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=12003.29171534134 stress="-1280.2142686399015 473.16697342286835 -264.17652910030876 473.16697342286835 -2081.9101841739152 -511.47980059844417 -264.17652910030876 -511.47980059844417 -2215.5492873579533" pbc="F T T" Mc 0.09821925 -0.20725412 -0.17530215 -18207.68882700 13945.40281536 9083.04227456 Mc 1.49600325 1.75187033 -0.06617988 18340.61685106 -29281.04681529 -8896.22660851 Mc 1.61426996 -0.26690289 1.34840049 5600.60360749 18414.58894607 12277.88331063 Mc 0.02169307 1.31319727 1.72217751 -5733.53163155 -3078.94494614 -12464.69897668