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=-1.437240358933557 stress="0.0733604304464337 0.007032806390981345 -0.0018746477105532468 0.007032806390981345 0.11900233715728847 0.007989934145668431 -0.0018746477105532468 0.007989934145668431 0.1242499753454198" pbc="F T T" user17 0.22013396 -0.28109068 -0.16048784 0.84783775 -0.67230892 -0.06433276 user17 1.32392566 1.48494800 0.09812930 -0.82770177 0.52410477 0.25959589 user17 1.24735059 -0.13406543 1.26508533 -1.01580188 -0.72775466 -0.22889493 user17 0.19635821 1.71733781 1.49370326 0.99566589 0.87595882 0.03363180