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=121.70721655071185 stress="-6.647841375625361 1.4724404750320068 -0.5395975308040205 1.4724404750320068 -10.632988017361242 -0.9929014663347424 -0.5395975308040205 -0.9929014663347424 -6.221079337596683" free_energy=121.70721655071185 pbc="F T F"
O       0.11041876       2.68737476       0.08611608     -74.42142452      15.52456489     -74.98228418 
O       1.53369179       1.52598936       0.29874826      68.58775460     -42.87617193     -62.83339453 
O       1.27290972       2.88090187       1.36136659      67.65967186      18.68390748      91.53428483 
O       0.05835534       1.24645637       1.48193431     -61.82600193       8.66769956      46.28139388