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=-104.103256414 pbc="T T F" He 0.18051743 0.10436534 0.18362810 2 -2.22352284 -6.36844275 54.23615808 He 1.69581920 1.64685009 0.26959405 2 7.02268443 9.80899766 57.95811690 He 1.67626233 0.04581097 1.49087566 2 5.46739455 -12.93391407 -56.22611998 He 0.09816423 1.65300231 1.50452313 2 -10.26655614 9.49335916 -55.96815501