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=41.78148969200919 stress="-0.8634547883476094 0.02551538030169271 0.005403248107085318 0.02551538030169271 -0.7980594547389623 -0.013228092649007735 0.005403248107085318 -0.013228092649007735 -2.152471269054057" pbc="F F T" Cs 0.10170120 0.00082602 0.24624097 -7.77702801 -7.70403201 -1.06171199 Cs 1.64302402 1.35498893 0.11042859 7.58311225 6.84416494 -1.20724563 Cs 1.70947124 0.05280714 1.41333883 7.47141745 -7.25835368 1.02547687 Cs 0.15488783 1.55988540 1.20245745 -7.27750169 8.11822075 1.24348074