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=-50.26657317567737 stress="-0.0006067912709238155 -0.00012062231755990403 -0.0003108535039266939 -0.00012062231755990403 -0.000704878507301266 -6.26191937436917e-05 -0.0003108535039266939 -6.26191937436917e-05 -0.0006151827674078756" free_energy=-50.26657317567737 pbc="F F F" Fe 35.34878840 34.95660338 34.93283763 -0.27891397 0.06450078 -0.61363785 Fe 36.58210422 36.10563063 36.28035637 1.07229665 0.07457725 2.11350241 Fe 36.91167441 37.82397171 34.89190353 -0.14333519 1.43034419 0.05582936 Fe 39.04899478 38.05648721 36.26997522 0.22317209 -1.86248308 0.54666889 Fe 37.78743385 34.87492915 38.34985726 -8.79797928 -6.07206729 -5.37198237 Fe 38.99054435 35.85039153 39.16416238 -11.46368354 35.05388632 -13.55993441 Fe 35.44414448 37.82541511 37.83129524 -10.11989059 -13.24423590 -7.28772016 Fe 36.43135523 38.97083760 38.47709952 -4.62686985 13.55361589 13.13732556 Fe 40.38834485 34.89640403 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38.41068129 41.60760404 -11.52983831 7.10402221 -13.92526781 Fe 37.96522721 34.75439459 42.80820902 -9.96001432 -26.61919606 -11.49385528 Fe 38.46963622 36.05539633 43.35320685 9.27191113 26.35985395 10.98615999 Fe 35.24830254 37.20616025 42.20491841 -17.54538478 26.41071986 11.64272438 Fe 36.60695380 38.75027379 43.88243945 -0.14807281 -1.15447434 -0.26478680 Fe 39.73334514 34.83168652 39.86354409 18.32215023 -30.32440220 17.66848033 Fe 40.75203356 36.37799180 40.77905723 -9.03588392 11.47104448 -9.11081105 Fe 42.29320644 37.56897523 39.95680908 1.88858309 -3.61935782 6.92645271 Fe 43.69751650 39.05014394 40.83130890 0.34465369 0.72145149 -0.54075316 Fe 41.57182595 35.41126205 41.85324984 8.00694794 -9.27135671 11.13445540 Fe 43.26588321 36.77475852 43.43355059 -0.88968639 0.73532962 -0.84545133 Fe 39.86230136 37.75156541 42.74673192 9.60654302 -8.53469292 11.80544028 Fe 41.25592470 38.66807606 43.88286677 2.79172412 1.60289005 1.30801450 Fe 35.50933681 40.41078432 40.51324172 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39.63867155 42.16910524 42.11297353 3.83824860 -1.87574824 -5.61174003 Fe 41.17495662 43.49584391 43.33472284 0.18487231 -0.57470713 -0.30071384