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=75.2596345469035 stress="-0.0010387332434640723 -0.00012201836095459741 -0.0002911540792245583 -0.00012201836095459741 -0.0011437187655306648 -2.4117835470799835e-05 -0.0002911540792245583 -2.4117835470799835e-05 -0.0008729904726892272" free_energy=75.2596345469035 pbc="F F F" Fe 35.49028470 35.34013519 35.03091681 -29.03099192 -40.85166384 -30.62400853 Fe 36.18145323 36.31152306 35.76128550 30.39321279 40.50369425 31.62470993 Fe 38.01161686 38.21548943 35.32905810 -1.98366993 -1.38216447 0.95755232 Fe 39.34386170 39.40818390 36.59631421 -2.16072699 5.55513396 11.87438478 Fe 37.62793321 34.81339034 37.99163138 -32.31119005 -44.56418984 -12.29734231 Fe 38.40999668 35.93522116 38.30556638 33.01661779 46.08647597 10.87474712 Fe 35.13514289 37.98916778 37.10785207 -2.66169858 -1.03578788 -2.50834145 Fe 36.51981643 38.97174875 38.23028093 -135.69442988 -94.52711124 39.42661085 Fe 39.90059120 35.29134718 34.88281805 -1.88686600 0.08882058 -2.52837235 Fe 41.09867470 35.30831144 36.57025101 -11.02823211 -4.43271957 -9.36113453 Fe 43.04287668 37.70736695 34.80460026 -7.08206331 -3.85049096 -15.65175666 Fe 43.71077251 38.07520038 36.31789440 5.84121354 2.86367174 16.97034282 Fe 42.26222898 35.76478311 37.71531894 11.23981171 8.16907654 11.10772620 Fe 43.72778797 36.13854941 39.40461769 7.43613287 -10.79415114 -0.16959283 Fe 39.91703915 37.83933308 37.48258315 -4.40541687 -14.21836868 -3.44967051 Fe 40.95920718 38.78993668 38.63032857 10.08938434 5.33398914 4.75786955 Fe 35.13303775 40.01482395 35.02429077 -1.77827018 -3.07991294 -3.42230051 Fe 35.85017965 41.24303602 36.34877031 32.86380249 -62.60337433 -32.26697435 Fe 36.64627581 42.43079986 34.87331871 0.52440846 1.62875501 -3.04850359 Fe 37.91513728 43.30319876 36.66531513 -1.03119258 -1.75620790 3.53197871 Fe 37.42607218 39.62489633 37.97748079 137.88452457 98.37134141 -39.64329543 Fe 39.01063076 41.93832113 39.26569687 2.56505950 -0.44925528 0.27279705 Fe 35.35564770 42.26883187 37.01530835 -29.43759980 63.41762106 41.38476553 Fe 36.67032358 43.95618254 38.88208278 -13.64624823 34.56646983 -18.72446186 Fe 39.64027990 39.83382035 34.92857288 2.28870002 3.26262046 -14.29453462 Fe 41.18629371 41.17852277 36.07845499 -12.42927696 3.85094602 -1.80873611 Fe 42.42429754 41.69360248 34.65953101 4.30138287 1.41241480 -3.91670119 Fe 42.92800809 43.53790993 36.23034927 -1.12593128 -3.40129675 1.01428928 Fe 42.51951712 40.45683445 37.01170591 1.48186513 -10.09610011 -7.47782409 Fe 43.37318784 41.06674505 38.36754240 7.53733055 5.49623789 13.99589210 Fe 40.04967437 42.53203911 37.50906944 1.74901944 0.56076114 -2.08854919 Fe 41.14810616 43.64377634 39.16177341 -56.02542496 53.16856214 -23.08829215 Fe 34.74116192 34.57632825 39.98678436 1.92559985 1.39812204 2.01098885 Fe 35.91847990 36.87523027 41.50108204 13.14216259 -4.19557615 -8.99028668 Fe 37.36507262 37.46135882 39.59983199 0.84285507 -0.76328133 0.86863691 Fe 38.70582100 38.79864642 41.20234021 1.12597507 -3.78158111 -4.34004731 Fe 36.94489489 34.85695805 41.99458733 -0.74730720 -0.48242395 -0.82942787 Fe 38.67014986 35.28492850 43.76945677 -0.00808095 0.58668372 -0.64068245 Fe 34.54471943 37.29324895 42.42458714 -13.41920531 4.26730685 9.49133732 Fe 36.49820531 38.24644426 43.98128385 0.21067229 0.62594314 -2.99291464 Fe 39.70153399 35.08691277 40.08872767 -8.04861887 -6.57849896 -4.93248147 Fe 40.98308536 36.04209616 40.93511670 8.23945538 8.62663205 2.15621313 Fe 42.67443688 37.52902082 39.66318519 -8.42217530 9.01937243 0.87285802 Fe 43.36447748 39.31263857 40.87668655 1.36161119 1.37246900 -0.55178520 Fe 41.90691214 34.90877661 42.40829008 1.32190153 -1.36153186 2.15352944 Fe 43.73448275 36.36618388 44.14595208 -0.58537910 -0.44363122 -0.56384368 Fe 39.52752769 37.67990875 42.45333875 0.41836030 -8.19958126 3.20085431 Fe 40.91121025 38.48593784 43.66019517 3.65526466 2.51057064 2.28113973 Fe 34.87492343 40.12854482 40.08876309 -14.16848101 -18.97068659 -9.63786524 Fe 35.78259532 41.24760187 40.75352374 16.07092146 19.85680222 9.61497866 Fe 37.17717606 42.72355317 39.52737440 10.83257458 -33.00736375 16.56952615 Fe 39.36793532 43.56854062 41.37457746 -13.09820064 23.75094996 -32.21898014 Fe 37.53040348 40.14627903 41.67999445 -6.85726447 5.37606666 3.77641066 Fe 38.44377839 41.44549207 44.09113083 -0.29510397 0.61102274 -0.88904418 Fe 34.84117081 41.93866923 42.55160848 -1.15392442 -0.48495433 0.65963715 Fe 36.65743691 43.40961113 43.06228540 3.16933290 -1.12168893 -1.40135127 Fe 39.23556223 39.59308180 39.41239675 -3.00561760 1.79531039 -2.64260765 Fe 41.74334471 40.75194958 41.46715574 -21.11812657 16.86912129 -55.54094143 Fe 42.06790752 42.78064440 39.56459044 54.39254584 -53.41846560 24.66295898 Fe 44.02289914 43.48393601 41.19509214 -0.50871710 -0.23651202 -0.42736878 Fe 42.19200883 40.41473439 42.73202144 14.61636141 -16.83685964 53.03639581 Fe 43.72414205 40.77446508 43.82802203 4.53962066 1.13170674 2.34946224 Fe 39.77849043 42.71624504 42.51623617 9.91891589 -25.49402605 30.95719487 Fe 41.08560327 43.42567620 44.08483089 0.15883538 0.28478586 0.51423178