64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=66.14077026048679 stress="-0.0007970746469131375 -2.220543174575317e-05 -0.00033330765955305776 -2.220543174575317e-05 -0.0008405824520139357 0.0001007752418095282 -0.00033330765955305776 0.0001007752418095282 -0.0008148180092693335" free_energy=66.14077026048679 pbc="F F F" Ni 35.22086729 34.98310996 34.77096654 -3.47977732 -2.23342117 -2.94135409 Ni 36.59933616 35.93572417 35.98055861 -6.03778868 -19.83284372 16.83230475 Ni 37.14715992 37.22516294 35.23402360 -1.39303824 8.06682206 -26.36880596 Ni 37.93229823 38.31172061 36.19084223 5.48156644 19.40658621 7.57074161 Ni 37.29465675 35.14771729 38.20399864 -9.19331077 -2.66505487 -3.56571029 Ni 38.85840215 35.76443239 39.02546443 8.35332830 7.01898584 -0.30006442 Ni 34.95577374 37.79563377 37.93187189 -0.26921659 -1.32806309 -1.24930521 Ni 36.55604684 39.07636534 38.99475015 -19.99421775 50.57940271 -28.82845251 Ni 40.78248547 35.50979054 35.01871475 -1.72009872 -1.04270700 -4.02321236 Ni 41.20935311 36.04524550 37.00114475 -5.63891776 5.17764530 1.88378630 Ni 42.56413860 37.40080582 34.86420263 -6.31348005 -5.71679135 -4.61198705 Ni 43.67982227 38.56376137 35.86736005 5.89846296 5.42298370 5.40810710 Ni 42.81964364 35.29825864 37.75344230 4.32216287 -6.14958202 0.62080091 Ni 43.94092265 36.58905321 38.94859689 19.05801767 -2.94613206 -14.72870361 Ni 39.13852573 37.20608632 37.20242380 4.35672160 -3.06393505 4.14072819 Ni 40.75858622 38.88988228 38.51999491 0.79152890 -1.59232844 -0.90242152 Ni 35.10340100 40.31298788 35.02164361 -2.71261373 -2.27245474 -1.79806720 Ni 36.63900191 41.14262195 36.24085714 -8.98242204 -16.59451442 26.81212753 Ni 37.21949456 41.99713164 35.09651729 12.04760830 16.83406810 -24.74885269 Ni 38.61643991 43.32327578 36.40123177 -34.53716885 21.92836978 -22.40807370 Ni 37.95366604 39.88968876 37.71888199 -10.95455491 -8.07013269 -8.62259338 Ni 39.18297782 40.79320854 38.39174556 15.97112407 10.61069804 8.94693398 Ni 35.34278350 42.83814538 37.63905551 -2.10723842 -9.72152335 -16.11526901 Ni 35.60366252 43.66349090 39.11824152 3.53826716 8.39301976 16.93710001 Ni 40.26176311 40.27927672 34.77599447 -1.65789834 -0.74130585 0.04513083 Ni 41.60365422 41.12475624 36.46651109 -11.22280005 13.41046715 -8.83795580 Ni 41.67119966 43.29253646 34.78221554 -1.99340203 -0.71063693 -0.27524476 Ni 43.57559210 43.55058575 36.17451505 0.62248183 -0.62318211 1.68012449 Ni 42.58087455 40.09122498 37.35935114 10.18912433 -12.70888151 10.69201942 Ni 43.97462727 41.11272182 38.87984742 0.77791282 0.14516067 1.33439837 Ni 39.66448343 42.68403127 37.11226018 34.42436924 -21.73425860 21.99911317 Ni 40.97555741 43.31914392 38.89352680 -16.74537494 5.84269377 -8.69763010 Ni 34.77045360 35.28866239 39.68786656 -0.62505604 -0.08720880 -2.14537116 Ni 36.11803101 36.09305905 41.30199494 -12.63763625 10.56192927 -7.40728039 Ni 37.00297454 37.99791377 39.62151619 20.60185000 -54.24520476 26.47128921 Ni 38.07353166 38.51894432 41.34725891 -4.66282343 -4.80841518 5.47322065 Ni 37.43970136 35.30962604 42.02044147 9.49556152 -7.72327242 9.77544075 Ni 39.08450338 35.75571598 43.58475277 -8.08371140 -22.32950118 15.72433293 Ni 34.99655912 37.96978731 42.51668654 -6.93288920 -5.13249646 -6.94652581 Ni 36.22422232 38.91950201 43.54655608 -6.72263066 -7.59001689 14.14783035 Ni 39.08532250 35.00206044 40.83625574 5.39344996 -2.96067550 3.35123371 Ni 41.48837336 36.00831489 41.43404765 -20.83802480 29.31866365 -14.22661796 Ni 42.84911873 37.01595790 40.07449325 -19.59891621 1.38579996 10.11836273 Ni 43.60556472 38.49425818 41.03735392 2.59960203 7.75135803 4.70183617 Ni 42.20384740 34.85081933 42.03810700 17.93398495 -29.73998640 15.17492402 Ni 43.75567948 35.58042468 44.03850275 -0.26866692 0.41904139 -0.27866735 Ni 39.60939942 37.00409575 42.77385137 8.90185264 23.35502226 -15.75028888 Ni 40.88981588 38.99050463 43.64455433 0.48795838 -0.26606967 -1.19100997 Ni 35.03346674 39.71662307 40.34902654 -4.96234932 -2.66485819 0.37099165 Ni 36.12753280 41.21395641 41.27609686 3.03221664 3.00837761 1.12294787 Ni 37.82350393 42.21827495 39.80335328 -8.31165499 -11.82949990 -12.07992817 Ni 38.63834321 43.28337470 40.87827378 8.26407615 11.00204150 11.03392321 Ni 37.36102597 39.94186987 42.87644269 15.28495051 14.85530562 -6.81107290 Ni 39.67171808 41.11056424 43.96640764 -1.50947911 -0.60439948 1.66781120 Ni 34.85019353 42.97085593 42.41342367 -5.52174786 -1.32432578 -4.32866876 Ni 36.40009545 43.42893138 43.60183795 6.13053016 0.84980553 3.46505343 Ni 39.60146438 39.30457994 40.50975364 5.73902424 3.04304282 -2.58192832 Ni 40.89974943 41.22892384 41.12165250 10.71969977 -26.52166330 -36.35926593 Ni 42.34497277 42.80178516 39.71375535 16.44384116 -6.57101721 10.36347671 Ni 43.84947997 43.91585207 41.75724536 -0.82880336 -0.88008879 0.12295148 Ni 42.43376557 40.85345170 42.38498733 3.03976351 -3.31311846 -0.07747931 Ni 43.66153064 41.54291660 43.96495890 1.91658300 1.65912977 2.84877052 Ni 40.39757659 42.11536967 42.13716159 -15.60281610 28.69615356 28.62867576 Ni 40.86157597 44.04079721 43.69789396 0.24290368 -0.40300673 -0.25868040