108 Lattice="10.948452777999773 0.0 0.0 0.0 10.948452777999773 0.0 0.0 0.0 10.948452777999773" Properties=species:S:1:pos:R:3:forces:R:3 energy=-274.34733244583373 stress="-0.00626209426783569 0.0009676829114055311 0.0006034569471823623 0.0009676829114055311 -0.006178390238265672 0.0003893923898369809 0.0006034569471823623 0.0003893923898369809 -0.006113677625076715" free_energy=-274.34733244583373 pbc="F F F" Ni 0.01157318 0.03457515 0.01407031 -0.18840075 -0.41801516 -0.33740997 Ni 1.83905676 1.83482655 0.00317870 0.60067612 0.61105453 -0.61535103 Ni 1.84250808 0.03127253 1.85337193 0.44160477 -0.93773408 0.23715650 Ni 0.01018151 1.81017067 1.79584000 -0.66324843 0.78161157 0.82811407 Ni 3.62363032 0.01688676 0.02921282 0.21900435 -0.47918421 -0.46603539 Ni 5.50541372 1.79043526 0.01028200 -0.46857209 0.83867319 -0.46737584 Ni 5.47186226 0.00673640 1.84568860 0.00954475 -0.54596041 0.58014813 Ni 3.64677193 1.80734433 1.84813007 0.33939391 1.27760970 0.65027303 Ni 7.27609351 0.00453883 0.01257068 -0.30931838 -0.79672751 -0.63061163 Ni 9.11757047 1.79412174 0.03143895 0.66633332 0.56850664 -0.75092148 Ni 9.09560549 0.02339451 1.82314662 0.57280499 -0.76876637 0.62930357 Ni 7.30273413 1.80469665 1.78937695 -0.93593307 1.05248391 1.45981266 Ni 0.03444984 3.65107796 0.02997622 -0.76860722 -0.12335783 -0.74582844 Ni 1.79542855 5.46316083 0.02027497 1.16107644 -0.05846692 -0.72638895 Ni 1.79754680 3.68282787 1.80125348 1.47090591 -0.48761263 1.00413073 Ni 0.00271602 5.46395133 1.80476564 -0.85562007 0.27220216 0.80542170 Ni 3.69463786 3.62404399 0.02979063 -0.29109724 0.21341390 -0.35405544 Ni 5.44033054 5.49895057 0.01489518 0.49516306 -0.21880776 -0.35067172 Ni 5.46350118 3.69022559 1.82584574 0.24361142 -0.34768952 0.99023934 Ni 3.67325570 5.49079102 1.85838363 -0.31314520 -0.29176898 0.61406337 Ni 7.31241725 3.61875927 0.03013059 -0.86674408 0.52392238 -0.65856175 Ni 9.15241780 5.45690231 0.01358493 0.32150155 0.13096675 -0.38449384 Ni 9.11753493 3.67157736 1.79405852 0.54819393 -0.27339069 1.13495754 Ni 7.32381631 5.47927299 1.85996834 -1.23402196 -0.20990341 0.34057849 Ni 0.02986814 7.30964365 0.02167392 -0.60579638 -0.37221586 -0.59345497 Ni 1.84515632 9.13637945 0.01465278 0.49558156 0.44692066 -0.44618548 Ni 1.83374737 7.28626819 1.80326240 0.66476045 -0.58176079 1.14907420 Ni 0.01763968 9.12742344 1.83208817 -0.39961398 0.55347964 0.39445353 Ni 3.63824048 7.26273197 0.03015167 0.02854002 -0.22882651 -0.71448291 Ni 5.49691561 9.11886738 0.02487911 -0.14039309 0.20825395 -0.50281953 Ni 5.45258418 7.31108298 1.84074689 0.44599901 -0.94682556 0.53541753 Ni 3.67334703 9.09855274 1.83367470 -0.17989584 0.70104812 0.60535054 Ni 7.33335285 7.26694875 0.01167506 -0.72451658 -0.39658129 -0.56629753 Ni 9.15353625 9.15490952 0.02089948 0.18566840 0.09703898 -0.23813428 Ni 9.09537416 7.32238043 1.85218766 1.01623192 -0.64669487 0.23304310 Ni 7.31924066 9.12377316 1.80207276 -0.61659884 0.72911481 0.71732173 Ni 0.03152594 0.01724051 3.62933794 -0.59332911 -0.43425766 0.19302327 Ni 1.83754718 1.80324536 3.62999817 0.65900322 1.31324307 0.37187900 Ni 1.79744241 0.02429323 5.49539522 1.01258642 -0.71152814 -0.28372427 Ni 0.01160804 1.81749736 5.50309433 -0.67096601 0.85587152 -0.48886357 Ni 3.67504799 0.00391260 3.64632097 -0.09736165 -0.44556214 0.32292991 Ni 5.49860348 1.84532023 3.66773411 -0.47699159 0.79775216 -0.16853831 Ni 5.47974325 0.01034231 5.45882285 -0.20787884 -0.38903682 0.18310533 Ni 3.63696202 1.80024699 5.48622008 0.44998239 1.07546423 -0.34029790 Ni 7.29500248 0.01009354 3.67673978 -0.57035183 -0.67183251 -0.29120463 Ni 9.10073555 1.81501857 3.65791698 0.70726377 0.90715483 -0.18578840 Ni 9.14128959 0.00076357 5.46361655 0.33390560 -0.43819728 0.19798459 Ni 7.32740690 1.80642155 5.44252587 -0.79323201 1.01571754 0.49151525 Ni 0.02048051 3.64846786 3.62249590 -0.44842061 -0.29284716 0.34058164 Ni 1.79313062 5.44503868 3.61503712 1.26051449 0.27222660 0.38248706 Ni 1.83772456 3.61759774 5.49772628 0.62361703 0.57098245 -0.60411216 Ni 0.03307705 5.49346253 5.43869993 -0.47302559 -0.45442163 0.16422250 Ni 3.63906147 3.67098122 3.64068685 0.20894550 -0.14474418 0.36712650 Ni 5.48836051 5.51017999 3.66866503 -0.17886990 -0.33524606 -0.00456920 Ni 5.50603626 3.66972356 5.48111968 -0.51355312 -0.22824789 -0.39279589 Ni 3.65371367 5.49183941 5.48600401 -0.21075937 -0.19776306 -0.45720909 Ni 7.28585003 3.61576790 3.66225782 -0.50775564 0.53938655 -0.18907889 Ni 9.10158134 5.49266030 3.64768161 0.43444780 -0.25087269 0.19166301 Ni 9.13243045 3.70147374 5.48097959 0.15816902 -0.29547327 -0.26637913 Ni 7.26276377 5.51067380 5.46772528 -0.26088601 -0.28829819 -0.02435610 Ni 0.00140931 7.32446753 3.62560430 -0.51290953 -0.68102297 0.09816907 Ni 1.83024757 9.11042853 3.67382182 0.42822112 0.56087255 -0.28947684 Ni 1.80879229 7.27587367 5.44139621 1.07937006 -0.57202535 0.21722926 Ni 0.00113982 9.15649814 5.50206809 -0.39371247 0.27040718 -0.29206809 Ni 3.64219203 7.30820425 3.64093732 -0.00130369 -1.01027763 0.32205450 Ni 5.50747243 9.09626045 3.65142491 -0.24770466 0.53591473 0.07094368 Ni 5.45909895 7.30884872 5.48853527 -0.10300273 -0.65831729 -0.12140561 Ni 3.62425957 9.14019654 5.44225486 0.39912732 0.17565232 0.19832809 Ni 7.30906568 7.31756113 3.61336300 -0.88516262 -0.71812529 0.62728732 Ni 9.14625294 9.11632071 3.68471905 0.24052055 0.41013041 0.06744651 Ni 9.11074258 7.28408402 5.49740440 0.44749026 -0.60912895 -0.24362332 Ni 7.27532990 9.11167600 5.48883402 -0.30161975 0.43983086 -0.17446464 Ni 0.02702942 0.02184985 7.29116440 -0.70648379 -0.62309490 -0.31687465 Ni 1.83177493 1.85775161 7.27383405 0.87262334 0.51533598 -0.15433233 Ni 1.80284795 0.01325862 9.10327750 0.60058943 -0.52614765 0.54053134 Ni 0.03533845 1.82369340 9.10607954 -0.63491685 0.49932266 0.55663299 Ni 3.65201431 0.01907424 7.33541917 0.23657495 -0.48220734 -0.78208886 Ni 5.50612640 1.85288735 7.27351909 -0.52359168 0.51827497 -0.55591452 Ni 5.50647860 0.00273415 9.15368622 -0.16364050 -0.15846723 0.29218768 Ni 3.64534508 1.82313316 9.13103759 0.07447774 0.82019253 0.29422119 Ni 7.26483614 0.02532551 7.30853468 -0.19212224 -0.62736449 -0.67959119 Ni 9.12611005 1.82811323 7.30517087 0.58582060 0.49977449 -0.81805987 Ni 9.11796745 0.02666321 9.12290329 0.18631802 -0.27252769 0.22349293 Ni 7.31084167 1.85448972 9.12762781 -0.55002890 0.29525729 0.67002806 Ni 0.00922979 3.65462039 7.31638140 -0.68508546 0.18327394 -0.93144644 Ni 1.82793991 5.46719498 7.32216300 0.62406219 0.13143751 -1.17901203 Ni 1.78891832 3.67890894 9.11999333 1.20296215 -0.27320354 0.58427468 Ni 0.01212151 5.44912890 9.13574857 -0.55441083 0.38877046 0.35108280 Ni 3.64730150 3.66918654 7.27352158 0.27111001 -0.20647471 -0.33485469 Ni 5.47284051 5.44501751 7.26257890 0.02492676 0.15744310 -0.22928246 Ni 5.50371178 3.62833653 9.13315901 -0.43943452 0.40112576 0.21487691 Ni 3.64208907 5.50409692 9.09666591 0.33261286 -0.39311416 0.51623021 Ni 7.30741520 3.62496490 7.29291378 -0.52789988 0.41232705 -0.85883361 Ni 9.15712968 5.44219509 7.29617778 0.27605755 0.18714280 -0.40859091 Ni 9.15368063 3.62054715 9.13367997 0.30910423 0.21740301 0.34611862 Ni 7.32058708 5.47441757 9.08778227 -0.57761112 -0.34545330 0.47108517 Ni 0.01589310 7.30226957 7.26598171 -0.56703785 -0.66244362 -0.26992909 Ni 1.82871677 9.15118592 7.26347627 0.66478663 0.36889836 -0.31383093 Ni 1.81749472 7.31664170 9.12111065 0.58113626 -0.61300231 0.50710050 Ni 0.02907762 9.09698634 9.12913277 -0.32411940 0.33276850 0.15885294 Ni 3.65102266 7.29771004 7.31445760 -0.00438104 -0.47317033 -1.08631097 Ni 5.47951351 9.14432024 7.29356360 -0.17271912 0.38486253 -0.52331559 Ni 5.51964276 7.28397058 9.09801309 -0.40954107 -0.57239715 0.46272352 Ni 3.66448678 9.12747270 9.11169244 0.02132850 0.27523911 0.36359731 Ni 7.30745648 7.29843471 7.30385218 -0.83203771 -0.81861858 -0.97680547 Ni 9.13863743 9.10880026 7.27529473 0.39401773 0.60142307 -0.38902558 Ni 9.08863823 7.32721594 9.10690610 0.80011861 -0.73623326 0.52126666 Ni 7.31172477 9.08829985 9.13581449 -0.55300613 0.80425573 0.38399566