.01880588 0.00799348 H 1.79387813 1.68977955 0.04195200 1 -0.00751479 0.03050153 -0.00702750 H 1.47246851 -0.00566117 1.63217488 1 -0.01410476 -0.03743578 0.01431042 H -0.26382912 1.68954733 1.33084457 1 0.01104591 0.02574013 -0.01527641