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=1972.8525616347813 stress="-8338.146515657023 -6373.774111371308 -948.8225510391342 -6373.774111371308 -10904.145412333339 1592.5965985033404 -948.8225510391342 1592.5965985033404 -6907.840667750141" pbc="F F F" Hs 0.27002037 -0.11769478 0.27407463 -7109.04687910 -8099.82281853 -1397.84594324 Hs 1.20388082 1.20077192 -0.08418533 5203.03519093 7163.83990153 -3122.92940255 Hs 1.35792719 0.24552504 1.60147504 2805.09997597 82.40939171 3847.27556596 Hs -0.20551730 1.55635936 1.28691080 -899.08828780 853.57352529 673.49977984