32 Lattice="7.456900998971324 0.0 0.0 0.0 7.456900998971324 0.0 0.0 0.0 7.456900998971324" Properties=species:S:1:pos:R:3:forces:R:3 energy=-166.62452277513333 stress="-0.033001329762314895 -0.01734579413486527 0.004343094192504138 -0.01734579413486527 -0.030692915929247996 0.0023387339044876523 0.004343094192504138 0.0023387339044876523 -0.02911198084141614" free_energy=-166.62452277513333 pbc="F F F" Fe 0.01217588 0.01032411 0.00250769 0.33000076 0.67124411 1.02599433 W 1.88588895 1.83581232 0.00166332 -0.07417088 -0.08667565 -1.24205490 W 1.91699032 0.03596771 1.87700790 -0.26740100 -2.10173143 -0.76268053 Fe 0.02566253 1.89157137 1.88720784 -0.32555834 0.30891700 -0.93121678 Fe 3.75712054 0.02480288 0.01862741 0.12501435 0.14021184 0.24478651 W 5.61242981 1.80962309 0.01585178 -0.32151447 0.95831962 0.66498072 Fe 5.56778495 0.01646538 1.85602832 -0.96550431 0.14425706 0.41950752 Fe 3.73906347 1.83288451 1.88254175 0.75839853 0.79785607 -0.13243426 W 0.00778236 3.75120586 0.00778841 -1.00177170 -1.76674285 -1.10864308 W 1.88524078 5.60536162 0.02385773 1.16991605 1.55960940 -1.48630461 W 1.87648527 3.74219827 1.83734806 0.79154134 -2.35604059 2.00295549 W 0.03681866 5.57511057 1.84098416 -2.30509014 2.04381705 1.13537540 W 3.71322899 3.70949002 0.00581873 1.62029893 -0.37970739 -0.97998677 Fe 5.55709123 5.55561511 0.01680954 -0.64084844 -0.51264921 0.86325949 Fe 5.58483771 3.75212722 1.83036398 -0.46180321 0.14327579 0.23981001 Fe 3.72045582 5.55651566 1.85378147 0.45511551 0.68095053 0.71836830 W 0.02802158 0.02954231 3.69178319 -1.41117578 -0.66332687 0.85865938 W 1.83610783 1.85145772 3.75848624 3.08210504 0.69611410 -1.07471243 Fe 1.87656925 0.02728241 5.58426535 -0.09358922 0.23989708 -0.30675213 Fe 0.05589029 1.89707229 5.56914280 -0.73104430 -0.88908171 0.91701985 Fe 3.72735913 0.02549815 3.69981607 0.55768756 0.40015652 0.68016465 Fe 5.58145307 1.89278654 3.70608614 -0.41834680 -0.01107865 -0.24397976 Fe 5.58126303 0.02952915 5.58429491 -0.65068650 0.64483598 -0.63365333 Fe 3.71375085 1.82859654 5.57930157 0.31985623 0.20776210 -0.04834528 W 0.02485537 3.73344161 3.76399653 -3.13332517 -1.24487666 -1.57676189 W 1.83401272 5.59532594 3.75248252 1.35664429 2.90296103 -1.66996147 W 1.87946376 3.76133504 5.58586778 0.57552359 -1.96385651 3.31603564 Fe 0.01410578 5.53056840 5.57956175 -0.23265980 0.83423528 0.44463408 W 3.73066822 3.74707155 3.73941118 1.20638441 -2.28178696 -1.37470010 W 5.57298492 5.61239131 3.75760484 0.84111224 -0.33155771 -1.66071824 Fe 5.60962979 3.68914053 5.57662605 -0.92653777 0.41977395 -0.36619470 W 3.71463474 5.62696605 5.56279655 0.77142900 0.79491766 2.06754886