32 Lattice="7.080894916700729 0.0 0.0 0.0 7.080894916700729 0.0 0.0 0.0 7.080894916700729" Properties=species:S:1:pos:R:3:forces:R:3 energy=-98.00751037840362 stress="-0.009568419335423631 0.0002941516242902885 0.001566107770701044 0.0002941516242902885 -0.009426286020910238 0.0004217086912917799 0.001566107770701044 0.0004217086912917799 -0.007996830401990689" free_energy=-98.00751037840362 pbc="F F F" Fe 0.01035619 0.02102637 0.01980428 0.14190353 0.04136027 0.15190786 Fe 1.74739097 1.74213204 0.01421499 0.31176172 -0.01860494 -0.52951933 Fe 1.77895992 0.01711266 1.80918405 -0.04692798 -0.45656534 -0.34026662 Fe 0.00712657 1.75526347 1.73506982 -0.46011892 0.10934521 0.32992590 Fe 3.56529590 0.01884177 0.02413579 -0.12523286 -0.01258585 0.18236725 Fe 5.26398174 1.78197625 0.01552659 0.08095476 0.01252402 0.07205712 Fe 5.33382101 0.01003289 1.80358076 -0.10636082 0.02587278 -0.16049616 Fe 3.50938435 1.80628715 1.79915823 0.13460008 -0.33365160 -0.22100831 Fe 0.01560022 3.50882620 0.02027507 -0.03973191 0.10512379 -0.15895713 Fe 1.74273385 5.33872457 0.05023596 0.16068271 -0.02980337 -0.12477474 Fe 1.78989020 3.52503480 1.74823166 -0.13501877 0.21582504 0.28956694 Fe 0.03058404 5.27589550 1.76454430 -0.18344914 0.11236971 0.10147224 Fe 3.52090306 3.55286993 0.02356741 0.14505425 0.17279988 -0.46256756 Fe 5.33120755 5.32193241 0.02800545 -0.28135609 -0.38814501 0.33358713 Fe 5.30713592 3.51239386 1.80137068 0.35766315 0.23087634 -0.30771711 Fe 3.56409623 5.33063447 1.77371507 -0.11387024 0.25428330 -0.05185951 Fe 0.04184120 0.03017724 3.54011564 -0.26917192 -0.12071044 -0.02437808 Fe 1.73972134 1.78897550 3.55859708 0.23439147 0.18527931 0.03104383 Fe 1.74793506 0.04043352 5.30109486 0.24090498 -0.17186501 0.09625320 Fe 0.01021325 1.75993088 5.33825991 -0.04736773 0.28446862 -0.02509653 Fe 3.52267425 0.01986861 3.51615171 -0.02361386 -0.49676110 0.18529464 Fe 5.28448916 1.73955668 3.51213179 0.50004175 0.28571389 0.31517849 Fe 5.27725323 0.02217956 5.27973735 -0.07509973 0.02921409 -0.18476208 Fe 3.56324524 1.74974342 5.30788166 -0.15148738 0.22607140 0.29789678 Fe 0.03208880 3.55910888 3.53545218 -0.41893466 -0.15471997 0.14340546 Fe 1.76011234 5.32414187 3.56065845 0.18093244 0.36358076 -0.15668902 Fe 1.80032611 3.57532686 5.32880002 -0.15953661 -0.26001897 0.37952828 Fe 0.03085949 5.30825647 5.31735853 0.15052660 -0.19523019 -0.16056745 Fe 3.53436112 3.55753425 3.55187320 -0.05077862 -0.07955379 0.09037520 Fe 5.29794464 5.27796217 3.52836833 0.10216192 0.12553035 0.09804729 Fe 5.30519638 3.55833062 5.33198956 -0.06655256 -0.18404594 -0.14836392 Fe 3.54890674 5.30793824 5.32701811 0.01303047 0.12202277 -0.04088405