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=-1.3737209572172664 stress="0.08602438178893111 -0.0012969947193713545 0.009970303182777947 -0.0012969947193713545 0.09614262832972366 0.0382441746603395 0.009970303182777947 0.0382441746603395 0.11777699229891392" pbc="T F T" user12 0.20261225 0.13763505 0.24496408 0.37542057 0.99082011 0.42858600 user12 1.55004619 1.27201764 -0.28183244 -0.38385558 -1.09488166 -0.57559727 user12 1.36677129 0.17437624 1.69108575 -0.38531341 1.24109986 0.46948730 user12 0.23848067 1.36840779 1.23606942 0.39374842 -1.13703831 -0.32247604