4 Lattice="1.5 0.0 0.0 0.0 1.5 0.0 0.0 0.0 1.5" Properties=species:S:1:pos:R:3:forces:R:3 energy=242.83817158626812 stress="-387.88834988813693 27.83963755907578 116.47288512599678 27.83963755907578 -225.08213762530283 33.382703960408264 116.47288512599678 33.382703960408264 -259.5319865418523" pbc="T F T" user01 -0.03396003 0.01361598 -0.14801295 -1896.59444036 -574.70371235 1078.44973783 user01 0.45160054 0.59834660 0.12111159 345.65301947 230.28501138 730.63764621 user01 0.52846858 0.09073906 1.02219963 2259.76604641 -676.02778416 -1126.37884237 user01 0.13670048 0.67718322 0.95788123 -708.82462551 1020.44648512 -682.70854167