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=29.17617244892252 stress="-3.927949079574254 -0.16798527684179768 -0.12378707688689661 -0.16798527684179768 -3.944701041915664 0.60855499388527 -0.12378707688689661 0.60855499388527 -3.4880044476500536" pbc="T T F"
Ti       0.05988540      -0.29754255       0.16431082     -21.42644548      39.12622500     -50.77021967 
Ti       1.31425730       1.48844065       0.03277713      20.42327720     -18.36609155     -26.22170895 
Ti       1.23068471      -0.12633864       1.46097674      25.39653573      20.88870252      30.01064043 
Ti       0.00805869       1.71813893       1.26716069     -24.39336746     -41.64883597      46.98128820