64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=67.85076219383693 stress="-0.001700615526838128 -0.00017482846534186172 -0.0006220883822237164 -0.00017482846534186172 -0.0015028057137824703 -1.4148926078155625e-05 -0.0006220883822237164 -1.4148926078155625e-05 -0.0012953022228448813" pbc="F F F" Fe 35.22086729 34.98310996 34.77096654 -1.34057605 -0.71219374 -1.46226608 Fe 36.59933616 35.93572417 35.98055861 -13.51638735 -34.72869197 22.57400400 Fe 37.14715992 37.22516294 35.23402360 -1.54124412 13.26135832 -40.83232265 Fe 37.93229823 38.31172061 36.19084223 12.86440373 21.74014358 16.68218574 Fe 36.90181109 35.14771729 38.20399864 0.56251815 0.82887362 0.60128807 Fe 39.35802973 36.07349581 38.45018589 -0.36334980 -0.75209123 -0.51150994 Fe 34.76884260 38.20444678 38.02575960 0.02867419 0.39490595 -0.79469609 Fe 36.55604684 39.07636534 38.99475015 -33.79887511 104.12121279 -73.10528014 Fe 40.23975440 35.55577733 35.25284888 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17.04380989 11.97887561 Fe 35.64061762 42.55244599 37.63905551 0.12108024 -3.14572549 -3.55228405 Fe 36.15510351 43.81252997 39.11824152 -0.05627978 4.61114300 3.12076973 Fe 40.31463283 40.76250514 35.06533237 -4.54586165 -0.00781772 -4.33961409 Fe 41.60365422 41.12475624 36.46651109 -11.57517417 20.92562658 -9.91526365 Fe 41.78042048 43.31103882 34.75724372 -0.12183027 -1.60385361 2.50898855 Fe 43.52629705 43.46239944 36.79309461 -2.36890994 -2.00072848 0.36464068 Fe 42.58087455 40.09122498 37.35935114 7.42691588 -12.87786268 19.97029733 Fe 43.73510397 41.07781524 38.65337001 2.90199935 3.00979306 2.29283672 Fe 39.66448343 42.68403127 37.11226018 67.14775840 -41.22690575 43.10127871 Fe 40.97555741 43.06281160 38.89352680 -25.34617116 8.35020999 -14.61409567 Fe 35.08650936 34.99270265 39.79859771 -71.90489858 -62.58021857 -45.48983763 Fe 36.02951638 35.81350238 40.39348859 72.34658876 62.62694580 46.09854389 Fe 37.00297454 37.99791377 39.62151619 46.71878267 -111.43881588 63.38083772 Fe 38.75210362 38.44613179 41.76132422 -2.31801411 -5.90290063 9.17772790 Fe 37.31797163 35.38405289 42.79856259 1.47678351 0.69315678 -0.80033106 Fe 39.40149214 35.75571598 43.91604801 -4.73821119 -5.19157648 2.93568838 Fe 35.17791434 38.19062491 42.68387240 -36.63344112 -25.78534712 -31.10204606 Fe 36.22422232 38.91950201 43.54655608 16.28828041 6.70815953 42.73972395 Fe 39.62244943 35.22757881 40.50692713 -0.93950380 -0.01541995 1.58651338 Fe 41.48837336 36.00831489 41.43404765 -33.27366745 47.90334035 -26.06130536 Fe 42.84911873 36.81500577 40.22971067 -3.44787211 3.20074725 3.82284513 Fe 43.71562119 38.49425818 41.03735392 4.13325355 -2.06561616 -2.12975169 Fe 42.20384740 34.85081933 42.03810700 32.47849861 -51.93976050 28.12324719 Fe 43.65919048 36.11178622 43.88925171 -1.30219168 -0.43758202 -1.44163899 Fe 40.41452828 37.00336033 42.84575081 1.43930428 7.28767091 -0.82462583 Fe 40.85429854 39.16374031 43.74908259 -0.05394844 1.87365678 -1.37177748 Fe 35.28526443 39.62769123 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