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=35.52477552573803 stress="-3.057387136884285 0.1658321972632977 0.9625030878568047 0.1658321972632977 -2.6157920834405917 0.5680641395961835 0.9625030878568047 0.5680641395961835 -3.8694111286132973" free_energy=35.52477552573803 pbc="F F T" Fe 0.29874826 0.05835534 -0.25354363 -31.24026213 -26.31769969 16.68431731 Fe 1.48193431 1.42001865 0.20070203 30.06428337 25.86373451 -15.86049239 Fe 1.20342959 0.28187239 1.51001192 42.85043035 -31.75885016 -6.70219855 Fe 0.10170120 1.37793365 1.21904386 -41.67445159 32.21281534 5.87837363