32 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=3332.3300252755776 stress="-0.936246872327662 0.00559468123237276 -0.6514402997637567 0.00559468123237276 0.17097404068682637 0.6906982839418255 -0.6514402997637567 0.6906982839418255 0.18153679844777423" free_energy=3332.3300252755776 pbc="F F F" Ni 20.88909689 21.13714415 21.07420351 124.53631193 55.91172500 -146.75395359 Ni 22.61543713 22.06703166 21.13708343 -213.88498917 69.23610271 -122.54310825 Ni 22.06120567 20.89345311 22.38687053 -242.72812817 -318.39657572 451.37318961 Ni 20.97882984 22.22221844 22.22919618 -126.05522090 117.68240760 85.12486803 Ni 23.87472952 21.24082058 21.21260583 92.08112576 -82.21814526 -12.35378994 Ni 25.54957468 22.31036064 20.86632813 -27.97193644 22.44731705 2.45272024 Ni 25.53426717 21.36579486 22.54083270 149.39223478 -270.52038431 -108.34521764 Ni 24.29405669 22.90529044 22.50197860 -214.28836944 -225.02666791 207.45206581 Ni 21.32240119 24.08960116 21.00891261 -12.19941869 -103.28953567 -81.05251759 Ni 22.76984881 25.19452875 21.31731314 -59.17324714 70.83738155 -17.14605354 Ni 22.35274046 23.94618724 22.45129871 55.02821491 18.51341688 40.12562107 Ni 20.85761310 25.26191818 22.23139277 17.70184056 19.82053303 60.42028700 Ni 23.97397926 24.39709411 21.05856940 -12074.76760679 -8491.75685698 -274.74975986 Ni 25.44551856 25.41454779 21.08205282 12155.00579537 8414.21216617 189.24327744 Ni 25.00093708 23.88305721 22.38265556 262.04333604 357.57289136 -22.11875286 Ni 23.77110217 25.04772127 22.53464743 -17.03588534 32.19290949 27.00902368 Ni 21.03418910 20.86930382 24.29903784 -3809.04375654 4178.71891565 1881.99267148 Ni 22.46469614 22.05385008 23.69747760 365.68413776 387.29211065 67.84739226 Ni 22.19014120 21.06223992 25.10653103 7485.88167142 -3037.00453688 1042.24069195 Ni 20.90721825 22.16695697 25.49772272 -3754.66138658 -1281.17007137 -3453.15928770 Ni 24.45327072 21.06483804 24.23128169 -337.32328462 -989.52773381 -1943.35392933 Ni 25.72410666 22.26989013 23.85740876 -168.89896382 169.99186734 -46.92541895 Ni 25.45287897 20.98518418 25.60374366 -708.65744292 1347.79950183 937.50339404 Ni 23.98330747 22.46825206 25.60065268 1046.54690414 -350.55190033 1030.85580843 Ni 21.23171545 24.18190327 23.82183498 -26405.01521973 28018.34994307 7384.84591163 Ni 22.98930781 25.30356493 23.88203743 -44.40470090 21.21340587 31.76581023 Ni 22.28220450 24.28278197 25.56210000 39765.14728870 -12109.99529334 39229.85184374 Ni 21.13362859 25.32702941 25.57034430 -13331.52144746 -15984.79421775 -46434.15690430 Ni 23.77977585 23.77297850 24.05177150 31.36575757 -29.54216674 6.61981953 Ni 25.40090875 25.35940976 23.95047441 31.76722092 27.82333379 -104.09632323 Ni 25.49858729 24.24003076 25.14161470 -5.94371295 -108.59834336 39.32513438 Ni 23.99253851 25.00713482 25.47119209 -28.60712226 52.77650036 50.70548620