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=70.42565493575007 stress="-0.0008051893369948658 -2.2289221734743952e-05 -0.0003330342285103136 -2.2289221734743952e-05 -0.0008480880560490882 0.00010079522695201865 -0.0003330342285103136 0.00010079522695201865 -0.0008224424905150468" free_energy=70.42565493575007 pbc="F F F" Ni 35.22086729 34.98310996 34.77096654 -3.48621326 -2.24051106 -2.95206322 Ni 36.59933616 35.93572417 35.98055861 -6.04590770 -19.84435890 16.82154005 Ni 37.14715992 37.22516294 35.23402360 -1.40148912 8.05989795 -26.38226856 Ni 37.93229823 38.31172061 36.19084223 5.47227540 19.40049498 7.53896918 Ni 37.29465675 35.14771729 38.20399864 -9.20668458 -2.68926903 -3.57115312 Ni 38.85840215 35.76443239 39.02546443 8.34765684 6.99404401 -0.30127739 Ni 34.95577374 37.79563377 37.93187189 -0.29542287 -1.33835587 -1.25279798 Ni 36.55604684 39.07636534 38.99475015 -20.01499121 50.58143254 -28.82798764 Ni 40.78248547 35.50979054 35.01871475 -1.70970435 -1.05729212 -4.03993741 Ni 41.20935311 36.04524550 37.00114475 -5.62044030 5.15412753 1.86667768 Ni 42.56413860 37.40080582 34.86420263 -6.29509733 -5.72360508 -4.63233713 Ni 43.67982227 38.56376137 35.86736005 5.91795131 5.41836817 5.39509816 Ni 42.81964364 35.29825864 37.75344230 4.34405589 -6.16854258 0.60643479 Ni 43.94092265 36.58905321 38.94859689 19.08738405 -2.96045680 -14.73098238 Ni 39.13852573 37.20608632 37.20242380 4.35756931 -3.08772299 4.11423215 Ni 40.75858622 38.88988228 38.51999491 0.80340700 -1.60080192 -0.91407835 Ni 35.10340100 40.31298788 35.02164361 -2.73114175 -2.26650973 -1.81358931 Ni 36.63900191 41.14262195 36.24085714 -8.99451227 -16.58502773 26.79261739 Ni 37.21949456 41.99713164 35.09651729 12.03270444 16.84374662 -24.76070034 Ni 38.61643991 43.32327578 36.40123177 -34.53831437 21.94171337 -22.41990560 Ni 37.95366604 39.88968876 37.71888199 -10.97523190 -8.06773004 -8.64308956 Ni 39.18297782 40.79320854 38.39174556 15.96901708 10.62257548 8.93475248 Ni 35.34278350 42.83814538 37.63905551 -2.13139867 -9.70363993 -16.12417013 Ni 35.60366252 43.66349090 39.11824152 3.51859815 8.41528394 16.93227319 Ni 40.26176311 40.27927672 34.77599447 -1.65228566 -0.73155133 0.02209732 Ni 41.60365422 41.12475624 36.46651109 -11.19861934 13.42185474 -8.85543766 Ni 41.67119966 43.29253646 34.78221554 -1.98242356 -0.70035036 -0.29296787 Ni 43.57559210 43.55058575 36.17451505 0.64251665 -0.60853789 1.66366506 Ni 42.58087455 40.09122498 37.35935114 10.20222224 -12.70247567 10.67322273 Ni 43.97462727 41.11272182 38.87984742 0.79472629 0.15512174 1.32795002 Ni 39.66448343 42.68403127 37.11226018 34.42578015 -21.71466757 21.98005395 Ni 40.97555741 43.31914392 38.89352680 -16.73321544 5.86589259 -8.70268072 Ni 34.77045360 35.28866239 39.68786656 -0.63773360 -0.09798116 -2.13966488 Ni 36.11803101 36.09305905 41.30199494 -12.65420440 10.54072323 -7.39590747 Ni 37.00297454 37.99791377 39.62151619 20.57569577 -54.25123889 26.46795600 Ni 38.07353166 38.51894432 41.34725891 -4.68555890 -4.81702200 5.48963594 Ni 37.43970136 35.30962604 42.02044147 9.47704392 -7.74483392 9.78823801 Ni 39.08450338 35.75571598 43.58475277 -8.08343459 -22.35071300 15.75123979 Ni 34.99655912 37.96978731 42.51668654 -6.95833575 -5.14871475 -6.92114998 Ni 36.22422232 38.91950201 43.54655608 -6.73822091 -7.59588228 14.16775444 Ni 39.08532250 35.00206044 40.83625574 5.39074830 -2.97819741 3.35555957 Ni 41.48837336 36.00831489 41.43404765 -20.82378219 29.30544557 -14.21237622 Ni 42.84911873 37.01595790 40.07449325 -19.57871175 1.36848222 10.12325086 Ni 43.60556472 38.49425818 41.03735392 2.63102608 7.73981184 4.71119550 Ni 42.20384740 34.85081933 42.03810700 17.94690659 -29.76562179 15.18559488 Ni 43.75567948 35.58042468 44.03850275 -0.24910729 0.40553298 -0.26470336 Ni 39.60939942 37.00409575 42.77385137 8.90386905 23.33727533 -15.73329794 Ni 40.88981588 38.99050463 43.64455433 0.49496969 -0.26650273 -1.16867953 Ni 35.03346674 39.71662307 40.34902654 -4.97805946 -2.66101817 0.36923075 Ni 36.12753280 41.21395641 41.27609686 3.01650067 3.02151325 1.12942415 Ni 37.82350393 42.21827495 39.80335328 -8.32569609 -11.80260248 -12.07955097 Ni 38.63834321 43.28337470 40.87827378 8.25967251 11.02592089 11.04578778 Ni 37.36102597 39.94186987 42.87644269 15.25915828 14.85988690 -6.78123276 Ni 39.67171808 41.11056424 43.96640764 -1.50791003 -0.58617747 1.69463873 Ni 34.85019353 42.97085593 42.41342367 -5.53314513 -1.31463541 -4.31454888 Ni 36.40009545 43.42893138 43.60183795 6.11422739 0.86186222 3.48171506 Ni 39.60146438 39.30457994 40.50975364 5.73262572 3.04702063 -2.57268785 Ni 40.89974943 41.22892384 41.12165250 10.72642361 -26.49871858 -36.34211142 Ni 42.34497277 42.80178516 39.71375535 16.47658021 -6.54957654 10.36592750 Ni 43.84947997 43.91585207 41.75724536 -0.81315282 -0.86762834 0.13344817 Ni 42.43376557 40.85345170 42.38498733 3.06802148 -3.30047376 -0.05575402 Ni 43.66153064 41.54291660 43.96495890 1.93523576 1.66993637 2.86650339 Ni 40.39757659 42.11536967 42.13716159 -15.59432118 28.71684417 28.64523832 Ni 40.86157597 44.04079721 43.69789396 0.24989794 -0.38586396 -0.24283336