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=2.22657662277288 stress="-0.004839619662186652 0.000481274009748123 -0.0006382784160423536 0.000481274009748123 -0.004846736783962347 -0.0003446675787022033 -0.0006382784160423536 -0.0003446675787022033 -0.005059226255393291" free_energy=2.22657662277288 pbc="F F F" Fe 20.88909689 21.11115480 21.11044915 -6.68799206 -5.64227489 -10.75305021 Fe 22.70960170 22.31143450 20.86432452 -10.20414701 17.33118350 -7.43196802 Fe 22.01159245 20.83509776 22.60416852 9.99579464 -9.70314026 1.08443310 Fe 21.07687608 22.51878885 22.32834452 -6.46912330 8.52716954 3.71139156 Fe 23.64970377 20.95894820 21.08349577 12.22537942 -20.48900601 1.82811748 Fe 25.42640788 22.26701478 20.84743642 2.48538214 1.26662660 -3.45116028 Fe 25.20804484 21.22277084 22.68584377 3.56813356 -31.78411633 -36.17016122 Fe 24.18362810 22.69581920 22.84755212 -17.09488340 -12.85201788 -10.66971591 Fe 21.26959405 24.17626233 20.85402479 -10.54351063 -7.70330204 -17.95272062 Fe 22.70996341 25.49207130 21.15300231 -5.57265448 17.94905865 -19.86800037 Fe 22.53848316 23.95774659 22.12195116 -4.37580084 -14.86737227 15.98723787 Fe 20.95789336 25.38825682 22.17126769 -7.61873409 10.37387134 8.17146469 Fe 24.19178619 24.17895518 21.29140871 -10.18463514 -14.39640469 -46.21271673 Fe 25.61455359 25.53253581 21.14904689 5.48283443 7.15860621 -4.48896832 Fe 25.28091226 24.10402841 22.46603997 40.82060679 -2.49432196 15.77249568 Fe 23.80598025 25.32157598 22.51361598 4.98525496 28.56144244 18.14942300 Fe 20.85198705 21.25754780 24.07331119 -14.40592630 -9.59349488 -5.78634264 Fe 22.42198781 22.27846858 24.09621549 6.98087759 10.51083704 -3.12353756 Fe 22.34126820 20.84140700 25.31668137 4.40677815 -9.02097525 8.16823894 Fe 20.79779760 22.24396547 25.59073906 -3.35958126 8.31073860 10.70848086 Fe 24.27219963 20.93381326 24.13132919 -15.58180900 -10.65702115 6.72885988 Fe 25.75978669 22.22592512 23.78504734 24.14737756 23.89013492 25.67267036 Fe 25.40270103 21.20371324 25.58343331 8.18455491 -3.86161023 9.07332927 Fe 24.04209500 22.59111856 25.57593385 -5.58407893 0.74265597 4.98468635 Fe 21.23171545 24.18190327 23.93226357 -8.44357817 -8.26838515 -8.63246028 Fe 22.71219253 25.42485375 24.12990665 -4.48055251 15.50194778 -9.66953168 Fe 22.28220450 24.28278197 25.56210000 21.83972972 -37.41297259 15.96626117 Fe 21.13362859 25.32702941 25.42547280 -33.55298765 31.72640803 4.46142247 Fe 24.04852473 24.05473499 23.91561068 -8.99728412 1.10216989 12.16059956 Fe 25.63661615 25.40480033 23.93000218 5.70240279 9.98434961 -1.80168646 Fe 25.29869006 24.11041876 25.26735611 14.38101934 -6.12351642 11.13618632 Fe 23.83533445 25.24148635 25.58611608 7.95115289 11.93273188 12.24672175