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=268.35419305728647 stress="-33.9304830386917 13.05491960741691 15.973634952637703 13.05491960741691 -34.5711521654112 -1.3875762834932897 15.973634952637703 -1.3875762834932897 -29.26983335903159" free_energy=268.35419305728647 pbc="T T T"
In       0.27559981       2.71321713       0.21736445    -403.26380348     293.33787846     210.54979509 
P       1.28604778       1.70384132       2.63844683      74.95321531    -478.71664000     243.03492100 
P       1.23214964       0.00041025       1.75551247      55.42158625     239.86869995    -236.72378933 
In       2.56020048       1.46152105       1.72068909     272.88900192     -54.48993841    -216.86092676