32 Lattice="49.48123947595923 0.0 0.0 0.0 49.48123947595923 0.0 0.0 0.0 49.48123947595923" Properties=species:S:1:pos:R:3:forces:R:3 energy=-109.43432925517439 stress="-0.00011088220842676054 2.245925362446895e-05 -7.657848589372247e-05 2.245925362446895e-05 -5.983821375700248e-05 6.69898194324771e-05 -7.657848589372247e-05 6.69898194324771e-05 -0.00017713272856431376" free_energy=-109.43432925517439 pbc="F F F" C 24.80034237 24.67885942 24.50081366 0.85543073 0.75511503 2.09593684 C 26.65263718 26.42789901 24.79377965 -3.61740925 1.80050350 -0.15128109 Ti 26.64940938 24.76829431 26.45828357 -2.52307596 -3.72459045 -3.76377382 Ti 24.90762528 26.37621249 26.53699125 -2.18960106 0.94949679 -2.12954052 C 28.41650063 24.71084986 24.82324511 -0.21562606 -1.69551801 -0.47026154 C 30.16734397 26.61906186 24.86244389 1.20505921 1.23512706 0.66312462 C 30.07531504 24.58955394 26.53539277 -0.21597385 -0.30053704 1.73376560 C 28.11920657 26.37840708 26.47505720 1.63696628 2.50552298 3.52233439 Ti 24.61024465 28.47463376 24.51193118 -0.03486648 -3.36498604 -1.93170440 Fe 26.43262311 29.95100864 24.83102624 3.85288704 0.08918392 -1.09988851 Fe 26.68819755 28.10491073 26.64335193 -0.49943227 1.47836616 -5.94333180 Ti 24.70624297 29.91074607 26.28628258 -1.26779290 1.19370768 3.64634149 C 28.28554197 28.42640071 24.85819844 -0.40345033 4.05942757 0.71071351 Fe 30.07417864 30.00364825 24.51012230 -1.71801371 -1.26863857 0.91512947 Ti 30.01460054 28.15258257 26.61983650 0.86403407 0.90065045 -4.74561770 Ti 28.33097547 29.99322311 26.69509919 0.15598903 1.05837152 -1.15304067 C 24.55668640 24.97015424 28.04365572 1.63918278 0.67305112 0.31041398 Ti 26.74238114 26.55122354 28.24886483 -4.88374366 -3.13710440 5.78011186 Fe 26.85133463 24.74675956 30.04639429 -0.01960731 1.52589663 2.29264620 Fe 24.52057657 26.46004279 30.11178421 0.99790319 -0.53689758 -1.73289313 Ti 28.14479588 24.54745776 28.23502511 3.71622240 -1.78629307 -3.20710938 Fe 30.25977400 26.69307866 28.25771905 1.62648485 -4.47856026 0.06724198 Ti 29.78128844 24.77265386 29.89325297 0.16919689 0.57714907 1.64822049 C 28.39046097 26.50751904 30.27401494 -0.20837479 1.31198167 -1.52967753 Fe 24.64994381 28.42183736 28.38512217 -0.44987411 -1.64617193 -0.76372739 Fe 26.26643201 29.95693478 28.28228338 1.56806011 1.58614292 -0.66106341 Fe 26.58746763 28.50566637 29.98406027 0.03351548 0.31532584 1.91564322 Fe 24.62543459 30.11303947 29.91647763 -0.18611943 0.17005113 0.73746158 Ti 28.25881379 28.08321184 28.38529744 0.60711514 3.77003720 -0.07972259 C 29.97844880 30.05567473 28.16567104 -0.81118613 -2.31919790 -0.86968703 Fe 29.82403683 28.05328602 29.80590733 1.55718816 1.22977606 4.95547050 C 28.33743728 30.15192316 30.19758882 -1.24108811 -2.92638908 -0.76223522