108 Lattice="7.675556393032821 0.0 0.0 0.0 7.675556393032821 0.0 0.0 0.0 7.675556393032821" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3404.2961136128133 stress="-3.2199853127743925 -0.22108918208220074 0.0748599873559735 -0.22108918208220074 -3.7159661772257446 -0.045764425035484925 0.0748599873559735 -0.045764425035484925 -3.303498564702383" free_energy=-3404.2961136128133 pbc="F F F" Ni 0.03810009 0.02076303 0.02977320 23.98461988 22.14496408 23.55032099 Ni 1.26445921 1.27724353 0.02318911 85.21977627 82.06166518 -108.44727098 Ni 1.29274516 0.00973464 1.29386496 88.67418401 -109.22644008 82.73025912 Ni 0.00990891 1.30446515 1.29236027 -110.91120507 92.00560535 83.61529844 Ni 2.55816598 0.00483264 0.01234784 14.31314827 -36.90901449 -31.45662573 Ni 3.86393217 1.27006251 0.00895507 15.42579049 103.96767964 -74.95439598 Ni 3.81153255 0.01292334 1.29466521 17.53979694 -74.84534912 91.74985282 Ni 2.56463193 1.31007413 1.29425788 -72.10526683 -17.57311000 2.05735049 Ni 5.09165577 0.03365277 0.00246662 -70.33051610 -20.15520363 -22.62863310 Ni 6.40542996 1.27181517 0.00608780 1.29285368 82.38899253 -0.22709110 Ni 6.37540930 0.01735464 1.26807755 15.14273291 -13.03121315 76.56021392 Ni 5.10084664 1.25624337 1.28005849 -38.07955073 91.36196552 52.24916889 Ni 0.02298611 2.59120023 0.00254066 -51.46978803 17.50617245 -44.92549500 Ni 1.28573423 3.82580282 0.02330758 103.45573927 25.60188434 -71.80198568 Ni 1.26001507 2.56536414 1.26241453 93.10892960 -31.70363398 80.12282540 Ni 0.00692665 3.87503831 1.26157529 -79.48356181 2.83991258 114.58880412 Ni 2.55018189 2.52578954 0.00707875 -5.16141649 6.82025814 -108.01076920 Ni 3.86368741 3.81245491 0.01580357 4.05720273 33.60610762 -116.09053099 Ni 3.83259738 2.58320758 1.28875795 113.26223088 -178.76264511 -74.61490846 Ni 2.54808382 3.85402745 1.26268723 -27.34020842 54.00613585 67.40688013 Ni 5.10860055 2.56166380 0.01894934 -81.99632608 -15.57528921 -79.74283045 Ni 6.37523786 3.84948852 0.01531813 37.75998983 -21.92392930 -38.32350508 Ni 6.39082582 2.58145822 1.30240114 69.30218071 -11.45138640 78.36047072 Ni 5.11010427 3.82242899 1.26382895 -30.96401608 89.44272787 96.16902830 Ni 0.02657170 5.10271266 0.04724574 -33.18944427 -73.16324015 -35.64230630 Ni 1.27852417 6.35980208 0.02108484 77.96555478 22.22732489 -18.94093856 Ni 1.26610115 5.13040985 1.30481361 81.90062261 -60.68279187 20.41190928 Ni 0.03717943 6.39562159 1.26141774 -25.78956198 31.37271120 83.43901056 Ni 2.60323957 5.10262758 0.00191681 -34.99849789 -94.31148785 -67.34016675 Ni 3.84467749 6.38023152 0.00513665 -13.18495131 33.19668503 -40.73400396 Ni 3.81384924 5.10922882 1.27579559 73.31958067 -30.36637803 48.29606031 Ni 2.55935400 6.40300348 1.28094153 -16.28506469 62.02703611 112.30101282 Ni 5.11940095 5.12138583 0.01869260 -88.47618455 -84.66470313 -90.74626503 Ni 6.39941683 6.40000072 0.01945430 -29.87162001 -29.73375750 29.03818533 Ni 6.39904318 5.12350826 1.28286015 95.55457697 -92.55704869 92.14382395 Ni 5.12924513 6.39853884 1.28897328 -86.93080901 94.96040520 86.33341206 Ni 0.01626080 0.02062856 2.54560120 -45.91390190 -37.01857169 8.22065730 Ni 1.26445759 1.28775735 2.52163412 83.57046925 53.73951339 38.74625256 Ni 1.28769874 0.01381254 3.82434458 102.25816709 -71.93510669 14.92598047 Ni 0.02067113 1.26443350 3.82194084 -70.84821200 105.20607678 20.03311351 Ni 2.53387830 0.02094114 2.55400029 -11.22275587 -107.65756239 -22.28886483 Ni 3.84369985 1.28823086 2.55427404 55.74610314 -31.23043256 -46.48957976 Ni 3.84644676 0.02101086 3.81749145 19.17091665 -108.43392090 29.29642982 Ni 2.56550793 1.29441538 3.82255753 -109.75494053 -50.58505878 127.91602654 Ni 5.09184953 0.01114207 2.57055309 -86.17931770 -84.45389675 -18.87373536 Ni 6.37317115 1.28204587 2.56110352 70.86364144 98.17271280 -2.92811933 Ni 6.37141468 0.01239002 3.83314628 46.19267767 -39.54996278 -16.26435397 Ni 5.13742285 1.26052397 3.85014143 -79.33001819 99.93817794 25.45645700 Ni 0.01085883 2.58170538 2.57296743 -112.55134320 -21.11994686 -48.79521772 Ni 1.29624039 3.84558692 2.54800429 -66.17647428 90.62056894 -66.49176045 Ni 1.26124378 2.57244096 3.84041564 91.24099499 -150.57592474 53.76438796 Ni 0.00595060 3.83962977 3.82327060 -113.28056712 35.33608017 37.78884893 Ni 2.56898342 2.54806567 2.54192197 -306.12876695 -42.80076686 -110.46978212 Ni 3.81319021 3.85758143 2.54673775 315.49509063 49.77530438 -84.40483107 Ni 3.84672114 2.53369358 3.84626376 171.14318806 -35.05770746 142.54870912 Ni 2.55831673 3.82479799 3.83462800 -183.14643015 264.60877043 205.00133628 Ni 5.12347099 2.57265082 2.57169507 -26.28039041 -128.46662878 -114.38367068 Ni 6.41633554 3.82381525 2.56693942 102.99196778 35.14272492 -17.55588257 Ni 6.39858750 2.56544487 3.84093279 104.52031282 -38.26778793 33.61202873 Ni 5.13751417 3.81305206 3.87157048 -79.08658701 166.59398926 -56.08813087 Ni 0.02027104 5.12315702 2.51951484 -68.17954325 -101.56589601 1.79758264 Ni 1.28459549 6.37552389 2.54114384 104.30941308 60.81113221 -6.19230775 Ni 1.29519344 5.12440100 3.82110862 43.98656309 -84.61646688 74.38128002 Ni 0.01600882 6.39492070 3.81128685 -30.37343174 29.02739546 -24.20403851 Ni 2.55086582 5.11155277 2.56475837 -83.75769941 76.62611296 -155.76229078 Ni 3.84303053 6.39631003 2.53833996 9.82073657 83.54627586 -4.76558148 Ni 3.82313485 5.12567412 3.81877099 144.21758905 -48.80682836 165.03457319 Ni 2.53076613 6.41165169 3.83050504 7.58148891 75.86744598 19.68547652 Ni 5.13922987 5.10847561 2.55963446 -115.25864114 -30.11269794 -35.98840894 Ni 6.38442266 6.40036703 2.55944219 31.80994571 26.75519530 24.65528544 Ni 6.38495348 5.09824076 3.83123283 62.08158559 -92.80926463 13.89758852 Ni 5.12657772 6.37575485 3.84246117 -108.94223991 60.46978082 8.08550141 Ni 0.02380514 0.02736788 5.10228500 -16.76161373 -21.44184091 -74.02243708 Ni 1.25542377 1.26054066 5.13577438 83.82688521 80.85845069 -86.47255235 Ni 1.27604024 0.01139335 6.41275736 72.58109810 -14.64712805 8.14941513 Ni 0.02485387 1.25969068 6.36942058 -20.90240023 74.83946476 16.07641684 Ni 2.59979235 0.01760646 5.11755250 -24.11257751 -63.55220102 -96.12591628 Ni 3.83958031 1.29067309 5.13381023 51.44767853 39.11786878 -107.46349459 Ni 3.81244433 0.02159216 6.42028803 -12.23704992 -28.14450689 32.02995863 Ni 2.52809565 1.28966660 6.40001561 -11.58554333 106.51387349 53.99076603 Ni 5.11132987 0.00258132 5.09860186 -85.09370741 -103.79806305 -69.07292993 Ni 6.39155223 1.29797050 5.12339258 104.24502563 78.21895996 -101.65407978 Ni 6.39574134 0.02126759 6.38850828 -26.79787361 31.76185824 -27.67350274 Ni 5.09470082 1.29467263 6.37327481 -99.11193482 81.40559107 95.92857900 Ni 0.02237911 2.56380772 5.09547322 -59.13369133 -10.64641272 -82.04947885 Ni 1.26802953 3.82637198 5.13840132 98.06513466 36.10362417 -101.10844146 Ni 1.26213329 2.56643338 6.41407289 123.41468797 0.45530749 59.20897798 Ni 0.02132174 3.84195782 6.40620761 -33.11003179 -25.14375628 35.23021827 Ni 2.56789393 2.55962832 5.10754429 -135.66567292 -88.88703918 65.05178393 Ni 3.83283100 3.82963326 5.12006312 116.95615169 90.14248296 -25.13067907 Ni 3.85590060 2.58255813 6.37570267 7.95347126 -34.01222741 91.12080680 Ni 2.57350044 3.81958758 6.39106222 -38.02167246 34.83643905 97.67167593 Ni 5.13136998 2.55984696 5.07777361 -69.79754585 -59.76481516 47.70846840 Ni 6.41128012 3.82546860 5.09312986 75.11540685 14.99606185 -83.75190228 Ni 6.36049372 2.55138118 6.38857076 39.23694336 23.29342676 38.23687939 Ni 5.12753354 3.86246039 6.37075681 -109.71517864 20.08965423 44.39248451 Ni 0.00774854 5.11939948 5.11529924 -99.33436763 -90.54969705 -101.91312455 Ni 1.27076448 6.40445067 5.12818875 93.52809212 97.60455121 -88.48986471 Ni 1.26211524 5.11013357 6.38312889 97.51960291 -89.92240997 94.53541300 Ni 0.03400569 6.40095813 6.37374931 25.52604492 -21.57535719 -22.71196275 Ni 2.56362777 5.12093474 5.13594058 -40.90394093 -81.57961412 -104.67211825 Ni 3.86926067 6.41565537 5.09424089 -1.12337277 56.48364263 -101.44942393 Ni 3.80881779 5.11476830 6.39980052 3.29726228 -94.48494945 62.17745407 Ni 2.58425870 6.40003753 6.37339274 19.85932064 20.24564916 25.74282388 Ni 5.13279982 5.11139800 5.12451438 -79.13908742 -60.42919517 -54.15473311 Ni 6.37252789 6.38916184 5.11900700 21.65064248 10.82484754 -81.27052778 Ni 6.40117485 5.12647061 6.38608487 20.27500357 -81.22411306 17.84029082 Ni 5.12383613 6.34991887 6.37584086 -77.25230176 13.93713212 14.69763180