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=-17.11363825601211 stress="17.680219027942293 9.947831562198772 -11.00690245193411 9.947831562198772 8.161753490443292 -1.2140466683578435 -11.00690245193411 -1.2140466683578435 8.81916070163172" pbc="F F F" H -0.27442627 -0.09022051 0.14408857 5.20747584 5.22476903 -1.02533213 W 1.47537525 1.70902946 -0.20409991 -10.07850803 -4.83104519 5.43796682 He 1.61641465 0.07826368 1.50834121 -0.04606589 -0.79218029 0.81258115 H -0.26582914 1.57614550 1.68168807 4.91709808 0.39845645 -5.22521584