108 Lattice="10.439340135177723 0.0 0.0 0.0 10.439340135177723 0.0 0.0 0.0 10.439340135177723" Properties=species:S:1:pos:R:3:forces:R:3 energy=-407.71839676510376 stress="-0.009014591453439505 -0.0005882947355138238 -0.0009607304702798976 -0.0005882947355138238 -0.009404314038754129 0.00030078236284069296 -0.0009607304702798976 0.00030078236284069296 -0.009569293741396964" free_energy=-407.71839676510376 pbc="F F F" Ni 0.00158187 0.00745326 0.02321036 0.50411018 0.55001742 0.52294722 Ni 1.72651538 1.75205676 0.01845777 0.17898037 -0.22668166 -0.40282197 Ni 1.76432980 0.01652449 1.72249417 -0.40668000 -0.42308386 0.17894010 Ni 0.00934896 1.74995448 1.76828931 -0.56171896 -0.49482960 -0.28667677 Ni 3.48924547 0.02552709 0.03991245 -0.15273017 0.00436680 -0.18144386 Ni 5.23152524 1.70908969 0.02654735 -0.09427276 0.34351831 -0.70306109 Ni 5.22147346 0.00518543 1.70799594 -0.02173544 -0.46040035 0.53013936 Ni 3.49444259 1.74574687 1.77147968 -0.07006140 -0.05674399 -0.28247495 Ni 6.96621182 0.00158563 0.03165369 0.09643064 0.15533642 0.16790964 Ni 8.69123323 1.71214293 0.02142186 -0.13642883 0.13469948 0.17067082 Ni 8.72573663 0.02843441 1.73091973 -0.36918842 0.16597413 0.17979148 Ni 6.93687006 1.76895967 1.76142395 0.41279801 -0.47248072 -0.05051094 Ni 0.03994619 3.45861262 0.01014464 -0.10681194 0.20909322 0.13791595 Ni 1.76841145 5.19365275 0.02099831 -0.31358661 0.40269599 -0.33669067 Ni 1.72055017 3.45427142 1.76027338 0.28642325 0.27147914 -0.26559725 Ni 0.02223478 5.24882257 1.76368719 -0.56952436 -0.22334463 -0.36012289 Ni 3.46598432 3.50506648 0.03160429 0.12686278 -0.49447881 -0.58588589 Ni 5.24696945 5.20785567 0.00720789 -0.11473785 0.11780155 -0.25660042 Ni 5.18915543 3.44725780 1.72040143 0.34135190 0.35845044 0.40874371 Ni 3.46417447 5.19968256 1.74761106 0.26131332 0.43941384 0.20401663 Ni 6.98962962 3.44643215 0.03379239 -0.44878305 0.08525560 -0.60013295 Ni 8.65036437 5.18814238 0.02326074 0.17255610 0.28441308 -0.19734613 Ni 8.68389054 3.51319053 1.71814539 0.58202795 -0.39583101 0.42058020 Ni 6.93462456 5.24623062 1.75340490 0.00786830 -0.39452295 -0.03775424 Ni 0.02617754 6.95271563 0.00885475 0.23572609 -0.07580723 0.15425779 Ni 1.74921988 8.68491537 0.00904707 -0.06338408 -0.13770889 -0.03150720 Ni 1.73537479 6.98044655 1.76130342 0.32484053 -0.19809723 -0.22620791 Ni 0.02829637 8.69144409 1.71558867 0.07501394 -0.05546693 0.09180273 Ni 3.50311846 6.97857833 0.01286746 -0.10559272 -0.30560865 -0.33930545 Ni 5.21394106 8.72617599 0.02197614 0.18465906 -0.16138241 0.05131325 Ni 5.22992408 7.00232097 1.74369248 -0.25909491 -0.35170816 0.11881265 Ni 3.45370787 8.71069190 1.70516582 0.15732093 0.39535753 0.51452885 Ni 6.98623977 6.95340452 0.00698724 -0.20709276 0.27493820 -0.51626726 Ni 8.73131565 8.69086415 0.03178280 -0.48932159 -0.50402211 0.46772617 Ni 8.67528552 6.94224483 1.74818858 0.81720617 0.06993608 -0.03922215 Ni 6.98382990 8.66624305 1.73084623 -0.01863442 0.74170562 0.04565028 Ni 0.00149913 0.00320953 3.51376479 0.36869727 0.31229245 -0.09038418 Ni 1.75684330 1.75570572 3.45093706 -0.29102405 -0.34568955 0.56196181 Ni 1.77233437 0.02896064 5.22858678 -0.38691632 -0.52179174 -0.00494787 Ni 0.01107671 1.76655535 5.24898496 -0.33305349 -0.46013285 -0.41196634 Ni 3.46751902 0.01030667 3.48661779 0.17746220 -0.43349546 -0.14188301 Ni 5.23087854 1.73017153 3.51964906 -0.29977719 0.38710811 -0.32095422 Ni 5.20495210 0.03078405 5.21565091 0.14907335 -0.60106457 0.11444136 Ni 3.44826293 1.74890612 5.22884647 0.33815468 0.38929106 -0.18321134 Ni 6.93936667 0.02311969 3.46014973 0.23492866 -0.43298391 0.03420879 Ni 8.72156857 1.72313491 3.48985620 0.17469152 0.32108888 -0.21559527 Ni 8.67466673 0.03260459 5.19813750 -0.08261710 0.04108983 0.16462198 Ni 6.95540613 1.77264230 5.23028174 0.20049241 -0.23054944 -0.14001390 Ni 0.00882285 3.45206553 3.46518908 -0.64203963 0.27870311 0.32037117 Ni 1.70776720 5.19589023 3.45080001 0.54320256 0.36936348 0.54213493 Ni 1.71024973 3.49819260 5.22511719 0.41595954 -0.11206731 -0.17040315 Ni 0.01183409 5.25378113 5.23499591 -0.37518327 -0.20234194 -0.30479916 Ni 3.46025112 3.46010878 3.47397248 0.34024572 0.36130244 0.36737217 Ni 5.23668859 5.20121720 3.45613868 -0.34122329 0.11852322 0.36168677 Ni 5.23408624 3.48531470 5.24783466 -0.32928449 0.15560087 -0.27137578 Ni 3.44582725 5.20113052 5.25406952 0.27981489 0.02025036 -0.61295882 Ni 6.96565230 3.47024343 3.45385053 -0.11874915 0.12537126 0.38142148 Ni 8.69544734 5.19439435 3.50876327 0.44946145 0.17800949 -0.24758029 Ni 8.72320946 3.48649523 5.23428072 0.22883274 -0.20750793 -0.10281020 Ni 6.97799963 5.25442385 5.21213928 -0.47474344 -0.27517354 0.19819666 Ni 0.02645489 6.99574246 3.47643754 -0.51148295 -0.12971953 0.16035925 Ni 1.73064347 8.71829478 3.50045458 0.27366974 0.41304557 -0.26052637 Ni 1.75457712 6.98679981 5.23782582 -0.02431596 -0.40053634 -0.40533430 Ni 0.02276912 8.72594859 5.19057356 -0.06028346 -0.18252182 0.25357954 Ni 3.48594256 6.95988770 3.48891482 -0.21481825 -0.25802840 -0.25749694 Ni 5.21021008 8.73111070 3.51062079 0.17352245 0.33007349 -0.71703340 Ni 5.20105477 6.99177629 5.18630220 0.26110312 -0.82826517 0.33030550 Ni 3.50683392 8.71508131 5.18616808 -0.42576823 0.45230735 0.45779654 Ni 6.99363094 6.96536292 3.45331352 -0.48520081 0.05382843 0.41142222 Ni 8.70992153 8.71624821 3.49896331 -0.19885485 -0.16149459 -0.13969408 Ni 8.68981010 6.98413967 5.21401504 0.51114630 0.00207828 0.14826512 Ni 6.92945828 8.68834943 5.20912052 0.36055327 0.46548738 0.18887390 Ni 0.00175751 0.02748255 6.96542919 0.26251094 0.20764897 -0.09315729 Ni 1.76942958 1.74326407 6.94367145 -0.43813044 -0.08247484 0.27930026 Ni 1.72174568 0.01398297 8.68870861 0.02543731 0.21473539 -0.23896745 Ni 0.01174606 1.77575123 8.66779612 0.16410061 -0.15553669 -0.12117932 Ni 3.50395769 0.02146267 6.98044380 -0.26243157 -0.69446756 -0.06738668 Ni 5.18689533 1.72633593 6.94895363 0.36963842 0.30868314 0.15904237 Ni 5.20975461 0.00058281 8.70931525 0.09547513 0.14985780 -0.15126509 Ni 3.45531210 1.73784554 8.68459021 0.07456967 0.01337728 0.69519600 Ni 6.97426414 0.03334490 6.95421985 -0.11762389 -0.40346792 0.13160261 Ni 8.70241115 1.75113576 6.99236805 0.36554163 -0.15537293 -0.02432694 Ni 8.67176920 0.01867971 8.72321938 -0.45556247 0.45215908 -0.47407388 Ni 6.93244761 1.71980273 8.72429230 0.27133186 0.10084211 0.17387494 Ni 0.00358590 3.45345097 6.92573531 -0.51853766 0.43309371 0.35387839 Ni 1.73761412 5.20684637 6.98453642 -0.17039898 0.28500843 -0.19475547 Ni 1.71297782 3.50136885 8.67366502 0.05383566 -0.25474829 0.66482109 Ni 0.00483960 5.21238686 8.70921497 0.06692831 0.07895984 -0.22068580 Ni 3.44824129 3.46968438 6.99552572 0.41246887 0.15899190 -0.42714756 Ni 5.18798978 5.22306309 6.96974391 0.47280277 -0.08966928 -0.25361412 Ni 5.23722205 3.44646362 8.70141527 -0.15588911 0.32252209 0.21809351 Ni 3.44902803 5.23846100 8.69976829 0.24572858 -0.10049951 0.51560277 Ni 6.97266276 3.45889006 6.94366908 -0.20308119 0.28319803 0.32642171 Ni 8.71190095 5.20274306 6.95956908 0.33466212 0.19891105 -0.08605620 Ni 8.70704849 3.49468988 8.69909956 -0.22376680 -0.18717060 -0.08918315 Ni 6.98791445 5.21661186 8.68440786 -0.20764655 -0.07511362 0.27360511 Ni 0.01951898 6.93372057 6.95047981 -0.45309831 0.39776587 0.30803077 Ni 1.71734957 8.68128742 6.94576273 0.08566211 0.50804084 0.17542138 Ni 1.72847708 6.98679863 8.73134082 -0.09629867 -0.22777251 0.16263509 Ni 0.02250930 8.67301161 8.73152168 0.41247945 -0.44246126 -0.56802604 Ni 3.45939409 6.93692002 6.94434861 0.08758388 0.34653408 0.14635182 Ni 5.19816631 8.67897882 6.96066635 0.07946414 0.39680130 0.07547996 Ni 5.24267875 6.94357703 8.66882428 -0.18746108 0.16138878 0.51700828 Ni 3.44537654 8.68144681 8.68015797 0.16054078 -0.14069863 -0.12600755 Ni 6.98161464 6.97873063 6.96261338 -0.22228004 -0.12172470 -0.13963727 Ni 8.70970762 8.71096287 6.98097976 -0.37827159 -0.21952255 -0.14602837 Ni 8.69578478 6.96004197 8.66828771 -0.14387715 0.05971940 -0.08251207 Ni 6.94866034 8.70781833 8.70814323 0.05180806 -0.29124283 -0.33652321