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=-226.74468461746352 stress="-1.4540446318046387e-05 -3.5557821118280566e-05 1.928718959265937e-05 -3.5557821118280566e-05 -2.7300994524451273e-05 1.697337430685669e-05 1.928718959265937e-05 1.697337430685669e-05 1.3663234192416463e-05" free_energy=-226.74468461746352 pbc="F F F" Ni 35.37633463 34.88110533 35.31471928 -0.49440822 -1.22267813 -0.50990587 Ni 36.46952095 36.32189943 36.16386972 -1.63769344 -1.96093662 3.37067495 Ni 37.45025620 37.44445404 35.45239820 2.58946573 3.05484035 -1.71337808 Ni 38.65363713 38.92231423 36.66265278 -1.30310517 2.50293687 -2.67799148 Ni 37.68363838 34.67012538 37.27305615 0.33967711 0.99687174 0.10541652 Ni 39.18971959 36.16429809 39.06405160 1.28335265 3.89324777 -7.03114103 Ni 35.45047230 37.98017135 37.44771670 -0.17398633 -0.22927105 -2.06429875 Ni 36.16051063 38.91793426 38.99971651 4.08762154 -1.03101816 1.11197941 Ni 39.32851615 34.68313055 34.64579749 -0.07778763 0.60860155 1.24438410 Ni 41.07461244 36.04989673 36.71826160 -2.23032867 3.30862586 -0.81192123 Ni 42.20774313 37.93348244 35.01520648 -3.11268333 -2.77655556 0.10710882 Ni 43.45384109 39.22434521 35.40485761 1.95911487 3.61804078 1.29632472 Ni 42.11287416 34.62859478 37.06691485 2.21420420 -3.28398112 0.72498721 Ni 43.63664823 35.98937253 38.08863815 -0.75077488 0.38852826 0.15329268 Ni 39.51567701 37.69823237 37.04928231 2.33879237 -3.80217217 1.78046881 Ni 40.98142533 38.81544699 39.13350073 -1.50509071 0.53032128 -1.41656729 Ni 35.22262282 39.76540044 34.72800532 0.88278993 0.22859983 0.79262614 Ni 36.54714913 41.60304818 35.90503041 -2.74050548 -5.43165939 5.72059397 Ni 37.05403308 42.62092295 35.01882052 2.86679974 5.32351364 -3.92552868 Ni 38.89586628 44.03185564 36.14371910 -0.22236904 -1.70421488 0.24033168 Ni 37.70609579 39.92647898 37.80988936 -1.63261007 1.27918460 1.01946525 Ni 38.67198180 41.52723666 38.82895218 -0.19444174 2.12846818 -3.27297183 Ni 34.69667748 43.03559530 37.28017817 0.74721670 -0.33690272 -0.74728005 Ni 36.60192668 43.02233487 38.54185675 1.06457130 -1.10386906 0.34979452 Ni 39.66068129 40.35760404 35.20567221 -1.20001303 -0.68361171 -0.11364469 Ni 41.00439459 41.55820902 35.96963622 1.74779636 -2.15652751 -1.53946242 Ni 42.30539633 42.12654232 34.94151616 2.63787761 0.72202618 -0.77037567 Ni 43.35433959 43.95438499 36.61268602 -1.10074802 -1.09512319 0.30322862 Ni 42.42010011 40.20988817 37.44433661 -4.44071614 -2.69467135 -3.15648329 Ni 43.58168652 41.11354409 38.25203356 2.58923203 3.43302460 2.54826668 Ni 40.38688112 42.08824509 37.10112862 -2.40903601 2.39932230 4.85082857 Ni 41.54785791 44.06841281 38.76937721 0.70057509 -1.07185004 -0.65608977 Ni 35.14324796 34.65161836 39.17080015 0.30238762 -0.06606327 -0.60467076 Ni 36.38873592 35.73945278 40.70985009 -0.46083859 0.03657565 0.73394870 Ni 37.90565462 37.01927222 39.86230136 -2.50743620 3.21040786 1.37655756 Ni 39.00156541 38.99673192 40.80822048 -1.43642487 -3.17098672 1.10598327 Ni 37.99337917 35.06343399 42.23679912 1.11340286 1.00367784 -0.62172353 Ni 39.19332522 36.49106489 43.84929664 -0.90367901 -0.25467978 1.45583743 Ni 35.00500341 37.66282295 42.55165555 0.55028195 -0.06168413 -0.65909030 Ni 36.88321688 38.63357110 43.62647937 -0.04985706 -1.21101489 0.67562307 Ni 39.52038785 35.28966064 39.84018430 1.43243420 -5.34817529 5.12602853 Ni 41.17903594 36.03753670 41.30534914 0.63089613 -1.06377308 -2.96689184 Ni 42.40095341 37.83401109 40.31387018 -0.57580251 -2.34262915 -0.23443084 Ni 43.77235954 39.03301330 41.19046025 0.80669763 1.63967058 1.46052994 Ni 42.25404584 35.02594753 42.76047723 0.84021582 0.15801849 1.32610436 Ni 43.49418172 36.92234687 43.88817943 -1.02918677 0.01265737 -0.48802092 Ni 40.05517182 37.18842517 42.24120044 -1.02021612 2.45672762 -0.99467566 Ni 41.10705195 38.48991551 44.14927955 0.46143173 -0.66241959 -0.86981030 Ni 34.73470070 39.62074981 39.87854388 -2.23031800 1.26876895 1.72428407 Ni 36.58770899 41.59838244 40.85192296 -4.33789846 -2.62246944 -0.39437966 Ni 37.77109014 42.00185645 40.45831796 3.39786635 -0.18282246 -0.16617813 Ni 38.30695144 43.65284988 41.16225639 -0.59745254 1.81714589 0.18010855 Ni 37.60001142 40.18309895 42.42293429 -0.19777453 0.14742097 -2.85918044 Ni 38.45328349 41.44919299 43.69635628 -0.78898146 1.34675932 1.38924773 Ni 35.62304309 42.61196296 42.40208399 0.19709109 -0.27634184 -0.55732127 Ni 36.30054514 43.45156610 44.20906900 0.90871474 0.09961115 1.02561174 Ni 39.58604388 40.46914856 40.08683335 2.05288121 1.92257586 0.30734613 Ni 41.19774168 41.68579195 41.26227964 -1.93727528 -1.64996654 1.85803571 Ni 42.50842636 42.43928801 40.29763519 0.61548839 -0.59372605 -4.12625075 Ni 43.85666530 43.48960379 41.07828239 1.46655507 1.53785709 1.37570533 Ni 42.42006226 40.40174675 42.87054360 -2.40924777 -1.39663981 -2.36570735 Ni 43.71545013 41.00222454 44.07894161 1.71314493 1.71753498 2.00268448 Ni 39.70214372 42.73093396 42.49942435 1.17519313 0.10981711 0.49324463 Ni 42.17165542 43.39764578 44.04368674 -0.00508298 -1.41294581 -1.02128201