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=-1.360051906092845 stress="0.11211051727945763 0.023554502016425463 -0.013494086898719192 0.023554502016425463 0.07807241996766628 0.007361561526675923 -0.013494086898719192 0.007361561526675923 0.10938912605422393" pbc="T F T" user17 0.19256080 0.21287510 0.25312847 0.48558281 1.22235276 0.42840116 user17 1.23661301 1.37159463 0.20285893 -0.84876813 -1.01431444 0.49075472 user17 1.76489544 0.25337390 1.58473020 0.05866631 0.63763580 -0.25102986 user17 0.17437135 1.34625833 1.47406021 0.30451901 -0.84567412 -0.66812602