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=-0.9732793423437739 stress="0.09001591113877548 0.004788410014376769 0.00032272920379001677 0.004788410014376769 0.06109129636172015 -0.0015083291687786203 0.00032272920379001677 -0.0015083291687786203 0.06258071949770537" pbc="T F F" user16 0.14003332 0.05865258 0.28742775 0.38886554 0.73064980 0.62819577 user16 1.36585575 1.27484901 0.18124957 -0.33075861 -0.75174743 0.70269729 user16 1.49297127 0.15495584 1.45639133 -0.30691674 0.67954794 -0.71844033 user16 0.09126447 1.27459117 1.55321969 0.24880981 -0.65845030 -0.61245273