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=289448.3141579142 stress="-49127.975851111725 -12729.930670505903 -1109.486084040636 -12729.930670505903 -55519.9940727666 -783.6781423796072 -1109.486084040636 -783.6781423796072 -25339.75876909397" pbc="T T F" Ce 0.26826519 0.06200921 0.12255250 -671126.29529552 -622504.62853550 -254218.42851070 Ce 1.39313458 1.29834557 0.14814700 639480.67308790 638354.51534469 -206290.47223155 Ce 1.44069530 -0.02672853 1.57334308 378900.15526211 -314689.61496433 231119.57842360 Ce 0.24036617 1.27735023 1.66642245 -347254.53305450 298839.72815514 229389.32231865