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=-0.6338521928775662 stress="0.1895938920038912 -0.10942824803120739 0.0015889444152251738 -0.10942824803120739 0.15428036824767866 0.016755702427579906 0.0015889444152251738 0.016755702427579906 0.10140998478376567" free_energy=-0.6338521928775662 pbc="T F T" H -0.22238644 0.18220204 0.07469950 -0.35933521 1.97957550 1.30747855 H 1.73573857 1.52724172 -0.22461850 1.64430263 -1.57289043 0.04429359 H 1.20296332 0.22083292 1.11810287 -1.94423995 1.28548746 -0.96932634 H -0.01264569 1.42299150 1.40698366 0.65927254 -1.69217253 -0.38244580