108 Lattice="10.697519010931906 0.0 0.0 0.0 10.697519010931906 0.0 0.0 0.0 10.697519010931906" Properties=species:S:1:pos:R:3:forces:R:3 energy=-357.7480997271165 stress="-0.004867420151687334 -8.36546102214376e-05 -0.000479158062371927 -8.36546102214376e-05 -0.005110213946050043 -9.947255218349244e-05 -0.000479158062371927 -9.947255218349244e-05 -0.00495399997012894" free_energy=-357.7480997271165 pbc="F F F" Fe 0.01637573 0.01806932 0.01635666 0.45184506 0.47523591 0.35823972 Fe 1.83063772 1.78611842 0.00414657 -0.17638569 0.16060629 -0.62485452 Fe 1.73535495 0.00925564 1.75202633 0.22021386 -0.65124263 0.16020247 Fe 0.03197291 1.75175792 1.75365499 -0.69135497 0.16162255 0.17486883 Fe 3.55943417 0.05833869 0.00368172 0.04994105 -0.22723824 -0.05263883 Fe 5.34682155 1.79719406 0.02727728 0.10167206 -0.05113190 -0.57432296 Fe 5.32958751 0.01174563 1.80784515 0.17329218 -0.58373195 -0.03864806 Fe 3.56760293 1.75200885 1.77358129 -0.10109827 0.45789851 0.30660259 Fe 7.12288497 0.00426972 0.00414805 -0.13866613 0.17347203 0.17105256 Fe 8.93105349 1.75161917 0.01364823 -0.16775195 0.21659253 0.12349237 Fe 8.91524954 0.00849422 1.75245922 -0.08777640 0.00254070 0.13324314 Fe 7.16720978 1.76899514 1.77178415 -0.29956421 0.12382964 0.04888133 Fe 0.02764093 3.56156047 0.02892128 -0.07424349 -0.12231815 -0.06523349 Fe 1.75643793 5.32397729 0.00900735 0.33746014 0.23996741 -0.34501961 Fe 1.75504634 3.54592514 1.79273199 0.39921104 0.05124386 0.07942564 Fe 0.00069088 5.34002544 1.77822820 -0.49636839 0.15067524 0.19129378 Fe 3.59991348 3.58263390 0.02520373 -0.28231778 -0.03256814 -0.51899757 Fe 5.36309461 5.34524173 0.01095828 0.04338503 0.15604922 -0.50534265 Fe 5.34611718 3.56867729 1.74862347 0.04542937 -0.12615190 0.68354624 Fe 3.57758603 5.33588788 1.80809096 -0.20163277 0.09648318 0.15879332 Fe 7.12109779 3.53573937 0.01074430 0.08958770 0.05940045 -0.52896064 Fe 8.89857724 5.36361736 0.03094528 -0.17851689 0.09152017 0.12682760 Fe 8.89799255 3.58885729 1.80220040 0.61696352 -0.18955853 -0.14936194 Fe 7.11791039 5.32045548 1.79933215 -0.10900843 0.41442706 0.04423714 Fe 0.02099285 7.16733165 0.02652789 0.06281629 -0.25355444 0.08901469 Fe 1.79669038 8.86926266 0.00203923 0.11459217 0.04933296 0.05803177 Fe 1.76898881 7.16240361 1.81344350 0.14785076 -0.25880884 -0.04168305 Fe 0.01381539 8.93246496 1.74801924 0.16136009 -0.12582434 0.25481408 Fe 3.57753826 7.15984354 0.02324418 -0.04054700 -0.29345829 -0.41588534 Fe 5.38365278 8.93789880 0.01532593 -0.09483383 -0.10917495 0.15269950 Fe 5.31697473 7.11569661 1.80029724 0.11169513 -0.07891523 0.21104874 Fe 3.55679211 8.93523313 1.79772091 0.07429525 0.41778703 0.14862853 Fe 7.10587209 7.16523442 0.01020211 0.15015659 -0.12519138 -0.39515005 Fe 8.92865180 8.88347041 0.00032589 -0.65646898 -0.61594082 0.63681771 Fe 8.90810269 7.15733104 1.81502900 0.35512069 -0.11071659 -0.08991632 Fe 7.11083922 8.88421580 1.80915690 0.13768871 0.55079799 -0.05077607 Fe 0.01013260 0.00762085 3.58988198 0.09191404 0.12061347 -0.05514475 Fe 1.79328980 1.78403895 3.56044550 0.05145587 0.13917008 0.05919523 Fe 1.79866906 0.01806370 5.33455846 -0.07584646 -0.54380530 0.16005734 Fe 0.00106080 1.81574242 5.34336155 -0.41806865 -0.12080815 0.12914191 Fe 3.52441441 0.01956091 3.54824231 0.12716373 -0.51983051 0.07555592 Fe 5.35538699 1.77103156 3.53978631 -0.03248048 0.43889182 0.10101122 Fe 5.36045765 0.03026300 5.35750556 0.00770416 -0.57999825 -0.16820324 Fe 3.54735641 1.77641515 5.38320468 0.10115421 0.54219600 -0.23629025 Fe 7.14052814 0.00803598 3.54722467 -0.07042720 -0.51743340 0.07765288 Fe 8.90301807 1.76219895 3.53045178 0.51145704 0.19915314 0.20635344 Fe 8.93825220 0.02146775 5.36214626 -0.20582553 0.16583531 0.02398232 Fe 7.11735826 1.76814969 5.36665588 0.21733341 0.21895042 -0.19699472 Fe 0.03551420 3.55236313 3.59382524 -0.60555716 0.03434546 -0.18867587 Fe 1.76242391 5.34947992 3.54665459 0.35578839 0.05802951 0.12912464 Fe 1.76033593 3.60097913 5.37965436 0.61996161 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3.57906517 1.76736466 8.94739034 -0.06971521 0.18781417 0.23913695 Fe 7.16215279 0.01079698 7.16976375 -0.10140490 -0.54637745 -0.07376730 Fe 8.92760237 1.78557464 7.16086429 0.51712365 -0.06562884 -0.13267234 Fe 8.89261006 0.00318626 8.91829051 -0.51025178 0.58253001 -0.50998750 Fe 7.12681329 1.81320472 8.88122788 -0.00300673 -0.14068774 0.67125764 Fe 0.01848313 3.55057873 7.14182858 -0.61872916 0.02878490 -0.07260642 Fe 1.78024857 5.33654012 7.11216686 0.11391096 0.18681460 0.21298835 Fe 1.75795051 3.54881307 8.90880435 0.28778509 0.03054010 0.44681298 Fe 0.00153903 5.34150479 8.92189250 0.18476702 0.09978291 -0.20706162 Fe 3.58768973 3.59684928 7.14704293 -0.04935311 -0.26647917 -0.37657194 Fe 5.37851880 5.37605513 7.13129931 -0.10656930 -0.30388166 -0.48277278 Fe 5.34416164 3.55824812 8.91445850 0.09922794 -0.00958629 0.39413889 Fe 3.58092411 5.31978223 8.91784707 -0.12101034 0.11808546 0.46437072 Fe 7.14714925 3.55630381 7.12728959 -0.18836946 0.18742552 -0.11606699 Fe 8.91261129 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8.94567600 -0.03909666 -0.41455150 -0.41346418