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:Z:I:1:forces:R:3 energy=-0.015768907483335867 pbc="F T F" H -0.29272122 0.18006535 -0.06921775 1 0.02600053 0.02636020 0.00587853 H 1.23033094 1.35212104 -0.25344640 1 -0.03043229 -0.02406790 0.02664775 H 1.36001825 0.27016741 1.59729554 1 -0.03727348 0.02031623 -0.01364710 H 0.06653920 1.63074097 1.55548258 1 0.04170524 -0.02260854 -0.01887918