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=4.73175405533626 stress="-65.38440205851172 -20.31288015074599 7.820828714258198 -20.31288015074599 -58.13733974919548 -2.067235246594734 7.820828714258198 -2.067235246594734 -55.938407667942656" pbc="F F F" U -0.06014611 0.13855764 -0.06064441 -32.34966031 -28.86407389 -11.40265592 U 1.37606539 1.36562556 -0.14087824 35.19483060 26.53639609 -21.58610622 U 1.56808041 -0.11785370 1.56484109 10.50694885 -12.47777612 12.05044253 U 0.10990264 1.64988827 1.59271903 -13.35211914 14.80545392 20.93831961