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=-2.2826288197129743 stress="0.17202660969497727 0.009390341873366148 0.01554514394805329 0.009390341873366148 0.17149209989474148 0.0028557639028398336 0.01554514394805329 0.0028557639028398336 0.18096109995985135" pbc="T T T" F -0.16594020 -0.04673778 -0.11362770 -0.50593880 0.34177625 -0.69203413 F 1.23146368 1.22824097 -0.15892452 -0.20098402 -0.24884770 -0.33706166 F 1.79237307 -0.29782103 1.61264608 0.96531554 0.08644630 0.73377438 F -0.09143080 1.23953465 1.43225639 -0.25839272 -0.17937486 0.29532142