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=-3.053609303884823 stress="0.05540636947620063 -0.016410683026896328 0.013623640047659393 -0.016410683026896328 -0.026643090541069264 -0.0013685649359142865 0.013623640047659393 -0.0013685649359142865 -0.17214653144732964" pbc="T T F" W 0.26599513 0.17918122 0.05957798 -0.28629554 -0.66759575 -3.12406994 H 1.61934763 1.49509235 0.03099333 0.55772720 0.62510059 -0.30559895 H 1.56298002 0.10487664 1.42588762 0.59938644 -0.10637753 1.28205159 He -0.28776729 1.61436842 1.40411058 -0.87081810 0.14887269 2.14761730