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=-0.7300642350275852 stress="0.0436173789634573 -0.002612623017164003 0.002658283122044652 -0.002612623017164003 0.050031268521485574 0.012123089149578156 0.002658283122044652 0.012123089149578156 0.067952053650979" pbc="F F T" user09 0.13720548 0.20067869 0.25982063 0.40846491 0.60492786 0.47705645 user09 1.61938902 1.63820114 0.13048667 -0.35700217 -0.31023960 0.12496081 user09 1.53306727 0.07299253 1.56270995 -0.51025858 0.45450906 -0.13792871 user09 0.27609943 1.33099953 1.43974694 0.45879584 -0.74919732 -0.46408856