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:Z:I:1:forces:R:3 energy=7806.028984660671 pbc="F T T" Lr -0.05037256 0.17878109 -0.17858568 103 -5811.95356055 -6491.54276306 2091.67433603 Lr 1.54462593 1.48947162 -0.01955691 103 5515.36482708 8523.50831573 -10205.97610297 Lr 1.44736968 0.10471950 1.05006113 103 12769.82119105 -17615.33601124 7800.52752360 Lr 0.26304176 1.30449530 1.42834380 103 -12473.23245758 15583.37045857 313.77424334