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=-1.2820920855256022 stress="0.10085438800486303 -0.002723338399470571 0.00757025505728219 -0.002723338399470571 0.10004975397104558 0.009318153071897874 0.00757025505728219 0.009318153071897874 0.09589819153981172" pbc="T T T" user13 0.17645192 0.14955028 0.20300601 0.34085461 0.26270181 0.62624701 user13 1.52487847 1.67603777 -0.19043305 -0.09969669 -0.07107166 0.08496695 user13 1.43751934 0.25158839 1.32504580 -0.37319206 0.19593212 -0.36155452 user13 0.01586335 1.48669523 1.27317143 0.13203413 -0.38756227 -0.34965944