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:forces:R:3 energy=-28.315040834241685 stress="-0.3307255847759916 0.07373069238191284 0.2033119280542213 0.07373069238191284 -0.5851642558983036 0.6123303942172172 0.2033119280542213 0.6123303942172172 -0.6814666908294711" pbc="F F T" W 0.20725935 0.26229955 -0.24905719 -4.11917430 -16.30508320 27.03141370 He 1.40666381 1.60629828 0.24069365 0.89041495 0.89231471 0.77084610 H 1.39713212 0.18964090 1.54519212 6.12031257 0.01904658 -8.61987404 H 0.00694146 1.21083877 1.57114115 -2.89155322 15.39372191 -19.18238576