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=-0.9180060480602156 stress="0.0581746017720655 0.0026029099903462777 0.009839181194101813 0.0026029099903462777 0.08227428919751648 -0.01226722667698401 0.009839181194101813 -0.01226722667698401 0.05996809318406851" pbc="F T F" user17 0.10613298 -0.27471505 0.27600356 0.82123860 -0.36310701 0.99194579 user17 1.70236680 1.60383606 0.01389111 -0.37076586 0.10727641 0.38773656 user17 1.35044024 0.07368820 1.25997030 -0.83483373 -0.25852220 -0.61513586 user17 0.26198758 1.64542405 1.46917456 0.38436099 0.51435280 -0.76454649