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=-2.2678163984657385 stress="-0.4265266375099643 -0.0007398243598683209 -0.013250733946830032 -0.0007398243598683209 -0.4411060984476204 0.0031351950743144182 -0.013250733946830032 0.0031351950743144182 -0.4392237536143896" free_energy=-2.2678163984657385 pbc="T T T"
O       0.29920461       0.17918122       0.05957798      -0.24422962       0.52984968       0.30687734 
Fe       1.66192607       1.43566439       0.03099333       0.63508917       0.52405916      -1.42767201 
Fe       1.69045800       0.07166715       1.42588762       0.66986450      -1.18626118       0.77343640 
H       2.71223271       1.63807253       1.40411058      -1.06072404       0.13235234       0.34735826