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=-1.3918059067300492 stress="0.12127692367341121 -0.011914113632847471 -0.017943761784686645 -0.011914113632847471 0.0736492915643901 -0.011194399349115168 -0.017943761784686645 -0.011194399349115168 0.11077382620496941" pbc="T F T" user20 -0.26143885 0.07593845 0.25995436 -1.00648014 0.94760767 0.59001199 user20 1.64075422 1.21510825 0.02750664 0.57852564 -1.10912436 0.37462288 user20 1.50666357 0.06618327 1.21632329 0.71595435 0.78687998 -0.84887546 user20 -0.08256030 1.22306965 1.64316085 -0.28799984 -0.62536328 -0.11575940