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=-119.19370598704812 stress="2.055161337601243e-05 -6.091513941281512e-05 -0.00010555407323503048 -6.091513941281512e-05 1.999653523668534e-05 -1.6476601147216657e-05 -0.00010555407323503048 -1.6476601147216657e-05 1.3239760331388286e-06" free_energy=-119.19370598704812 pbc="F F F" Ni 35.22086729 34.98310996 34.77096654 -0.50766578 -0.13398829 -0.41413562 Ni 36.59933616 35.93572417 35.98055861 -0.51955122 -0.97210423 1.53837021 Ni 36.69924512 37.22516294 35.23402360 -0.42239504 3.68632337 -1.76994380 Ni 38.38021302 38.78131475 35.96390753 -0.03875105 0.40958888 -1.93814135 Ni 37.29465675 34.93158033 37.36806237 0.16817715 -1.38466447 1.73252026 Ni 38.85840215 35.76443239 38.75277156 -0.63092858 1.86223067 -0.74652167 Ni 34.64671032 37.47843907 37.80973961 1.90676659 0.11431853 0.47015891 Ni 36.55604684 39.07636534 38.99475015 -1.44705846 2.73058857 -1.86853906 Ni 40.66546038 35.29377055 35.12305010 -1.01069104 -0.37438796 -1.47192206 Ni 41.59993901 36.23678549 36.50500385 -0.07015663 2.47830492 2.05423572 Ni 42.56413860 37.42957765 34.86420263 -2.19346450 -1.77580908 -1.75346270 Ni 43.67982227 38.56376137 35.86736005 1.01684198 1.63573920 2.03463707 Ni 42.81964364 35.29825864 37.98568119 -0.34054106 -0.60110872 0.32197896 Ni 43.94092265 36.30422636 39.49803907 3.39129331 -1.84001997 -0.15340199 Ni 39.63485376 37.67682157 37.44339995 -0.84324798 -1.32406678 -1.00094493 Ni 40.92663375 38.45262663 38.77269330 1.92213460 1.19840931 1.41637684 Ni 34.75331176 39.95945902 35.10549878 -0.63507894 -1.23522086 -0.68216382 Ni 36.14575737 40.88078096 36.24085714 2.16556211 0.71275981 1.79788765 Ni 37.54451041 42.16002737 34.69446895 0.28540521 -0.79710489 0.42391631 Ni 38.61643991 43.32327578 36.40123177 -3.54951062 1.82269414 -1.68901256 Ni 37.95366604 39.88968876 37.71888199 -2.02957017 -0.86908894 -1.15962558 Ni 39.18297782 40.79320854 38.39174556 3.63357210 2.12575937 0.78534576 Ni 35.42822756 42.83814538 37.63905551 -0.19609051 -2.43088685 -3.10100280 Ni 35.90975672 43.66349090 39.11824152 1.59968061 0.71466110 3.85981498 Ni 40.38619242 40.63633417 34.70305829 -1.11636303 0.22211627 0.27281333 Ni 41.60365422 41.12475624 36.46651109 -1.99184886 2.48735889 -0.00022144 Ni 42.13700750 42.97130329 35.31952000 -2.50360385 -0.53648481 -1.11260062 Ni 43.76314530 43.46171569 36.36724050 1.11268778 -0.47112162 1.81798163 Ni 42.58087455 40.09122498 37.35935114 -0.01642384 -4.71743872 0.42022615 Ni 43.58710768 41.09133389 38.54532507 1.10182256 2.03314498 1.47949313 Ni 39.66448343 42.68403127 37.11226018 3.73304783 -2.71933806 1.02979164 Ni 40.97555741 43.31914392 38.89352680 -3.68467223 0.45874071 -1.17997785 Ni 34.86461300 35.53945649 39.53882749 -1.04596437 0.08851690 -2.29209247 Ni 36.18959060 36.09305905 40.84266193 1.18268358 2.29680210 1.04242958 Ni 37.00297454 37.99791377 39.62151619 1.29627882 -4.03485173 1.33931509 Ni 38.55150311 38.51894432 41.34725891 -1.30102506 -2.60639607 2.30511436 Ni 37.07742728 34.94111869 42.36669775 1.20252882 -0.23395748 0.78821887 Ni 39.08450338 35.75571598 43.58475277 -1.82166802 -2.26224459 0.61606480 Ni 34.99655912 37.96978731 42.51668654 -1.28621537 -2.21509248 -3.60461363 Ni 35.99198343 38.91950201 43.54655608 0.17111356 0.27915739 3.17877949 Ni 39.81656662 34.95156209 40.41040162 0.20999369 -0.54224686 1.94105047 Ni 41.48837336 36.00831489 41.43404765 -0.83450886 3.82667688 -1.75759539 Ni 42.84911873 37.25854751 40.08801189 -5.34780408 0.06281887 -1.21081374 Ni 43.60556472 38.49425818 41.03735392 1.09848171 2.54525343 2.08144341 Ni 42.20384740 34.85081933 42.03810700 1.95483289 -2.77570395 1.75259738 Ni 43.64763455 35.34042898 44.00814638 -0.78730730 0.22251166 -0.95542725 Ni 40.09980901 37.00409575 42.77385137 0.15165331 0.74377288 -2.35869250 Ni 40.94042883 38.73073442 43.33389331 0.83110185 2.78602085 -0.39262985 Ni 34.83286624 39.78943560 39.93496123 -1.94726767 -1.88718856 0.11468501 Ni 35.88698845 41.37258873 40.69388696 0.80590441 1.91363662 1.41371818 Ni 37.82350393 42.21827495 39.80335328 -1.30245405 -2.67504458 -3.17405688 Ni 38.63834321 43.28337470 40.87827378 2.02123624 1.95437391 2.61728365 Ni 37.36102597 39.94186987 42.87644269 1.71569888 1.90233206 -2.06385854 Ni 39.23985324 41.23083113 43.53235402 -0.40843985 -0.98942189 0.81203277 Ni 34.62935593 43.15375932 42.67624286 -0.16273697 -1.00502949 -1.17734765 Ni 36.55904245 43.79540286 43.37563583 1.48309068 -0.27631218 -0.47129593 Ni 39.50493887 39.74812168 40.36805486 0.56768086 1.35906933 -1.55774496 Ni 40.89974943 41.22892384 41.12165250 2.17934829 -1.52821672 -3.21972167 Ni 42.34497277 42.80178516 39.71375535 3.27602139 -1.50630184 2.98741070 Ni 43.96837464 43.91658749 42.17859047 -1.38060782 -1.35526886 0.19645383 Ni 42.78173685 40.42044581 42.42458085 -1.28796696 -0.45618347 -0.93418078 Ni 43.82327501 41.37060237 44.08965562 -0.00935393 1.12286423 -0.11165611 Ni 40.39757659 42.11536967 42.13716159 0.27031243 4.10165417 1.85715342 Ni 41.04530390 44.06242240 43.78359587 0.21598046 -1.36590501 -1.17595433