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=255477.8474814956 stress="-39543.88352907536 7335.6377417122085 -4234.850220066124 7335.6377417122085 -38888.59273066354 8355.175581007214 -4234.850220066124 8355.175581007214 -35766.621439241164" pbc="T F F" Pa 0.13163737 0.14340060 0.07541552 -407126.92236612 -183105.86876032 -383996.70111172 Pa 1.45754393 1.23967330 0.15315311 225851.80735659 513913.17142605 -396918.89290180 Pa 1.23398677 0.12205093 1.27270109 581147.92876838 -764851.46487101 576163.66194509 Pa 0.12729586 1.22687029 1.57343245 -399872.81375884 434044.16220528 204751.93206842