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=1971.0231763024506 stress="-367.06895992960466 -12.116299036779115 29.39408885327177 -12.116299036779115 -340.4073068539114 -76.78128571269283 29.39408885327177 -76.78128571269283 -276.2060697697185" pbc="T T F" Po -0.03068892 -0.24240520 0.08958489 -1389.54989682 2261.31342606 -1825.92175226 Po 1.27263584 1.54231125 0.13400545 1409.91966916 -4939.46779494 -3629.22411919 Po 1.53684472 -0.25050400 1.32565785 1895.54316547 5024.68368435 3436.12518963 Po 0.14896276 1.73659191 1.75944129 -1915.91293781 -2346.52931546 2019.02068181