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=48.44981307256916 stress="-0.0016569810863733382 -9.209712467693568e-05 0.000160118075544967 -9.209712467693568e-05 -0.0013710675970302162 0.00030388803723958597 0.000160118075544967 0.00030388803723958597 -0.0012239509663868236" free_energy=48.44981307256916 pbc="F F F" Fe 35.11370303 35.12344815 34.72365779 0.28425005 0.39090929 0.20408800 Fe 35.89956216 36.69475194 36.26619231 10.26921370 -1.84563186 -26.02336437 Fe 37.14503217 37.83473181 34.76124646 0.37179384 0.52374124 0.24810315 Fe 38.90199409 38.41068129 36.60760404 -15.87024386 10.47357058 -18.41269408 Fe 37.96522721 34.75439459 37.80820902 -18.01625212 -44.97047113 -19.45371944 Fe 38.46963622 36.05539633 38.35320685 15.12985518 46.24375184 17.83011212 Fe 35.34049996 36.78030007 37.77381777 -9.25743297 0.94228886 27.21526907 Fe 36.32550802 38.67010011 38.95988817 -33.76255166 25.57919287 -25.57386173 Fe 40.11271949 34.79914561 35.07815043 0.07161381 0.64826861 0.81086532 Fe 40.71859452 36.85332053 36.29623285 1.13941869 -4.87209438 -2.18180055 Fe 41.94094592 38.03491934 35.16328525 1.42939453 1.86380840 -0.02891646 Fe 44.08514064 38.93539198 36.24702564 12.82066502 -8.81726102 -18.60128887 Fe 42.37503051 35.11581873 37.69426734 -5.31772232 -10.95996227 -1.19483698 Fe 43.05649595 36.72950443 37.84358767 4.38044058 11.72757152 0.16374326 Fe 39.86230136 37.75156541 37.74673192 11.09346646 -11.21313583 19.85372353 Fe 40.85694090 38.99211558 38.81343399 -11.89096120 -6.67251111 -60.25524099 Fe 35.21313756 40.63040095 35.08383127 -4.08082121 -2.33939031 -2.14193117 Fe 36.66135286 41.43725213 35.93924908 1.21745068 -1.57626062 4.59996872 Fe 37.24501807 42.89550630 35.00366712 1.50234855 6.07627928 -5.02325493 Fe 38.17330398 43.07619085 37.01424934 -7.42198739 3.11994887 -1.44332906 Fe 37.31254206 40.11218821 37.21399245 0.46612559 -2.77443505 1.35724451 Fe 38.37647494 41.26310721 38.79413474 1.19475937 -4.26161996 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39.20906900 38.33604388 41.71914856 -17.91362972 24.93069250 -17.66894396 Fe 37.71775979 35.18579345 42.62626614 -1.17863936 -1.04782079 -0.61735359 Fe 39.20958699 36.72873326 42.87586133 -244.54474914 -144.28433773 114.56784165 Fe 35.52888574 37.63920620 41.98127866 -25.53505744 46.15969645 23.73106049 Fe 35.46812193 39.04491816 44.12761941 0.57799016 0.22799352 -1.52949581 Fe 40.16512901 35.02557949 39.10024986 2.16850661 -0.09840622 0.79971837 Fe 41.50271570 36.10162587 41.84533248 -15.83694685 32.24442139 -25.15318953 Fe 42.12197254 38.35741133 39.25302009 46.56440344 -25.27766607 16.75515117 Fe 43.75013549 38.80396211 40.43616363 2.07127551 0.35972535 -0.27772328 Fe 42.15644290 34.95023886 42.59410294 19.66006511 -34.81240045 22.88542568 Fe 43.90105492 36.43082220 43.36792125 -0.68048039 0.14031274 -0.44131769 Fe 40.10374949 37.24859303 42.46763961 259.63944686 123.57160526 -95.45226036 Fe 41.04773631 39.43481515 43.28285391 -2.39160997 0.57122519 0.83528210 Fe 34.94866423 39.57816784 39.92977029 -11.02137061 -6.58414366 -9.61476601 Fe 35.72009870 40.45584686 41.17109249 0.51226828 10.31707765 8.88966365 Fe 37.91005612 42.86785723 39.74527406 9.42960299 -0.51710162 10.51827685 Fe 39.24566835 43.39269776 41.37884593 -16.71360164 44.00907354 -84.07556374 Fe 37.28155436 40.01632497 41.99297846 7.13673731 -2.65686909 4.18454193 Fe 38.82048404 41.39044326 44.16266424 -0.40646814 -0.88940195 -0.31359072 Fe 35.06665649 42.65155182 41.99239971 -1.65295321 -0.90958412 -1.46445323 Fe 36.48840025 43.36984411 43.13320077 3.19516130 0.33624615 1.23110928 Fe 40.11824608 39.74564588 39.80882088 -35.00233294 34.41224774 45.66058313 Fe 41.20127958 41.50126359 40.85683667 -23.76043056 -14.28496709 14.34821173 Fe 42.44242952 42.23512663 40.17100236 20.41463075 12.53651095 -7.67151928 Fe 43.66957313 43.73258528 41.09410599 0.01666537 0.55982343 0.49174533 Fe 42.81192439 39.61363363 42.26480227 1.45058430 1.18695526 -0.35207054 Fe 43.80797666 41.26257230 43.91819983 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