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:Z:I:1:forces:R:3 energy=63.562169271886724 pbc="F T F" C 0.27219963 -0.06618674 0.13132919 6 -104.83691928 -111.66075737 -30.76403780 C 1.00978669 0.47592512 -0.21495266 6 89.84318785 60.44939860 -121.68542196 C 0.93365717 0.43460268 0.83343331 6 78.55598656 16.93898863 116.93390944 C -0.20414597 0.69809454 0.97094491 6 -63.56225513 34.27237015 35.51555032