32 Lattice="7.604067362056997 0.0 0.0 0.0 7.604067362056997 0.0 0.0 0.0 7.604067362056997" Properties=species:S:1:pos:R:3:forces:R:3 energy=-60.38076603636482 stress="-0.007308427299812195 -0.001446102635861619 0.00024279159799272108 -0.001446102635861619 -0.007605268413409462 -0.0010314408169080668 0.00024279159799272108 -0.0010314408169080668 -0.007080450066955649" free_energy=-60.38076603636482 pbc="F F F" Fe 0.00790946 0.02382268 0.03575586 -0.16108544 -0.06522434 -0.18484366 Fe 1.93650243 1.89350545 0.02609665 0.22280903 0.69533801 -0.40605819 Fe 1.87782639 0.00458521 1.89139558 0.76468370 -0.29279853 0.67520651 Fe 0.02664343 1.93604919 1.89298007 -0.45205025 0.22841806 0.51456428 Fe 3.81581627 0.03538707 0.01402628 -0.46023433 -0.32305901 -0.26694930 Fe 5.72099765 1.88774270 0.03276928 0.20178599 0.62877040 -0.23963693 Fe 5.69086980 0.01189935 1.86355075 0.19465358 -0.27548871 0.63989474 Fe 3.78201789 1.93774495 1.90482619 -0.31948435 0.29266409 0.59007548 Fe 0.00730972 3.80994952 0.01446836 -0.15057817 -0.48382453 -0.37114956 Fe 1.91022851 5.69383777 0.00491527 0.53698982 0.13256572 -0.14551062 Fe 1.86754405 3.80110533 1.93622352 1.05979234 -0.52004045 -0.03102767 Fe 0.02427103 5.68941481 1.86386235 -0.37605658 0.39325634 0.50260559 Fe 3.83141825 3.81100522 0.00866226 -0.62204666 -0.55583189 -0.14523273 Fe 5.67040504 5.69488005 0.02400682 0.19013768 0.16734761 -0.09875958 Fe 5.72993770 3.81468493 1.93832480 0.25135549 -0.61940411 0.36391963 Fe 3.82069966 5.67064264 1.93559336 -0.61517381 0.27527663 0.23076293 Fe 0.01907927 0.03728955 3.81126732 -0.26441947 -0.35212802 -0.57254852 Fe 1.91192510 1.91373027 3.78558018 0.62690198 0.30122320 -0.35527470 Fe 1.89735834 0.00853956 5.71303058 0.53153038 -0.21922196 0.13461818 Fe 0.02914595 1.87029349 5.66680545 -0.28715112 0.71036238 0.34153089 Fe 3.83021149 0.00340318 3.82733274 -0.81506834 -0.26756190 -0.71955072 Fe 5.67863131 1.86311970 3.80937937 0.39331242 0.72245886 -0.56380738 Fe 5.70403595 0.00989816 5.68895999 0.14599195 -0.13471172 0.25192134 Fe 3.80515056 1.90781110 5.71784824 -0.50963956 0.30844187 0.27692117 Fe 0.02444887 3.81590531 3.78477753 -0.47990876 -0.50188708 -0.10273707 Fe 1.91041595 5.66822252 3.76249931 0.42046036 0.46484881 -0.13123634 Fe 1.92400823 3.79161540 5.71083922 0.15608525 -0.45206361 0.19323055 Fe 0.02890798 5.71474463 5.68663908 0.02395561 0.01084466 0.01899974 Fe 3.78985701 3.76578213 3.79586301 -0.32629201 -0.34386007 -0.39662789 Fe 5.67861511 5.70990241 3.82180630 0.21511933 0.15833379 -0.24402144 Fe 5.68751674 3.79144729 5.71139031 0.19276738 -0.32670751 0.07589949 Fe 3.77146649 5.67650186 5.69546891 -0.28914344 0.24366299 0.16482179