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=431814.2762368729 stress="-68715.76837811657 14328.19432736571 -17977.337748973547 14328.19432736571 -64871.872501388716 -8574.924589200962 -17977.337748973547 -8574.924589200962 -60037.2876911175" pbc="T T F"
Ac       0.18584377       0.18362810       0.19581920 -573195.45653569 -170891.88304204 -878879.46912630 
Ac       1.56537167       1.72748741       0.17626233  208601.77087793  -20943.33741439 -378942.07602914 
Ac       1.35402479       0.20996341       1.49207130  855854.67385097 -319558.14740800  766689.51516750 
Ac       0.15300231       1.53848316       1.45774659 -491260.98819321  511393.36786443  491132.02998794