500 Lattice="17.445915688562135 0.0 0.0 0.0 17.445915688562135 0.0 0.0 0.0 17.445915688562135" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1996.7367473018003 stress="-0.009859239319237085 0.0004314814046577994 0.00037896172012326796 0.0004314814046577994 -0.010099208106833528 0.00021797207332239433 0.00037896172012326796 0.00021797207332239433 -0.010356128458582843" free_energy=-1996.7367473018003 pbc="F F F" Ni 0.01064915 0.01898636 0.00359681 0.30700475 0.28941946 0.23597661 Ni 1.73310126 1.75270670 0.00979311 0.60892902 0.15913438 -0.10771339 Ni 1.76638434 0.02700668 1.72852515 -0.06738424 -0.30451684 0.54900769 Ni 0.01219594 1.71073617 1.75616376 -0.20408137 0.42081377 0.21476081 Ni 3.48890757 0.04763791 0.01796915 -0.04707941 -0.22054696 -0.22550166 Ni 5.26110229 1.72554959 0.00399373 -0.18819875 0.41004817 -0.13927405 Ni 5.25183633 0.00944544 1.74889365 -0.06161741 -0.45659693 -0.00343728 Ni 3.51710808 1.71087128 1.75968879 -0.38715614 0.62643714 -0.12574654 Ni 7.00601092 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3.50069870 0.01954580 -0.03853435 -0.22497586 -0.42227901 Ni 15.70313541 5.20679256 0.00603509 -0.18343065 0.25066940 0.13111188 Ni 15.67572806 3.45657895 1.72625719 0.35067284 0.58966786 0.49822577 Ni 13.95353624 5.25176586 1.72661942 0.28024330 -0.44244701 0.53416584 Ni 0.05692200 6.94353584 0.04135826 -0.42720326 0.40457174 -0.35826869 Ni 1.74781260 8.72058717 0.01111958 0.27849034 -0.28396523 -0.24893412 Ni 1.75277704 6.95498592 1.73517620 0.26480463 0.20871653 0.70629291 Ni 0.02890400 8.72328948 1.74107168 -0.39219100 -0.50955984 0.23754477 Ni 3.47679098 6.98368101 0.02577896 0.19171670 -0.07122595 -0.27254299 Ni 5.26350178 8.76620722 0.00477794 -0.28452645 -0.27632270 -0.28378033 Ni 5.26052882 7.00980474 1.72755674 -0.19351696 -0.34849078 0.22416810 Ni 3.51067888 8.68902470 1.75478804 -0.39665243 0.31798773 -0.03570347 Ni 6.94724318 6.98153947 0.00268578 0.38574219 0.29207002 -0.16899046 Ni 8.74248877 8.73582213 0.01240247 -0.34967663 -0.55096890 -0.35245858 Ni 8.73222935 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10.44124301 0.01867780 -0.11572307 0.28173445 -0.02449807 Ni 5.20314316 12.18560784 0.01969469 0.06206884 0.06719454 -0.21953631 Ni 5.24353080 10.44742006 1.75784729 -0.38566546 0.41001884 -0.14566608 Ni 3.46643961 12.24029754 1.77490239 0.22762585 -0.42345187 -0.51277145 Ni 7.00669163 10.47058486 0.01972560 -0.20993101 0.19794709 -0.44896774 Ni 8.73044775 12.24312801 0.00963572 0.31902412 -0.25535898 -0.18962527 Ni 8.70420305 10.45278052 1.71081741 0.25710399 0.49009404 0.77926839 Ni 6.95842765 12.22017997 1.71736975 0.17024952 0.06027139 0.57404532 Ni 10.44701033 10.45513151 0.03070012 0.31858356 0.43194238 -0.31296712 Ni 12.23469129 12.19446623 0.01991757 -0.25271837 0.10595521 -0.21604955 Ni 12.24430487 10.45660150 1.75034746 -0.52658994 0.00937847 0.19428128 Ni 10.49294205 12.24369475 1.73119464 -0.31852109 -0.50751321 0.21233598 Ni 13.93141746 10.47522179 0.00151537 0.30198481 -0.19980583 -0.17209694 Ni 15.67152434 12.24543642 0.03290992 0.04396011 -0.17495098 -0.06402855 Ni 15.67826696 10.45927777 1.75882166 0.34144696 0.44313902 -0.08013082 Ni 13.93808776 12.18557685 1.75340040 0.17474375 0.64012672 0.42343793 Ni 0.00996051 13.97420384 0.00501425 -0.13902493 -0.41093216 -0.01952936 Ni 1.71736205 15.71453129 0.00834869 0.52959703 -0.12771212 -0.17212581 Ni 1.71825426 13.94253168 1.74329953 0.35922928 0.30320690 0.13194332 Ni 0.03080374 15.68844538 1.71826230 -0.13372766 0.21644963 0.68508825 Ni 3.45685051 13.93064626 0.01351458 0.06971188 0.22654273 -0.24152691 Ni 5.25846847 15.72052573 0.06242700 -0.24084587 -0.20222790 -0.37513052 Ni 5.21375065 13.95013841 1.72159180 0.13747738 -0.11720077 0.38677862 Ni 3.45888193 15.68803920 1.72329896 0.02952573 0.14064924 0.33178089 Ni 7.01269972 13.91773372 0.00337835 -0.66744017 0.20961226 -0.30783632 Ni 8.70116285 15.68111087 0.00975269 0.10780263 0.02175736 -0.07362035 Ni 8.72954518 13.97208277 1.72461332 -0.10095946 -0.27219372 0.56816961 Ni 6.95202137 15.65777235 1.74685134 0.36385036 0.16075579 0.54893767 Ni 10.52384115 13.95565563 0.03488227 -0.33670982 -0.12011131 -0.70358549 Ni 12.22059056 15.73089759 0.06224190 0.36063211 -0.03203790 -0.23899655 Ni 12.18237124 13.97667068 1.77496163 0.92723832 -0.39976958 -0.14497976 Ni 10.47245568 15.66848539 1.71551847 -0.39314321 0.62253337 0.60916475 Ni 13.93215803 13.93286084 0.00540365 -0.12584078 0.26963518 0.13283678 Ni 15.68159714 15.69266636 0.00061984 -0.48262520 -0.50655146 0.41763060 Ni 15.73310744 13.95245191 1.75104719 -0.26288481 0.04411640 0.14539503 Ni 13.95623501 15.68606309 1.75904571 0.00351353 0.07417479 -0.03815625 Ni 0.01032302 0.04868532 3.52126843 -0.06253258 -0.17479581 -0.24631883 Ni 1.72472338 1.77188782 3.51034429 0.42662838 -0.27216261 -0.33896170 Ni 1.73417267 0.03136810 5.22577798 0.44440873 -0.18612440 0.09363951 Ni 0.00921982 1.76407823 5.26230024 -0.26969162 0.00729070 -0.15700385 Ni 3.50631571 0.00990205 3.50058728 -0.28702785 -0.10262060 -0.11915930 Ni 5.26221233 1.73613341 3.45769962 -0.30463711 0.27640214 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