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=89.34677271882798 stress="-6.306355860526399 0.8905208548552778 -0.2944640044121612 0.8905208548552778 -3.8818136972025554 -0.15688378332380276 -0.2944640044121612 -0.15688378332380276 -3.3001931005167537" free_energy=89.34677271882798 pbc="T F F"
In       2.93745442       0.09073906       0.27219963      -7.96052846     -38.77027191     -40.89252818 
In       1.43381326       1.63132919       0.25978669       8.20204626      25.23444866     -27.62212179 
In       1.22592512       0.18365717       1.70288723      32.71812830     -44.61513381      32.16858515 
In       0.08343331       1.29585403       1.44809454     -32.95964610      58.15095706      36.34606482