12
Lattice="8.31916 0.0 0.0 0.0 4.999471 0.0 0.0 0.0 9.998442" Properties=species:S:1:pos:R:3:forces:R:3 energy=-47.183523806270784 stress="-0.004498081942326669 1.2154013925358586e-09 6.590197964615834e-08 1.2154013925358586e-09 -0.004773058673730295 -3.5541361861419836e-13 6.590197964615834e-08 -3.5541361861419836e-13 -0.004549674656884639" pbc="T T T"
Ba       2.05629000       1.24987000       1.15200000      -0.01458220      -0.00001149       0.00317001
Ba       6.21587000       1.24987000       3.84722000      -0.01459977      -0.00001149      -0.00317058
Ba       2.10329000       3.74960000       6.15122000       0.01460997       0.00001149       0.00318407
Ba       6.26288000       3.74960000       8.84644000       0.01456406       0.00001149      -0.00314463
Br       5.34795000       1.24987000       0.71664000       0.00028702      -0.00001538       0.00928740
Br       8.10574000       3.74960000       1.68069000       0.00409927       0.00000710      -0.00940784
Br       3.94615000       3.74960000       3.31853000       0.00411745       0.00000710       0.00940809
Br       1.18837000       1.24987000       4.28258000       0.00027845      -0.00001538      -0.00928542
Br       7.13079000       3.74960000       5.71587000      -0.00027705       0.00001538       0.00926166
Br       4.37301000       1.24987000       6.67991000      -0.00411620      -0.00000710      -0.00940773
Br       0.21343000       1.24987000       8.31776000      -0.00411133      -0.00000710       0.00939679
Br       2.97121000       3.74960000       9.28180000      -0.00026986       0.00001538      -0.00929204