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=695.8566076081205 stress="-77.78773016321102 31.701541510192094 -20.239115681973846 31.701541510192094 -151.3492857604073 33.3872157931525 -20.239115681973846 33.3872157931525 -116.93412487724372" pbc="F T T" Tl 0.24328416 0.15900119 0.08456187 -1022.98794503 -427.71960529 916.51365284 Tl 1.30006052 1.73777074 0.12287350 1325.30757555 -702.96584848 111.86398784 Tl 1.75912629 0.09357739 1.55208891 356.84398857 90.69256335 102.74645253 Tl 0.00237911 1.25691430 1.73637327 -659.16361909 1039.99289042 -1131.12409321