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=18.323104014010276 stress="-4.5322751065093945 -0.046141476787458405 0.4099960204599662 -0.046141476787458405 -3.938560250060374 0.4651342284975681 0.4099960204599662 0.4651342284975681 -3.3120561836925515" pbc="T F F" W -0.09704662 0.10338854 0.24759167 24.46457753 -32.99353258 -29.33399375 W 1.61018303 1.42518197 0.18843096 -12.42394392 46.64358591 -38.91923441 Re 1.67061300 0.29169807 1.46863002 -28.02946025 -51.55339937 47.37452797 Re -0.05369362 1.53851086 1.64982991 15.98882663 37.90334604 20.87870019