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=-0.7378384086166583 stress="0.06577110274353791 0.02274705860676564 -0.0020580328356763038 0.02274705860676564 0.05877039329140794 -0.0028238096871415702 -0.0020580328356763038 -0.0028238096871415702 0.037332517685837244" pbc="T F F" user03 0.59085112 0.07085341 0.20765762 0.14187480 0.49226869 0.48968687 user03 1.22634987 1.79941308 0.19800042 -0.13511576 -0.44761435 0.24020765 user03 1.72115254 0.07939513 1.66224838 0.33104037 0.67672624 -0.43454346 user03 -0.17285006 1.20597256 1.47250950 -0.33779941 -0.72138058 -0.29535106