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=-12.190533812870871 stress="-0.04830343969496331 0.014941995336483653 0.07111258138739698 0.014941995336483653 -0.1500136300613771 0.0007046092276547076 0.07111258138739698 0.0007046092276547076 -0.10511637976320382" free_energy=-12.190533812870871 pbc="F T F"
O        0.07094765      -0.15261247       0.15075815       0.50820532       0.43342512       0.35966004
Fe       1.26410200       1.46545771       0.10260142       0.83371945      -0.40335918      -2.26279868
H        1.38979218       0.02734297       1.63185401       0.17907680       0.05587929       0.63751992
Fe       0.02278034       1.63760260       1.56109240      -1.52100157      -0.08594523       1.26561873