4 Lattice="1.5 0.0 0.0 0.0 1.5 0.0 0.0 0.0 1.5" Properties=species:S:1:pos:R:3:forces:R:3 energy=334.7117464008969 stress="-510.5373008943375 22.097932331176608 -370.13458631667015 22.097932331176608 -140.4645355037396 -79.64702708448893 -370.13458631667015 -79.64702708448893 -440.18694673108484" pbc="T T F" user01 0.07188492 0.19581920 0.14685009 -2127.87833583 -862.34620945 -2193.52261843 user01 1.01959405 0.92626233 0.20996341 -877.80357975 381.00680671 -1056.51322876 user01 0.51248733 0.34478850 0.56939542 2756.08627246 182.60284781 1957.42789082 user01 -0.04225341 0.77461451 0.70789336 249.59564313 298.73655493 1292.60795636