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=47.9385351112498 pbc="F T F" He 0.16308806 -0.03045835 0.02181300 2 -818.67934360 -2235.42244651 -850.37076046 He 0.23658381 0.17022250 0.09815006 2 819.19844966 2233.96666666 840.88777352 He 0.21746759 0.22214263 0.44080098 2 0.31494891 -1.34512906 8.73072064 He 0.11303616 0.57293679 0.53540083 2 -0.83405497 2.80090891 0.75226630