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=42.43654589662791 stress="-122.2921243568388 23.067199067149257 -8.058631943796584 23.067199067149257 -132.8229242231679 4.404996686630682 -8.058631943796584 4.404996686630682 -115.53657841424584" pbc="F F F" W -0.12320595 -0.04105180 0.20259391 -44.52298587 -30.98685001 -28.58685242 W 1.56504129 1.20865944 -0.13449789 32.82811412 26.23201588 -40.58472091 W 1.28802619 0.22277084 1.68584377 57.29977903 -62.30748949 50.11913848 W 0.18362810 1.69581920 1.64685009 -45.60490728 67.06232362 19.05243485