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=2283.769325562563 stress="-13578.544965274417 -9446.087179225917 -2297.798586697979 -9446.087179225917 -11190.686205566317 -164.59094267311548 -2297.798586697979 -164.59094267311548 -4295.851543191586" pbc="F F F" Po 0.21124196 0.25288705 -0.14566370 -10488.97523811 -8592.73056483 -2604.40973581 Po 1.41153674 1.25676213 0.07652351 10432.58070772 9994.64243936 -162.34476256 Po 1.46153922 0.01217657 1.38235081 753.81044638 -1966.16402482 2082.96161682 Po 0.04794534 1.46517737 1.53485525 -697.41591599 564.25215029 683.79288156