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=-2.167490379747205 pbc="T F F" H 0.11455359 0.03253581 0.14904689 1 1.62585286 1.88888090 2.52856893 H 1.28091226 1.60609294 -0.03396003 1 -0.92641852 -1.65564242 1.47580072 H 1.30598025 -0.17842402 1.51361598 1 -1.13414051 1.43249563 -2.03045383 H -0.14801295 1.47567541 1.56329927 1 0.43470617 -1.66573411 -1.97391582