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:Z:I:1:forces:R:3 energy=41211.204396944166 pbc="F T T"
Bk       0.14676236      -0.20782593      -0.04614391       97  -78557.96686198   61127.74450176  -16918.69079983 
Bk       1.23561845       1.70706088       0.22632529       97   80141.82983386  -61881.85857531   11371.21519233 
Bk       1.22377423       0.17079289       1.34828464       97   95668.04007895  -92944.37760771  -20268.49134960 
Bk       0.29001949       1.29180699       1.76729681       97  -97251.90305083   93698.49168127   25815.96695710