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=5652.213706045321 stress="-16227.888240323078 -2336.365387338403 -4503.179859873982 -2336.365387338403 -29310.876295687467 11804.846933240031 -4503.179859873982 11804.846933240031 -26353.1856266575" pbc="F F F"
Db       0.17575917      -0.01178249       0.22695397   -8429.75754505   -8073.60271616   -7471.74184198 
Db       1.51788401       1.27617552       0.23552138    4187.60703212   19012.47375600  -14509.55805992 
Db       1.63580167       0.03056026       1.39182476    6829.95326458  -15165.73226305   17222.50973307 
Db      -0.06984487       1.28132058       1.57509000   -2587.80275165    4226.86122321    4758.79016884