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=48.62459676807879 stress="-216.96764272798478 -11.98990203469996 -5.300386975062096 -11.98990203469996 -210.79204476095686 -4.434008855700313 -5.300386975062096 -4.434008855700313 -216.07790386709118" pbc="F F F" W 0.26959405 0.17626233 -0.14597521 -66.49032005 -79.70285670 -103.48068235 W 1.70996341 1.49207130 0.15300231 86.72710850 87.31967913 -51.49061899 W 1.53848316 -0.04225341 1.41852158 54.24604947 -73.48956518 80.83726607 W -0.04210664 1.38825682 1.27041603 -74.48283792 65.87274275 74.13403526