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=-0.02567643139959392 stress="0.005847652111532182 5.3826821748129486e-05 0.0019828489743309472 5.3826821748129486e-05 0.0038453886325890752 0.00017728810867992205 0.0019828489743309472 0.00017728810867992205 0.004749131384425194" pbc="T F F" H 0.24499579 0.10491190 0.07343925 0.01288011 0.03915396 0.03377298 H 1.71568946 1.55632946 0.17654183 0.02648403 -0.03139067 0.05981826 H 1.41468440 0.10681190 1.69446068 -0.01356663 0.02997599 -0.03435478 H -0.03271649 1.65029084 1.40208270 -0.02579751 -0.03773927 -0.05923646