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=-4.151896238095546 stress="0.14754612580233326 -0.008823900179174263 0.03802075758505861 -0.008823900179174263 0.1320783733031467 -0.04687087336266383 0.03802075758505861 -0.04687087336266383 0.133788045689494" free_energy=-4.151896238095546 pbc="T F F"
O       0.20379337       0.42398401       0.02031036       1.70725178       0.28986480       1.55356969 
O       1.64206286       1.52015752       0.27711528      -0.81285306      -1.96552158       1.34444901 
O       1.37871118       0.13616082       1.26429260      -1.44492926       2.26244933      -2.23982002 
O       0.20296155       1.71980528       1.79977655       0.55053054      -0.58679255      -0.65819868