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=-1.0801883121538607 stress="1.8873301419565491 0.022071771071947632 -0.06748605287561016 0.022071771071947632 1.9735092551118554 -0.07067249761699201 -0.06748605287561016 -0.07067249761699201 2.4143526528225414" pbc="F F F" F 0.26809539 -0.15467392 -0.16313493 0.80085373 0.38917626 0.95181929 F 1.50166072 1.31074379 0.21960518 -1.09542554 -0.65922321 1.02587852 F 1.22580565 -0.10501551 1.22237125 -0.57822178 0.83809752 -1.23516337 F 0.28839545 1.69215195 1.31244784 0.87279360 -0.56805057 -0.74253444