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=45.765324055963795 stress="-3.1503889055313996 -0.1293776440663279 0.9247007900593053 -0.1293776440663279 -5.6708767353785685 -0.44182662632348124 0.9247007900593053 -0.44182662632348124 -6.2898445711930515" pbc="F T T"
Ti       0.27711528      -0.12128882      -0.24786923     -49.33231792      -8.04210498      36.21707384 
Ti       1.23125112       1.21824351       0.20944019      35.03757689      21.75431309       0.74329310 
Ti       1.26429260       0.32957941       1.71980528      53.19346964     -17.57631446     -25.75235013 
Ti       0.29977655       1.68543805       1.58422142     -38.89872861       3.86410634     -11.20801682