32 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=3332.33002528 stress="-661.4414996208227 3.952541208448549 -460.23080185876444 3.952541208448549 120.79007066467396 487.96585838529023 -460.23080185876444 487.96585838529023 128.2524681798113" pbc="F F F" Ni -0.11090311 0.13714415 0.07420351 124.53631193 55.91172500 -146.75395359 Ni 1.61543713 1.06703166 0.13708343 -213.88498917 69.23610271 -122.54310825 Ni 1.06120567 -0.10654689 1.38687053 -242.72812817 -318.39657572 451.37318961 Ni -0.02117016 1.22221844 1.22919618 -126.05522090 117.68240760 85.12486803 Ni 2.87472952 0.24082058 0.21260583 92.08112576 -82.21814526 -12.35378994 Ni 4.54957468 1.31036064 -0.13367187 -27.97193644 22.44731705 2.45272024 Ni 4.53426717 0.36579486 1.54083270 149.39223478 -270.52038431 -108.34521764 Ni 3.29405669 1.90529044 1.50197860 -214.28836944 -225.02666791 207.45206581 Ni 0.32240119 3.08960116 0.00891261 -12.19941869 -103.28953567 -81.05251759 Ni 1.76984881 4.19452875 0.31731314 -59.17324714 70.83738155 -17.14605354 Ni 1.35274046 2.94618724 1.45129871 55.02821491 18.51341688 40.12562107 Ni -0.14238690 4.26191818 1.23139277 17.70184056 19.82053303 60.42028700 Ni 2.97397926 3.39709411 0.05856940 -12074.76760679 -8491.75685698 -274.74975986 Ni 4.44551856 4.41454779 0.08205282 12155.00579537 8414.21216617 189.24327744 Ni 4.00093708 2.88305721 1.38265556 262.04333604 357.57289136 -22.11875286 Ni 2.77110217 4.04772127 1.53464743 -17.03588534 32.19290949 27.00902368 Ni 0.03418910 -0.13069618 3.29903784 -3809.04375654 4178.71891565 1881.99267148 Ni 1.46469614 1.05385008 2.69747760 365.68413776 387.29211066 67.84739227 Ni 1.19014120 0.06223992 4.10653103 7485.88167141 -3037.00453688 1042.24069195 Ni -0.09278175 1.16695697 4.49772272 -3754.66138658 -1281.17007137 -3453.15928770 Ni 3.45327072 0.06483804 3.23128169 -337.32328462 -989.52773381 -1943.35392933 Ni 4.72410666 1.26989013 2.85740876 -168.89896382 169.99186734 -46.92541895 Ni 4.45287897 -0.01481582 4.60374366 -708.65744292 1347.79950183 937.50339404 Ni 2.98330747 1.46825206 4.60065268 1046.54690414 -350.55190033 1030.85580843 Ni 0.23171545 3.18190327 2.82183498 -26405.01521971 28018.34994306 7384.84591162 Ni 1.98930781 4.30356493 2.88203743 -44.40470090 21.21340587 31.76581023 Ni 1.28220450 3.28278197 4.56210000 39765.14728868 -12109.99529333 39229.85184372 Ni 0.13362859 4.32702941 4.57034430 -13331.52144745 -15984.79421774 -46434.15690427 Ni 2.77977585 2.77297850 3.05177150 31.36575757 -29.54216674 6.61981953 Ni 4.40090875 4.35940976 2.95047441 31.76722092 27.82333379 -104.09632323 Ni 4.49858729 3.24003076 4.14161470 -5.94371295 -108.59834336 39.32513438 Ni 2.99253851 4.00713482 4.47119209 -28.60712226 52.77650036 50.70548620