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=85.74118018013104 stress="-12.793191561769001 1.735169850583173 1.776415928529809 1.735169850583173 -9.803038968938031 0.3420806967212024 1.776415928529809 0.3420806967212024 -13.4475138436681" free_energy=85.74118018013104 pbc="T F T"
In       0.04683757       0.04263272       0.31077250     -19.66248337     -71.46016166     -27.91113113 
P       1.50795275       1.24043896       0.20434536      71.04251480     131.35281458     -76.74048159 
P       1.51635763       0.04797327       1.65944719      47.46330297    -140.71674092      43.00126232 
In       0.25900491       1.38008494       1.49341772     -98.84333440      80.82408800      61.65035040