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=29.614668911730078 stress="-2.7082464522147296 0.46046981176139273 -0.2832787793072604 0.46046981176139273 -3.2385404006748493 0.356788299599388 -0.2832787793072604 0.356788299599388 -1.7167151630341972" pbc="T T F" S -0.11798803 -0.06699407 0.22586561 4.35514881 -7.18814390 -17.69318619 S 1.79391194 1.22614529 0.02103145 -8.70488262 12.62592783 -20.17819982 S 1.27761356 0.18220204 1.39362841 10.99694686 -11.33240709 20.90121026 S 0.23573857 1.52724172 1.27538150 -6.64721306 5.89462317 16.97017575