108 Lattice="10.396138332267306 0.0 0.0 0.0 10.396138332267306 0.0 0.0 0.0 10.396138332267306" Properties=species:S:1:pos:R:3:forces:R:3 energy=-399.2014812389919 stress="-0.28614641982042643 0.5779346621520762 -0.437971476598527 0.5779346621520762 -0.6923258990341274 0.4658971071105711 -0.437971476598527 0.4658971071105711 -1.1145938828715813" pbc="F F F" Ni 0.02745733 -0.00289443 0.00373591 0.71994210 0.67965490 0.71007818 Ni 1.75162011 1.72084471 0.02044781 -0.53639779 -0.22589770 -0.74980755 Ni 1.75965175 -0.03364655 1.71912543 -0.60748795 -0.28853192 0.16462876 Ni -0.02171474 1.73183028 1.70595514 -0.28038187 -0.41053036 0.05585357 Ni 3.44169480 -0.01719342 0.00816673 0.11253751 0.15075124 -0.00094609 Ni 5.19416329 1.74956044 -0.01048764 0.09214132 -0.29702749 -0.44893336 Ni 5.17532542 -0.00899628 1.71246740 0.35195609 -0.46327483 -0.12971052 Ni 3.44647815 1.70217091 1.70079577 0.17756119 0.33798111 0.42399915 Ni 6.91732236 0.02129124 -0.00189743 0.12230981 0.53300876 0.50004737 Ni 8.68529925 1.73050427 0.00000514 -0.72271007 0.01514487 0.67903679 Ni 8.63037019 -0.00437955 1.74633546 -0.40591656 0.38043911 -0.26897918 Ni 6.90468220 1.75018383 1.76701871 0.29996751 -0.37768609 -0.54637805 Ni 0.00540319 3.50668660 0.04075607 0.04624896 -0.25231859 -0.10611548 Ni 1.74584968 5.18432049 -0.01418770 -0.33026050 0.28947076 -0.35583011 Ni 1.70538659 3.43671272 1.70296426 0.31787925 0.28195845 0.48405178 Ni -0.02679628 5.17767132 1.75332113 -0.37072632 0.50437191 -0.31011088 Ni 3.44391102 3.43249533 0.02694825 0.15327059 0.22666090 -0.57094412 Ni 5.15858513 5.17736742 -0.03227096 0.22980276 0.18912116 -0.22246576 Ni 5.22664384 3.44215478 1.74104676 -0.52897769 0.21253360 0.21076265 Ni 3.45113221 5.22781934 1.72371369 0.14348835 -0.64528185 0.08339225 Ni 6.91585833 3.48126098 0.02656031 0.35869009 -0.13184157 -0.65703117 Ni 8.68826990 5.19124518 -0.00518794 -0.55009629 0.21312037 0.53991538 Ni 8.62971383 3.47873239 1.74128263 0.62895927 -0.23226102 -0.28982742 Ni 6.90759742 5.20199343 1.75357671 0.44988151 0.21708013 -0.38233611 Ni -0.03223846 6.94736833 -0.01547545 0.73965601 -0.14877339 0.62900996 Ni 1.73737166 8.67548064 0.00197226 -0.07480150 -0.55267135 0.47036449 Ni 1.74329356 6.92204079 1.72603305 -0.46495558 0.20860859 -0.33142102 Ni 0.01762277 8.63597736 1.71837198 0.29558210 -0.36747999 -0.07096039 Ni 3.44933706 6.92924477 -0.02955601 0.12606021 0.27141271 -0.33201041 Ni 5.23026458 8.65914744 -0.01118462 -0.12622689 -0.33679066 0.37599852 Ni 5.20005185 6.89875706 1.76300083 0.09634572 0.31773629 -0.59621098 Ni 3.48793091 8.65333934 1.72330962 -0.27271858 0.36009039 -0.21914500 Ni 6.91994279 6.95304251 -0.01160554 0.31222329 -0.23684774 -0.25088015 Ni 8.67626129 8.69707198 0.00424928 -0.77836179 -0.82152619 0.71599127 Ni 8.66322076 6.97983605 1.75121021 0.29704401 -0.32689191 -0.26906074 Ni 6.95866682 8.65975329 1.70677862 -0.10599018 0.40835829 0.16503296 Ni -0.01279546 0.01364618 3.48504204 0.43569054 0.45499614 -0.18137343 Ni 1.73507685 1.76052199 3.46836198 -0.12430530 -0.32046986 -0.24507156 Ni 1.74951377 0.03238632 5.17359083 -0.22210624 -0.69938453 0.13970372 Ni 0.02360048 1.75687232 5.24075794 -0.66122212 -0.18644209 -0.17928581 Ni 3.47223844 0.00980645 3.43570629 -0.20383788 -0.62317504 0.14608569 Ni 5.16896018 1.70434387 3.45141233 0.17496836 0.41707011 0.02833955 Ni 5.17232617 0.01370031 5.21649127 0.37656427 -0.69501485 -0.10472723 Ni 3.48051345 1.71034602 5.22014520 -0.28457254 0.35756308 -0.20310713 Ni 6.93443114 0.02907399 3.48404619 -0.19331691 -0.94187748 -0.24721198 Ni 8.64660500 1.69067469 3.44362324 0.84093608 0.26340141 0.02154441 Ni 8.68430332 -0.01207293 5.17591977 -0.24187134 0.29872204 0.25094138 Ni 6.94492360 1.69966570 5.16845838 -0.16632775 0.40530938 0.70073352 Ni -0.01507133 3.45089143 3.44944459 -0.39431062 -0.07756059 0.13625381 Ni 1.70664069 5.21149454 3.42350724 0.09254541 -0.20816852 0.48309511 Ni 1.75217276 3.46782013 5.20665487 -0.22750437 -0.11429643 -0.22516045 Ni -0.02533915 5.15550349 5.22712491 -0.19669616 0.40548592 -0.14529566 Ni 3.44733273 3.44646208 3.47163168 0.10995563 0.18300027 -0.44976974 Ni 5.23010308 5.17835512 3.44024231 -0.49025624 -0.20101291 0.46527990 Ni 5.18009263 3.42607047 5.18071758 0.42819769 0.23673457 0.22093014 Ni 3.44130131 5.17056832 5.18605310 0.39115731 0.49088549 -0.13981805 Ni 6.96049820 3.45722639 3.49721827 -0.41878074 -0.08649621 -0.09912637 Ni 8.69689652 5.16569344 3.46297296 0.38261321 0.50088356 -0.07800751 Ni 8.69264150 3.45538156 5.19956355 0.43987299 -0.11466474 0.05356530 Ni 6.96363060 5.20915642 5.17823687 -0.29168517 -0.19993448 0.42105893 Ni -0.02273301 6.94110139 3.48818560 -0.35940692 -0.07846414 -0.05578898 Ni 1.70144628 8.64128786 3.45629349 0.18104409 0.46865292 -0.02048538 Ni 1.73573086 6.96105834 5.22729733 -0.20953627 -0.37449875 -0.21168532 Ni -0.02108143 8.67773669 5.20069894 0.40192235 -0.27572708 0.12932559 Ni 3.45749007 6.88306402 3.44246049 -0.02970562 0.21548641 0.38474930 Ni 5.16401582 8.65419057 3.43813311 0.46478644 0.50225021 0.05866946 Ni 5.22503489 6.93022765 5.18067181 -0.31301224 -0.30276971 0.34259029 Ni 3.48749843 8.63687955 5.17699554 -0.17092399 0.54354943 0.15502215 Ni 6.90672802 6.91562891 3.49201551 0.46179274 0.30267995 -0.41749414 Ni 8.67194824 8.65438068 3.49626858 -0.33064745 -0.14208612 -0.15931938 Ni 8.65698137 6.96459558 5.20267309 0.55218871 -0.25346783 0.11938938 Ni 6.94641083 8.66441438 5.22041357 -0.17594135 0.50616516 -0.07073417 Ni 0.02504957 0.00368404 6.96191537 0.25333267 0.32409111 -0.18704920 Ni 1.72867794 1.71461249 6.91742638 0.17165996 0.17634535 0.38162280 Ni 1.71024638 0.02860195 8.64063393 0.20092398 0.36983112 -0.23283482 Ni -0.01406048 1.75236663 8.65173790 0.39733417 -0.07993688 -0.35744238 Ni 3.49512389 -0.00847735 6.92635708 -0.56478486 -0.65200351 0.24993283 Ni 5.17064650 1.70763848 6.95809676 0.72719237 0.53584874 -0.33604587 Ni 5.16629649 0.00629467 8.65254964 0.37922791 0.11185155 -0.09478684 Ni 3.49812195 1.74403047 8.64775645 -0.56854516 0.00004121 0.56924220 Ni 6.95639690 -0.00244185 6.92959514 0.15318631 -0.26527978 0.19458887 Ni 8.69500039 1.75710893 6.93291460 0.25846932 -0.41353725 0.17551471 Ni 8.68981555 -0.02182817 8.67355616 -0.87644671 0.93153895 -0.89483514 Ni 6.93942020 1.75216318 8.64244206 0.26463392 -0.39416330 0.42603909 Ni 0.01741909 3.48494748 6.96471809 -0.62424832 -0.19104364 -0.07173346 Ni 1.75906061 5.17859183 6.91335108 -0.42070947 0.56085214 0.18694711 Ni 1.70284248 3.48515288 8.65514911 0.27556269 -0.31192450 0.56398288 Ni -0.00837607 5.18664731 8.67443570 0.37795705 0.37947505 -0.37215252 Ni 3.44889837 3.47123737 6.90166830 0.27439579 -0.19361051 0.38640472 Ni 5.20419732 5.18147616 6.92713665 -0.05477685 0.12133603 -0.21638948 Ni 5.21665202 3.46167504 8.69129553 -0.11544609 0.09773544 0.21696817 Ni 3.44335508 5.21741471 8.66425445 0.19696553 -0.19836469 0.43055974 Ni 6.96546103 3.48331877 6.93512956 -0.37429186 -0.30463250 -0.32031413 Ni 8.69673231 5.19532585 6.94821025 0.35933879 0.23146175 0.00777660 Ni 8.67290448 3.48985414 8.67991907 -0.23488921 -0.15544792 -0.24246475 Ni 6.93329974 5.19267118 8.66872500 0.17839301 0.22916393 0.49348711 Ni -0.00634813 6.97095926 6.93623778 -0.22338852 -0.20292084 0.14894399 Ni 1.75146558 8.68670223 6.96369651 -0.31610854 0.46285646 -0.18001665 Ni 1.75979902 6.95092252 8.66084029 -0.42527340 -0.08304177 0.40513483 Ni 0.02092098 8.63350857 8.68714425 0.66977375 -0.62707160 -0.68123613 Ni 3.45543568 6.93746147 6.92936371 0.28054710 -0.18654715 -0.21022796 Ni 5.21730648 8.66295102 6.95701939 -0.07793033 0.41482039 -0.29713114 Ni 5.18464831 6.94573132 8.67155843 0.16380334 -0.10709987 0.43509182 Ni 3.48200090 8.67171731 8.63174678 -0.05207289 -0.08230181 0.01553154 Ni 6.93776678 6.91682382 6.96319331 0.13555292 0.10623339 -0.13847345 Ni 8.67189801 8.68757063 6.90417226 -0.45113923 -0.46948198 0.23170228 Ni 8.68085212 6.97089737 8.65934905 -0.56722780 -0.01642671 -0.51895852 Ni 6.90904476 8.69255248 8.63011150 0.28522200 -0.45784196 -0.29025276