64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-48.313288705244595 stress="-0.0004201200201328279 -0.00014096461471899656 -0.00018188741800559288 -0.00014096461471899656 -0.0004872316650637243 2.9729736267626615e-05 -0.00018188741800559288 2.9729736267626615e-05 -0.0004318164062247974" pbc="F F F" Fe 35.22086729 34.98310996 34.77096654 -1.66650335 -1.10433618 -1.74463775 Fe 36.59933616 35.93572417 35.98055861 -5.67813611 -5.77185549 3.46915415 Fe 37.14715992 37.22516294 35.23402360 2.00718880 5.34350784 -9.73914282 Fe 37.93229823 38.78131475 35.96390753 2.92070924 4.65933405 -0.07292231 Fe 37.29465675 34.93158033 37.36806237 1.21509675 -4.29772934 5.15193763 Fe 38.85840215 35.76443239 38.75277156 -1.89326718 3.93493161 -5.91846332 Fe 34.86284729 38.23762686 38.30936719 -4.02797342 -3.08478094 -1.03625978 Fe 36.55604684 39.07636534 38.99475015 -4.48693609 20.63691834 -7.69431554 Fe 40.75838683 35.21811959 34.87884026 -0.40231740 -0.26040653 -1.17333986 Fe 41.93310106 36.45280549 36.29543484 -2.34547483 -1.63552440 7.60365765 Fe 42.56413860 37.42957765 34.86420263 -2.73979860 -0.36298854 -10.82397117 Fe 43.67982227 38.56376137 35.86736005 4.16894678 4.23206761 4.49187629 Fe 42.81964364 35.29825864 37.98568119 -5.27866174 -7.64548676 -1.82158321 Fe 43.94092265 36.56623313 38.60782559 14.71743349 1.61969959 -5.56285773 Fe 39.63485376 37.48528157 37.44339995 -2.57577492 -0.08956953 -3.86101155 Fe 40.92663375 38.45262663 38.77269330 1.85952953 2.32242469 1.74254168 Fe 34.75331176 39.95945902 35.10549878 0.34536589 -0.11981348 -0.45903384 Fe 36.14575737 41.37692186 36.24085714 -3.62486021 -5.07155915 6.97160454 Fe 37.20667517 42.00343944 34.97929580 5.76314467 2.97069588 -6.97141380 Fe 38.61643991 43.32327578 36.40123177 -16.06840505 9.02855210 -10.37180145 Fe 37.95366604 39.88968876 37.71888199 -6.33460679 -3.30244294 -3.81134183 Fe 39.18297782 40.79320854 38.39174556 10.58659008 7.01005221 3.93510239 Fe 35.30609528 42.83814538 37.63905551 -3.46047689 -3.41424761 -5.96308202 Fe 35.90975672 43.66349090 39.11824152 3.78329652 5.70724817 7.31079034 Fe 40.33637782 39.80684409 35.14031394 -0.60976880 -1.76245756 0.40977380 Fe 41.60365422 41.12475624 36.46651109 -6.55765013 8.70459124 -4.76854398 Fe 41.88430911 43.32139253 35.45702886 -0.88591670 -0.00003666 0.63869903 Fe 43.88885915 43.95496023 36.62908149 -0.10904100 -0.68450290 0.33942299 Fe 42.58087455 40.09122498 37.35935114 2.07778510 -11.37778290 3.83182012 Fe 43.96174114 41.09133389 38.30677838 3.33437259 4.18660071 2.42569920 Fe 39.66448343 42.68403127 37.11226018 15.64855927 -9.87591028 9.17628961 Fe 40.97555741 43.31914392 38.89352680 -11.44086910 2.86610856 -5.01458032 Fe 35.01722653 35.44536394 39.53882749 -7.91332439 -3.54555559 -8.27288515 Fe 36.22627882 36.09305905 40.53656773 9.02963110 4.71335908 7.20949239 Fe 37.00297454 37.99791377 39.62151619 8.90185087 -19.18440227 10.41787639 Fe 38.55150311 38.51894432 41.34725891 -4.43157842 -5.96432704 5.20410354 Fe 37.07742728 34.94599511 42.36669775 1.06975770 -0.29052001 0.04910223 Fe 39.08450338 35.75571598 43.58475277 -4.99459152 -6.77387678 3.07464208 Fe 34.99655912 37.96978731 42.51668654 -4.26358317 -3.93720597 -5.45182128 Fe 36.22422232 38.91950201 43.54655608 -3.23190259 -4.09854899 9.46245170 Fe 39.22245821 35.07431287 40.41040162 1.26107383 -2.43279964 10.29931052 Fe 41.48837336 36.00831489 41.43404765 -7.60911169 14.17789384 -8.91941874 Fe 42.84911873 37.25854751 39.62220405 -11.08375139 2.44485700 5.55462173 Fe 43.60556472 38.49425818 41.03735392 1.27603848 2.15497162 2.76606038 Fe 42.20384740 34.85081933 42.03810700 8.67843729 -14.17180408 7.99835825 Fe 43.96886772 35.51547254 43.61102416 -0.74175549 -0.01573749 -0.65482732 Fe 40.09980901 37.00409575 42.77385137 2.68236553 4.54075659 -4.81444192 Fe 41.02929889 38.73073442 43.61190311 0.91829650 3.21781613 0.44376146 Fe 34.83286624 40.17461374 39.93189492 -1.99447439 -2.00210534 0.10201498 Fe 35.90837638 41.94808722 40.57623509 -1.10622856 0.60461995 2.29446365 Fe 37.82350393 42.21827495 39.80335328 -1.48668314 -7.67642091 -9.54414513 Fe 38.63834321 43.28337470 40.87827378 4.91448140 6.70679307 7.05181256 Fe 37.36102597 39.94186987 42.87644269 8.03495410 8.45511322 -5.81698197 Fe 39.48520003 40.94261456 43.71349282 0.38949823 -1.17082779 0.95860409 Fe 35.08868894 42.32569862 42.68498809 -9.95752983 -9.63072679 -1.04615506 Fe 36.28631059 43.44914658 42.92921857 10.50179410 8.84183236 0.79800955 Fe 39.50562262 39.74812168 40.36805486 1.83307935 4.11975023 -4.07280187 Fe 40.89974943 41.22892384 41.12165250 -0.15211577 -5.62265942 -19.12435683 Fe 42.34497277 42.80178516 39.71375535 11.18310942 -4.74450654 7.78135888 Fe 43.72578504 43.90306885 41.79339087 -0.73323771 -1.55515433 0.41199002 Fe 42.26356353 40.45080218 41.95012370 7.67326481 -4.28233770 5.42085400 Fe 43.77266207 41.63037258 43.92958140 -1.07682928 1.00370328 -1.77931649 Fe 40.39757659 42.11536967 42.13716159 -5.95875766 14.08103788 11.88566105 Fe 41.00429392 43.61324906 43.98419638 0.14624190 -1.32428896 -0.37746483