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=29108.86743739159 stress="-4805.595579062056 -211.2846867201213 -1091.363380703575 -211.2846867201213 -4539.192808536217 -228.2932179663702 -1091.363380703575 -228.2932179663702 -3872.5512017127407" pbc="T F F" Mc -0.16104873 0.02597947 0.12137777 37001.48552781 -59415.76810959 -25869.40908933 Mc 1.75308090 1.25473120 0.02304398 -71200.82917915 37001.34257442 -55794.96200553 Mc 1.72541440 0.17891243 1.56874710 -42875.42062130 -42132.30900094 27134.54997158 Mc -0.17492774 1.32017602 1.21800042 77074.76427264 64546.73453611 54529.82112327