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=620.8144974227988 stress="-35.687012220126796 1.1622855730795347 -0.8306963944808797 1.1622855730795347 -37.20814674535904 -0.0012036883154634122 -0.8306963944808797 -0.0012036883154634122 -36.6050532593063" free_energy=620.8144974227988 pbc="T T T"
Br       2.85540510       0.11115480       0.11044915      50.30134535     -39.96583306     -11.11927888 
Br       1.70960170       1.31143450       2.83833517     -77.65430590      17.27527767      11.01431298 
Br       1.28829595       2.71189181       1.64041416     -20.94966560      28.77841264     -18.11347051 
Br       2.77812781       1.51878885       1.32834452      48.30262615      -6.08785725      18.21843642