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=139510.38513303795 stress="-1.5209756621943475 0.27553214416710425 0.5936833976154413 0.27553214416710425 -2.2514097410607006 -0.759073675089039 0.5936833976154413 -0.759073675089039 -1.1724596210814033" pbc="F F F" Ni 34.70946663 35.47080823 34.80096031 1.98706472 2.51133349 2.76466812 Ni 35.67660255 36.94129436 37.19732756 374370.09645846 -277107.46448821 -257930.33405134 Ni 37.16647735 37.68535754 35.02354324 -4418.73369755 -2127.75201415 -3183.01111489 Ni 38.30935902 38.23643355 35.84862450 4405.04563822 2119.81182422 3196.83651034 Ni 37.58892868 34.93574380 37.47238303 -83.23048659 -127.92901901 -76.82134007 Ni 38.51152788 36.41480136 38.34558679 -280.99925357 -129.12666478 240.99813612 Ni 34.92174819 37.50004820 37.71740887 -374360.05341645 277110.96716806 257929.46396137 Ni 36.84771068 38.15443768 39.23757351 -34274.76961867 17883.17936561 -69324.53240043 Ni 40.43734457 34.65321120 34.93399365 -0.78312861 -2.61586794 -3.10957668 Ni 41.15484992 36.04461408 36.65004523 -138.44554733 160.75089118 -35.20028185 Ni 42.33030122 37.20919518 34.91766712 1.32859082 1.78416709 1.65367590 Ni 44.01622189 38.81264265 36.55367014 2120.31065652 -2720.73364711 -531.18118600 Ni 42.41324977 34.63998718 36.99043089 142.86731888 -167.12020013 36.27044885 Ni 43.79111798 36.21392162 38.07011945 -1.23277210 6.99309465 2.76215234 Ni 39.73366990 37.52012723 37.59047216 90.30940762 -18.07089025 -480.52076041 Ni 40.60699952 38.72765947 38.62391446 239.81131829 329.88731092 285.05597213 Ni 35.04812579 39.34273434 35.61882107 2.76022194 -7.20411608 4.17719703 Ni 35.96530339 41.54801537 35.47022992 1.20687300 1.96423902 5.01429688 Ni 37.98512761 42.69440055 34.78619713 -4.38305421 -53.96620107 -81.44754482 Ni 38.14424149 43.76852926 36.49445635 -430.72447490 250.73007329 -185.07022055 Ni 36.79244958 39.95858792 37.32219702 0.11059156 -2.68084898 1.70059568 Ni 38.44878639 41.78769664 38.88992038 9292.90123426 -9095.77768423 -5121.73005308 Ni 34.64456689 42.37358842 37.87764271 -40.16321999 -38.95925958 -7.56986222 Ni 36.26066401 43.67868415 38.14227328 -12.35442243 80.12133536 -53.39210666 Ni 39.22623800 39.96114888 34.71319897 5.32040792 12.80442040 -4.12826327 Ni 41.39448525 41.48786871 35.78376086 -216284.72148993 -222023.16008802 84628.31588550 Ni 42.14565918 42.25899125 35.48983834 216269.08436793 222011.59934322 -84628.34165935 Ni 43.69275013 43.80180477 36.02710886 9.17284485 9.21618179 4.95107170 Ni 43.05929858 40.03789680 36.79353669 -2124.03289843 2719.03981873 535.00919948 Ni 43.92338972 40.85548667 39.37978285 -0.46552690 7.17929419 -5.27546390 Ni 39.56814607 43.11323959 37.37925050 442.82151417 -197.98604196 266.76859495 Ni 41.56951273 43.85985219 38.96072918 -2174.37169938 2387.85206838 -1591.54787322 Ni 34.82225668 34.83624037 39.35559903 3.29068736 3.91786932 -0.79172734 Ni 35.91561041 36.63690279 42.08747241 2210.26928441 -388657.68747033 -231791.47278828 Ni 37.38430112 37.87437473 40.32198316 34302.66182261 -17904.29474994 69322.94458485 Ni 39.49548343 38.11893095 42.03018076 -41738.26584888 46746.94442988 -20885.88963280 Ni 36.89502207 35.16805427 41.84369079 350.63095355 -518.74232153 -88.01833883 Ni 38.12738079 35.85724509 44.02405921 -1.60544043 3.91703511 -5.65150211 Ni 35.90947921 37.57063632 42.64379398 -2763.11471007 388906.00082492 231612.44818066 Ni 36.80105862 38.73290136 43.74189825 215.25787482 275.28985748 256.48916984 Ni 39.29487679 35.18586447 39.82795765 25.19006615 -33.36693181 46.78194855 Ni 41.66770603 36.09452817 41.07985396 -2214.00254331 -8666.41292746 9256.07752372 Ni 41.89787872 37.05902163 40.05787871 2116.89684635 8895.25091626 -9427.85822748 Ni 43.49106847 38.80450577 40.34100318 -2.95085695 -5.79013386 4.01583753 Ni 42.28499163 34.62407482 42.07130788 83.09938772 -246.40865219 137.97836327 Ni 43.44860650 35.53371844 43.67894564 13.31801175 13.13974902 19.06364626 Ni 40.29092439 37.22746555 42.42857254 41720.51525034 -46756.66632841 20908.56976585 Ni 41.70630640 38.83462551 43.84358135 -1119.21860708 -1090.04390469 2637.80726041 Ni 35.08895448 39.42529692 39.27351041 -20.57662098 19.18098639 -0.73916749 Ni 36.54431458 41.62449790 40.87209458 -33.48427367 -40.29355702 49.85771333 Ni 37.50566831 42.70910781 39.40983399 -14367.55034078 1516.38389688 -3478.76896586 Ni 38.09298567 43.56836483 40.38859383 5166.04550904 7559.93657348 8612.78373413 Ni 38.22165298 40.49755811 42.23803806 -25.34830676 -46.91912361 -69.07746580 Ni 38.88155397 41.55209594 43.85790120 19.30210384 39.45766170 76.68396582 Ni 34.58268733 42.78555101 41.78801051 -24.65818124 -21.93487185 -33.88674586 Ni 35.73580637 43.76892553 43.27075279 26.87603817 20.42003660 31.31936218 Ni 40.06824913 39.82499763 40.79568683 -522.22236777 -1121.73489022 19.41734690 Ni 40.78337734 41.36203546 40.74942099 629.06353569 943.82927715 -376.52098583 Ni 42.51632123 42.81799160 39.65423850 1878.44668293 -2586.73277425 1335.77777433 Ni 43.74591256 43.63855510 40.73467721 289.05265858 192.22943003 255.25313644 Ni 42.28432467 39.39858165 42.47599690 1111.76369315 1090.27812523 -2646.27369046 Ni 43.69535425 41.59541637 43.51100664 -4.07173793 -1.22198378 -2.49354373 Ni 40.33865917 42.25885611 42.29268941 -123.36796006 154.73686631 266.56948911 Ni 41.17094410 43.36753750 43.80070348 33.08758729 41.49218711 59.07537103