108 Lattice="10.338546586184902 0.0 0.0 0.0 10.338546586184902 0.0 0.0 0.0 10.338546586184902" Properties=species:S:1:pos:R:3:forces:R:3 energy=-531.5797208449558 stress="-0.008050809527959349 -0.0010754715898817979 -4.560345519394396e-05 -0.0010754715898817979 -0.00872240119415519 -0.0001317837852543704 -4.560345519394396e-05 -0.0001317837852543704 -0.008270804197254563" free_energy=-531.5797208449558 pbc="F F F" Ni 0.02530361 0.03488178 0.05368793 0.06884702 -0.05426748 -0.06340691 Ni 1.72347925 1.72793737 0.02602683 0.20980108 0.28019312 -0.70620679 Ni 1.72119971 0.00594190 1.72505207 0.34589604 -0.60339754 0.30530446 Ni 0.01196889 1.70943533 1.69957192 -0.54640117 0.63339148 0.47751938 Ni 3.46238941 0.03272954 0.00763692 -0.08476067 -0.06954022 0.05820896 Ni 5.15811878 1.70765407 0.02814334 0.22770546 0.26612759 -0.70417657 Ni 5.18132481 0.00843617 1.71544314 -0.26112636 -0.59973249 0.21879485 Ni 3.43808101 1.69486458 1.69163590 0.03913844 0.11111867 0.44789801 Ni 6.91264423 0.01226978 0.02233823 -0.26925384 0.11228299 0.04358971 Ni 8.61169726 1.74035542 0.00981564 -0.17595226 0.24135505 0.15909796 Ni 8.64647347 0.00623978 1.68907508 -0.31870590 0.32333155 0.48279944 Ni 6.85799124 1.71342050 1.72830514 0.66208011 0.12670242 -0.15744622 Ni 0.03430607 3.48769868 0.01578509 0.11592501 -0.07075643 0.15319330 Ni 1.72908778 5.19451722 0.01683039 0.18780283 -0.19885942 -0.64868087 Ni 1.75457446 3.47062033 1.71310188 -0.54876774 -0.20296598 0.10742398 Ni 0.00151965 5.19936156 1.71378017 -0.21871159 -0.35127459 0.32163567 Ni 3.46594592 3.41570737 0.02435084 -0.01710494 0.38956430 -0.66814227 Ni 5.17346767 5.19686752 0.03095685 -0.07157727 -0.51788280 -0.53169080 Ni 5.15956254 3.42370958 1.72277084 0.11554944 0.28811655 -0.22720199 Ni 3.42114709 5.15435522 1.69709547 0.32375556 0.19635420 0.07946759 Ni 6.90711115 3.46565186 0.01133357 -0.29428291 -0.07507773 -0.30511986 Ni 8.58853524 5.19335221 0.02972771 0.13951058 -0.32133156 0.03543645 Ni 8.62361980 3.42766552 1.74816593 0.28295628 0.07089146 0.10576634 Ni 6.94698609 5.14230066 1.73884992 -0.42816870 0.21577914 -0.17248250 Ni 0.03145374 6.92241788 0.01011348 -0.12011953 -0.48805277 -0.03934000 Ni 1.72219066 8.58205744 0.01939303 0.37614505 0.24995821 -0.07704865 Ni 1.72827004 6.90348310 1.69199563 0.05459042 0.06550507 0.45482857 Ni 0.01008063 8.60547189 1.70689821 0.10325833 -0.05803709 0.44039180 Ni 3.45327834 6.91508602 0.00698242 0.09684616 -0.23140098 -0.56067855 Ni 5.20022291 8.60802770 0.00097600 -0.21256856 -0.23564039 0.09574718 Ni 5.13981787 6.86320575 1.69843390 0.44939682 0.41065051 0.21291396 Ni 3.47325509 8.61889220 1.70642923 -0.01215731 0.37480142 0.30225888 Ni 6.89805678 6.86083784 0.02379457 -0.17393285 0.13269702 -0.44946039 Ni 8.64170327 8.58528659 0.00724878 -0.39472357 -0.28591810 0.27981696 Ni 8.63929530 6.89884322 1.72323354 0.21197207 -0.05119893 0.40321017 Ni 6.86042155 8.62135366 1.70406687 0.16893781 0.18987565 0.34487679 Ni 0.00350595 0.01318170 3.43739372 0.24602574 0.23324707 0.17091880 Ni 1.70634781 1.73585656 3.41726995 0.10959934 -0.33420141 0.20970952 Ni 1.75230547 0.00919694 5.15261288 -0.11251724 -0.42627052 -0.14509467 Ni 0.00930383 1.71127057 5.19663060 -0.34291109 0.17672476 -0.32688327 Ni 3.45260202 0.01600608 3.44539888 0.16641800 -0.31203129 0.11262915 Ni 5.17139226 1.72726920 3.42529224 -0.28871062 -0.24071905 0.36521116 Ni 5.19829691 0.00163686 5.17174891 -0.37168789 -0.28328147 -0.17151289 Ni 3.41584282 1.74354283 5.19618868 0.49026078 -0.45377352 -0.54523594 Ni 6.88129509 0.01844982 3.43210497 0.13910487 -0.56379587 0.13282530 Ni 8.58626277 1.71615563 3.47091775 0.49746519 0.11105820 -0.17179808 Ni 8.61935043 0.01243735 5.18393876 -0.24913574 0.09834050 -0.27754111 Ni 6.88851232 1.73538386 5.14217203 0.18946832 -0.29718388 0.31970385 Ni 0.03396205 3.41887662 3.47399133 -0.51246220 0.49582822 -0.23599594 Ni 1.75281986 5.20102748 3.46002555 -0.46356690 -0.27145536 -0.26091466 Ni 1.74122698 3.44410297 5.14454753 -0.35888946 0.24327079 0.38262728 Ni 0.01818783 5.19151488 5.18173825 -0.57465704 -0.44659200 -0.29768647 Ni 3.45111209 3.45075239 3.47041747 0.05226434 -0.11400590 -0.29829235 Ni 5.17132297 5.15218743 3.41621404 -0.00738695 0.17609866 0.18692815 Ni 5.20042036 3.44238786 5.20137507 -0.36854917 0.09723341 -0.35100072 Ni 3.47770421 5.19922382 5.15253985 -0.13170973 -0.28360438 0.27113187 Ni 6.86430060 3.46042178 3.46750716 0.63035367 -0.24193729 -0.22183174 Ni 8.59094610 5.18148340 3.45383529 0.67854271 -0.20683944 0.20179181 Ni 8.64653416 3.41643030 5.20206969 0.15394013 0.41144020 -0.35637817 Ni 6.90799220 5.15402224 5.15458338 0.23649032 0.29996028 0.42193935 Ni 0.00802012 6.87409158 3.42138191 -0.30851302 0.20845900 0.34169045 Ni 1.72851836 8.59673355 3.44690442 0.07253709 0.26613585 0.11569341 Ni 1.70725502 6.85881070 5.19622273 0.11385499 0.77946868 -0.49902251 Ni 0.00585637 8.62711609 5.20325277 0.25423118 -0.31846984 -0.44631017 Ni 3.47428502 6.89890170 3.44248444 -0.27625934 0.21507909 -0.13313309 Ni 5.18402625 8.60766352 3.44595812 -0.11163974 0.41974026 -0.13800039 Ni 5.18809642 6.92035673 5.16368836 -0.07838551 -0.24282112 0.09394476 Ni 3.48071680 8.60864228 5.14584816 -0.38015588 0.36639029 -0.03167774 Ni 6.88043942 6.88364882 3.44966896 0.26478555 0.13822360 -0.32699438 Ni 8.58739622 8.59667270 3.47937741 -0.12638589 -0.05447593 -0.27883482 Ni 8.63844171 6.92565839 5.16672175 0.12475748 -0.44111986 0.19605255 Ni 6.88996314 8.58274793 5.14188307 -0.09567049 0.62068867 0.33934588 Ni 0.02421063 0.00534986 6.87842778 0.06364937 0.09284726 -0.24025645 Ni 1.72921592 1.71846918 6.85903158 -0.12673359 0.13476084 0.34410066 Ni 1.69151662 0.05712299 8.58811854 0.40425825 -0.18328821 0.03806079 Ni 0.05186198 1.75677757 8.59649269 -0.16244174 0.17484874 -0.03241541 Ni 3.44197233 0.01402061 6.90210003 0.12394789 -0.62392896 -0.31288368 Ni 5.14801519 1.71182651 6.86177614 0.40127039 -0.13696561 0.43949940 Ni 5.17681672 0.01588714 8.59987255 -0.01534588 0.15373357 -0.22093833 Ni 3.44158409 1.69745241 8.58151056 0.14840777 0.30924146 0.56210616 Ni 6.92044959 0.02657475 6.88531877 -0.39941771 -0.55848586 -0.18653534 Ni 8.63086427 1.70504543 6.86521379 0.41259185 0.35324248 0.09468096 Ni 8.61006881 0.01731629 8.60615691 -0.19206917 0.22637546 -0.22338148 Ni 6.90268300 1.71654054 8.59663272 -0.36379946 0.27049307 0.43647614 Ni 0.01642888 3.44001486 6.91344006 -0.29949343 0.23607946 -0.36547563 Ni 1.69219057 5.18743677 6.87898460 0.40452538 -0.37383997 0.55389139 Ni 1.75575821 3.42941932 8.61754769 0.17640452 0.38940953 0.20686019 Ni 0.01118068 5.17315904 8.61057790 0.27475319 -0.16231007 -0.22019105 Ni 3.47955207 3.44119764 6.89401483 -0.51886617 0.35453824 0.19078055 Ni 5.16900367 5.17228226 6.89537337 0.08753322 0.11336775 0.22357892 Ni 5.14018575 3.44184228 8.60062195 0.25530495 0.04359944 0.43128475 Ni 3.47611808 5.19597401 8.63536435 -0.24500065 -0.21392810 0.06384512 Ni 6.89869320 3.43562627 6.89467869 0.23858566 0.10258274 0.21140948 Ni 8.64253962 5.18568195 6.91300003 0.11519243 -0.16368763 -0.29067858 Ni 8.58988127 3.43332249 8.62359889 -0.08522079 0.08855149 -0.30594065 Ni 6.91136129 5.17502227 8.60659709 -0.26319603 -0.25334885 0.38403696 Ni 0.00499314 6.90924677 6.87633615 -0.58556467 -0.21053984 0.23128827 Ni 1.70869318 8.60274455 6.88812428 0.48082747 0.53690526 -0.14537795 Ni 1.72519229 6.89812829 8.63762045 0.11961382 -0.23669913 0.21887429 Ni 0.02911640 8.63670309 8.61064013 0.25478597 -0.31211664 -0.27203621 Ni 3.43146098 6.90432319 6.87249664 0.23029035 0.12858171 0.53121682 Ni 5.14268651 8.63419042 6.86126134 0.11974736 0.18346670 0.38557603 Ni 5.18244430 6.87886313 8.64029982 -0.19601651 0.30783388 0.11439677 Ni 3.41186619 8.61867432 8.64094502 0.28230515 -0.35688352 -0.42778008 Ni 6.86875930 6.89327882 6.92109774 0.36774632 0.20592328 -0.22792900 Ni 8.59529418 8.64310463 6.90695507 -0.14998398 -0.24899947 -0.43827192 Ni 8.60746317 6.91257787 8.60877206 -0.09223022 -0.23540086 -0.12277749 Ni 6.92618455 8.64011014 8.61246892 -0.55906646 -0.22413091 -0.19619665