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=7824.601297907786 stress="-740.0743577789924 -24.42888279721673 -136.75239249140236 -24.42888279721673 -1464.8518819659164 -334.6071040429244 -136.75239249140236 -334.6071040429244 -1453.2055209623181" pbc="T F F"
Ds       0.21215358       0.34757445       0.29437891   -9265.05284913  -22286.67339156  -27505.55775283 
Ds       1.64728411       1.24428522       0.27282647    5060.67069770   14002.55109023  -12255.83269168 
Ds       1.42017124       0.15054525       1.23719215    6789.36237468  -15978.29106236   16150.30248185 
Ds       0.26536619       1.33043514       1.30007958   -2584.98022325   24262.41336370   23611.08796266