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=1.9532840945341168 stress="-0.48370603858956185 -0.10541912618933019 -0.08577053156045274 -0.10541912618933019 -0.5380473546090917 0.13117736395860147 -0.08577053156045274 0.13117736395860147 -0.5667084703394496" pbc="F F T" H 0.21211731 0.29594673 0.21042663 -6.39088398 -8.69341526 -1.83978570 H 1.49042854 1.35687199 0.20775101 5.97546579 8.23354665 -2.92717290 H 1.74122900 0.02201293 1.31634348 3.23511152 -4.47802279 4.04142486 H 0.04376171 1.22051529 1.69273990 -2.81969333 4.93789140 0.72553374