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=90923.7345814285 stress="-345543.65980900923 -179935.99947032056 -65809.53590469906 -179935.99947032056 -434495.2782760946 116844.69342210659 -65809.53590469906 116844.69342210659 -321896.9002001339" pbc="F F F"
Ba       0.29765980       0.24938443      -0.09248746 -203993.27743512 -179112.40868336 -105919.19477787 
Ba       1.72220487       1.47050854       0.10406520  181682.33887320  298521.33738598 -118793.82253237 
Ba       1.75675414       0.08348543       1.41666459   49681.41093813 -155326.22412288  177807.86818934 
Ba      -0.22257657       1.47985602       1.54714135  -27370.47237621   35917.29542026   46905.14912090