108 Lattice="10.749462045451176 0.0 0.0 0.0 10.749462045451176 0.0 0.0 0.0 10.749462045451176" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1409.2586873431562 stress="-0.007108911214008899 -0.0006472544567130463 0.000716705313780762 -0.0006472544567130463 -0.006743910159671278 0.0004402781441110628 0.000716705313780762 0.0004402781441110628 -0.006463781848752522" free_energy=-1409.2586873431562 pbc="F F F" Fe 0.03095085 0.00336972 0.01028550 0.53398464 0.52326928 0.56451681 Fe 1.77834133 1.78799617 0.03264913 -0.33896508 -0.31899357 -0.40069729 Fe 1.80950892 0.02965062 1.81693069 -0.23217865 -0.46172247 -0.50186886 Fe 0.03275922 1.76614471 1.80496890 -0.37920656 -0.15949102 -0.35789287 Fe 3.61820915 0.02913547 0.00746084 -0.18128201 0.18128481 0.11570312 Fe 5.38749538 1.78948687 0.02131005 -0.12378418 -0.11447312 -0.32186775 Fe 5.36016071 0.02285428 1.75075158 0.06764950 -0.25572458 0.07154136 Fe 3.55586729 1.81924315 1.75884358 0.36880003 -0.37009142 0.14439118 Fe 7.14336871 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3.57342331 1.80660368 8.94983448 0.11948353 -0.36265085 0.18482658 Fe 7.16922531 0.03381106 7.17398144 0.22878913 -0.29191237 0.13846368 Fe 8.92577266 1.76016984 7.13178240 0.37573550 -0.13879813 0.47990403 Fe 8.94335608 0.00630071 8.97000450 -0.55832705 0.58324418 -0.58988484 Fe 7.19561846 1.78780936 8.95392947 0.14495454 -0.19446508 0.18587621 Fe 0.03260397 3.58555971 7.15357819 -0.37432633 -0.08291579 0.33971246 Fe 1.77051560 5.36780746 7.17949003 0.01419877 0.10677893 0.05023897 Fe 1.81273866 3.56162262 8.97091136 -0.25430445 0.11667083 0.14762384 Fe 0.03302668 5.33769130 8.93904981 0.17203180 0.07384407 -0.13565084 Fe 3.56018120 3.56513793 7.13764500 0.21061959 0.20138788 0.32542835 Fe 5.38570735 5.39599967 7.14149082 -0.25009335 -0.15827827 0.44232627 Fe 5.38005663 3.61670479 8.93159147 -0.09591600 -0.11943162 0.10499306 Fe 3.55052381 5.40832470 8.96912978 0.20777088 -0.18669517 0.10400138 Fe 7.16925638 3.55142531 7.14277680 0.13549105 0.15595773 0.61972568 Fe 8.93289340 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