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=141.04287595584603 stress="-11.611606471476701 0.5554048587706284 4.057832955540629 0.5554048587706284 -10.562962410156416 0.02436159710882036 4.057832955540629 0.02436159710882036 -8.999754470544008" free_energy=141.04287595584603 pbc="T T F"
O       2.78802619       0.26125400       0.18584377     122.57014514     -20.11236058    -133.89032113 
O       1.68362810       1.65356579       0.14685009     -31.32001929      25.20042742     -59.30116413 
O       1.76959405       0.17626233       1.35402479     -77.24868643     -26.05511851     143.02586636 
O       0.40174959       1.49207130       1.65300231     -14.00143942      20.96705167      50.16561889