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=105.23427432752945 stress="-12.781343883238016 3.719579167177998 2.921522919305389 3.719579167177998 -11.94452067148468 -0.7896433441108318 2.921522919305389 -0.7896433441108318 -18.088040621678463" free_energy=105.23427432752945 pbc="F F T"
In       0.27410067       0.26988087       0.17980802     -83.29298202    -100.77251853     -69.47910638 
In       1.43886369       1.43626581       0.24706405     127.60887705      88.99291171    -120.13988155 
P       1.44011901       0.27405519       1.65064923     157.63614008    -165.49903382      59.36110838 
P       0.21143441       1.50744077       1.47140412    -201.95203511     177.27864064     130.25787956