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=-0.7271173701666567 stress="1.590204909722155 -0.13583680577891222 -0.2616222850398837 -0.13583680577891222 1.392454164705747 -0.019464499905357147 -0.2616222850398837 -0.019464499905357147 1.3320106318846412" pbc="F F F" F -0.05972036 -0.07196862 0.27350540 0.37019416 0.43445650 0.35367387 F 1.65967517 1.24694741 0.26159125 -0.81438219 -0.17180850 0.69976303 F 1.33561764 0.07731463 1.79168826 -0.28967917 0.46032026 -0.57459756 F 0.23221331 1.63567382 1.21605407 0.73386720 -0.72296826 -0.47883934