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=69.8002778812 stress="-54.364822552905856 0.5164089818579375 1.014832249048231 0.5164089818579375 -52.455135071360004 -2.867975911149936 1.014832249048231 -2.867975911149936 -51.89000097568685" pbc="F F F" U 0.26959405 0.17626233 -0.14597521 -60.33333397 -82.90215497 -104.65397162 U 1.70996341 1.49207130 0.15300231 88.12452150 83.93029281 -52.74177223 U 1.53848316 -0.04225341 1.41852158 59.03249300 -78.06289108 76.39875354 U -0.04210664 1.38825682 1.27041603 -86.82368053 77.03475323 80.99699031