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=94.76799134974623 stress="-14.200414592000323 -6.659533380457934 0.8221704269447653 -6.659533380457934 -16.774862673474026 -3.6156481215477134 0.8221704269447653 -3.6156481215477134 -9.823968157277855" free_energy=94.76799134974623 pbc="T T F"
In       0.01477119       0.29553441       0.00601457    -176.20515291    -181.75955711     -71.06716733 
P       1.20763472       1.42139044       0.12771106     194.31966130     122.46331040    -118.96655786 
In       1.27521450       2.80705263       1.26269441      42.86781814      37.62514084      81.94330510 
P       0.02805905       1.28502229       1.64120549     -60.98232654      21.67110587     108.09042009