4 Lattice="1.5 0.0 0.0 0.0 1.5 0.0 0.0 0.0 1.5" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3.1728912968238903 stress="3.662372763018712 -1.741401936870605 -0.3376380796360926 -1.741401936870605 5.990499451190615 -2.768591321037334 -0.3376380796360926 -2.768591321037334 2.011346091345987" pbc="F F T" user01 0.20070203 -0.29657041 -0.09914834 -1.29780618 2.72523634 -3.65603973 user01 0.74793547 1.03187239 0.15303594 -1.66117954 -3.04879178 0.29906376 user01 0.73453339 0.10170120 0.62793365 -1.30784226 3.51125813 1.76357829 user01 -0.28095614 0.75082602 0.99624097 4.26682798 -3.18770269 1.59339768