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=8877.505431897072 stress="-1166.27421981661 -114.26943985959072 176.95645074560957 -114.26943985959072 -1359.489598799207 402.18566745853883 176.95645074560957 402.18566745853883 -1656.2965758672362" pbc="T T T" Lr 0.06760801 -0.08596500 -0.09743377 -10336.23026225 -7238.16691382 7050.34052683 Lr 1.32567180 1.20227585 0.19899681 6370.05232230 16490.63797598 -9546.02613918 Lr 1.26690439 0.18061168 1.57501918 8993.66885521 -15886.11775697 4772.87435767 Lr -0.12048560 1.37573638 1.65056515 -5027.49091527 6633.64669481 -2277.18874532