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=-1.3306257854144445 stress="0.07265165384851936 -0.009635838827855167 -0.02390273032687519 -0.009635838827855167 0.1093370727244035 -0.008170616751558609 -0.02390273032687519 -0.008170616751558609 0.11212823299113696" pbc="F T T" user10 0.13955405 0.09562405 -0.25983031 0.66498200 0.17586029 -0.14252387 user10 1.31608847 1.54134550 0.17174984 -0.93078348 -0.23562562 0.68742909 user10 1.27760703 0.16376305 1.37153985 -0.90347195 0.52925151 -0.08807453 user10 0.27784770 1.43471448 1.34438240 1.16927343 -0.46948618 -0.45683069