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=27.837168050065213 stress="-0.0062938285624612915 0.0003665214865900769 -0.0005325731404998654 0.0003665214865900769 -0.005977772880172566 -0.00038265408682906977 -0.0005325731404998654 -0.00038265408682906977 -0.006772239255679713" free_energy=27.837168050065213 pbc="F F F" Fe 20.88909689 21.11115480 21.11044915 -9.49475310 -8.48907551 -16.41232792 Fe 22.70960170 22.31143450 20.86432452 -9.41252476 12.87790575 -6.16049694 Fe 22.01159245 20.83509776 22.60416852 18.71056653 -16.89936747 -4.64615036 Fe 21.07687608 22.51878885 22.32834452 -14.37122293 10.44892294 -2.46639611 Fe 23.87679405 20.95894820 20.97550362 2.29201173 -20.39361617 -0.67470022 Fe 25.44594316 22.07002603 20.92385746 12.17833587 7.46936851 -11.39691062 Fe 25.28802619 21.22277084 22.68584377 2.74632489 -42.08928574 -38.99059081 Fe 24.18362810 22.69581920 22.39330646 -12.74065362 -9.84225358 7.55168350 Fe 21.26959405 24.17626233 20.85402479 -6.86948399 -12.64621621 -18.14600216 Fe 22.70996341 25.49207130 21.15300231 -7.23325232 17.10404939 -22.45378410 Fe 22.53848316 23.95774659 22.40045588 5.61140977 -14.47892323 -4.29433466 Fe 20.95789336 25.38825682 22.19043468 -11.77007993 21.66397999 2.68738362 Fe 24.19178619 24.17895518 21.29140871 -16.87277062 -18.19067784 -58.95220075 Fe 25.61455359 25.53253581 21.14904689 9.18525568 15.37074319 -12.10127761 Fe 25.28091226 24.30679497 22.46603997 47.99572624 -18.30849315 21.24267645 Fe 23.80598025 25.32157598 22.51361598 1.77479044 41.09383094 21.64204185 Fe 20.85198705 20.97567541 24.06329927 -24.80069943 -13.68604024 0.61036829 Fe 22.14088401 22.27846858 23.89536594 19.32356086 16.23337812 6.20478435 Fe 22.34126820 20.84140700 25.31668137 8.65320745 -10.77415290 9.12371746 Fe 20.91986395 22.24396547 25.59073906 -6.43264777 9.12574358 9.21302830 Fe 24.27219963 20.93381326 24.13132919 -16.41727503 -10.34921965 9.93648531 Fe 25.75978669 22.22592512 23.78504734 22.96737180 39.12529814 27.70008575 Fe 25.68159264 21.48475961 25.58343331 5.54845482 -3.89377327 10.40839949 Fe 23.80586595 22.43262793 25.59887856 -2.90141692 3.90860420 3.24413393 Fe 21.23171545 24.18190327 23.54087884 -19.65573855 -4.87193082 23.76533001 Fe 22.71219253 25.42485375 24.12990665 -9.33919639 20.28076816 -11.94651267 Fe 22.28220450 24.28278197 25.56210000 22.96939735 -49.87346281 9.89047073 Fe 21.13362859 25.32702941 25.57034430 -40.85853078 34.86275397 3.08050169 Fe 24.04852473 24.05473499 23.91561068 -8.81524134 -17.89346961 5.09837504 Fe 25.63661615 25.40480033 23.87802106 8.90161114 18.15890635 5.32008729 Fe 25.29869006 24.11041876 25.26735611 17.74721319 -11.93573256 14.77673680 Fe 23.83533445 25.24148635 25.58611608 11.38024970 16.89143754 17.14539510