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=1427.0183418501665 stress="-270.0973710259214 108.72326936561466 123.87931571169658 108.72326936561466 -215.94812558529136 38.118004948720376 123.87931571169658 38.118004948720376 -258.5604719628948" pbc="F T T" Ds 0.22233733 -0.00638735 -0.22726514 -3860.12540899 -409.47258843 4329.58355120 Ds 1.52685280 1.69962258 -0.19268007 1008.49495659 -521.26856398 479.02671233 Ds 1.20097211 0.17472278 1.50777553 5689.29233636 -1889.15735622 -4152.93899103 Ds 0.07810155 1.38881849 1.52459374 -2837.66188397 2819.89850864 -655.67127250