32 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-27.007072907842286 stress="-0.00368017342629182 0.00018282978535057775 -0.0004116741176545719 0.00018282978535057775 -0.0035692118494464486 -0.00025151207268476745 -0.0004116741176545719 -0.00025151207268476745 -0.0038465350616004737" free_energy=-27.007072907842286 pbc="F F F" Fe 20.88909689 21.11115480 21.11044915 -3.25317566 -5.50944575 -5.92892713 Fe 22.70960170 22.31143450 20.83833517 -7.48224837 13.00288212 -6.66995515 Fe 22.28829595 20.83509776 22.66640352 4.68485630 -4.99003334 0.19863648 Fe 21.07687608 22.51878885 22.32834452 -5.12603082 4.17656656 4.21136090 Fe 23.64970377 20.95894820 21.08349577 8.54100249 -15.26081274 -0.61645381 Fe 25.42640788 22.26701478 20.86550211 4.40152151 1.31411931 -5.78352770 Fe 25.28802619 21.22277084 22.68584377 3.10062006 -23.06827591 -23.14407320 Fe 24.18362810 22.69581920 22.39330646 -11.78495541 -10.37485167 5.71066025 Fe 21.26959405 24.17626233 20.85402479 -4.90025791 -5.86795859 -9.68459353 Fe 22.70996341 25.49207130 21.15300231 -3.83374014 10.46141411 -12.89068833 Fe 22.53848316 23.95774659 22.40045588 -4.79925167 -8.26116826 3.28098169 Fe 20.95789336 25.38825682 22.27041603 -5.49069552 7.42563017 4.47229776 Fe 24.19178619 24.17895518 21.29140871 -8.65346990 -7.09967898 -33.59823587 Fe 25.61455359 25.53253581 21.14904689 4.70116348 6.62886691 -4.21026087 Fe 25.28091226 24.10609294 22.46603997 28.37498788 -8.55914041 6.37476767 Fe 23.80598025 25.32157598 22.51361598 3.66914616 23.37070834 9.96561583 Fe 20.85198705 20.97567541 24.06329927 -10.73278185 -4.99376241 -3.96442414 Fe 22.35747307 22.27846858 24.19521631 5.70010018 9.71584800 -6.73417128 Fe 22.34126820 20.84140700 25.31668137 5.88704092 -10.50351069 8.53339618 Fe 20.91986395 22.24396547 25.59073906 -5.23984165 6.00902203 6.35498335 Fe 24.27219963 20.93381326 24.13132919 -12.63069787 -5.33301401 1.69581344 Fe 25.75978669 22.22592512 23.78504734 13.10483552 20.11570840 18.09277218 Fe 25.38708675 21.10373889 25.58343331 5.09653596 -0.77387949 7.81931758 Fe 23.79378950 22.72996693 25.70547830 -0.16112987 -2.19920728 3.37324634 Fe 21.23171545 24.18190327 23.92353618 -9.83566982 -7.46893362 -3.74759437 Fe 22.71219253 25.42485375 24.12990665 -3.38692793 14.93783142 -7.38414246 Fe 22.28220450 24.28278197 25.56210000 11.95594646 -25.19417517 12.54939148 Fe 21.13362859 25.32702941 25.44827795 -22.09934061 20.95528446 4.24458551 Fe 24.04852473 24.05473499 23.91561068 -4.95706882 -10.72322697 4.78736894 Fe 25.63661615 25.40480033 23.59623890 6.00441700 11.31079104 6.37712020 Fe 25.29869006 24.11041876 25.26735611 12.87265636 -3.57338299 6.03102646 Fe 23.83533445 25.24148635 25.58611608 6.27245353 10.32978541 10.28370559