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=-0.016898557719834464 stress="0.02163540850650785 -0.016449664310289526 0.02175178622368714 -0.016449664310289526 0.029735759252916213 -0.004112699418767775 0.02175178622368714 -0.004112699418767775 0.03563777442271971" free_energy=-0.016898557719834464 pbc="T F T" H 2.55907146 0.18107110 2.82825321 -0.80227926 0.53063724 -0.60549968 H 1.63102478 1.59995250 0.26120756 0.27700377 -0.60452731 -0.01187814 H 1.51193751 0.25226748 1.46431997 0.51489156 0.03629708 0.55379030 H 0.06427536 1.57236142 1.70379337 0.01038394 0.03759299 0.06358752