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=-2.834722901542042 stress="0.24184929408181485 -0.05229390679106672 0.005812549725563936 -0.05229390679106672 0.25136604818156383 0.032043498522713036 0.005812549725563936 0.032043498522713036 0.22500624824241394" pbc="F T F" H 0.13616082 -0.23570740 0.12968218 2.35191726 -1.24585824 2.06248262 H 1.71980528 1.79977655 0.18543805 -2.39432410 1.84766898 1.91673108 H 1.45460942 -0.16107217 1.69989723 -2.06633996 -1.14570517 -2.42899986 H 0.12961200 1.37425859 1.65720406 2.10874680 0.54389444 -1.55021385