108 Lattice="11.243986478449713 0.0 0.0 0.0 11.243986478449713 0.0 0.0 0.0 11.243986478449713" Properties=species:S:1:pos:R:3:forces:R:3 energy=-260.50961355421634 stress="-0.006214674639209085 0.00026096073168726977 0.0008059954747706336 0.00026096073168726977 -0.006777192165161269 -0.00034770503975358835 0.0008059954747706336 -0.00034770503975358835 -0.005765589022322037" free_energy=-260.50961355421634 pbc="F F F" Fe 0.02522424 0.01474553 0.03711021 -0.36579950 -0.45087310 -0.50870598 Fe 1.84870192 1.90409857 0.03652281 1.11835081 0.46458330 -0.79580286 Fe 1.85422386 0.01861960 1.87742173 0.96769683 -0.66422472 0.60615419 Fe 0.02989869 1.85742149 1.83886631 -0.96669281 0.90001626 1.02976584 Fe 3.71345075 0.00483891 0.00605839 -0.00089947 -0.19293152 -0.30950195 Fe 5.58881600 1.90423721 0.00285576 0.23757425 0.31310168 -0.58781127 Fe 5.60594765 0.03253146 1.84244455 -0.01895854 -0.65543438 0.74368794 Fe 3.77432450 1.88564349 1.90793710 -0.31873510 0.65065487 0.20835207 Fe 7.50105849 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Fe 3.71938121 1.86819519 9.40410939 0.14023688 0.75627092 0.25790669 Fe 7.49888152 0.03338558 7.53279143 -0.53770952 -0.54409910 -0.64855709 Fe 9.34714975 1.90330640 7.50449738 0.64665844 0.14423183 -0.52434372 Fe 9.36969389 0.01961910 9.39257862 0.23322100 -0.15678594 0.17708913 Fe 7.51148904 1.90309235 9.38083001 -0.74962076 0.43323951 0.47317708 Fe 0.02659158 3.71434033 7.50287779 -0.53556776 0.29373115 -0.69679723 Fe 1.88187767 5.63391727 7.53251311 0.79624081 -0.22869096 -1.21945908 Fe 1.87992985 3.78399428 9.36748771 0.59719883 -0.29951704 0.49346460 Fe 0.03054797 5.62387205 9.35816128 -0.67860032 -0.11854962 0.43556625 Fe 3.78271252 3.76485561 7.49036974 -0.23369752 -0.02783896 -0.78755920 Fe 5.63800164 5.64487943 7.50430228 -0.06841728 -0.51159183 -0.58134831 Fe 5.59154607 3.70125254 9.38217220 0.32977914 0.28595680 0.14444692 Fe 3.75679447 5.58664984 9.40451118 0.16521398 0.33835496 0.15437730 Fe 7.52545320 3.77819761 7.48844626 -1.38114284 -0.17017448 -0.59882196 Fe 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9.36422572 9.35847810 -0.52292735 0.53974010 0.60093001