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=-60.1994404349066 stress="-0.00161019784763706 -1.1071832074537055e-05 5.287453576632745e-05 -1.1071832074537055e-05 -0.0016091656027442851 6.364535143382825e-05 5.287453576632745e-05 6.364535143382825e-05 -0.0016966028969719904" pbc="F F F" Ni 21.00082602 21.24624097 21.14302402 -4.55689524 -4.73911382 -5.34661339 Ni 22.35498893 22.31263177 21.20947124 3.30506869 4.74719160 -7.03792159 Ni 22.35512851 21.05280714 22.41333883 3.31595876 -7.93472804 3.22578844 Ni 20.84655491 22.37241235 22.32230844 -6.92709389 4.50226203 1.03005610 Ni 23.91049160 20.72286420 20.93858073 -1.53184109 -3.63654562 -3.67033592 Ni 25.25205420 22.37244668 21.05988540 3.24638982 3.03657158 -5.40072294 Ni 25.20245745 21.16431082 22.31425730 5.05293909 -3.93319612 2.74038258 Ni 23.84385496 22.43194861 22.39971974 0.40132509 3.49766326 3.02011222 Ni 20.87366136 24.22333012 20.78219307 -2.11257630 -1.50916749 -3.11352536 Ni 22.71813893 25.26716069 21.19410236 -3.64164318 5.78822550 -4.01567986 Ni 22.17934594 24.09206552 22.43300593 3.33602760 -1.95874112 -0.71919936 Ni 20.72002482 25.27696427 22.62873289 -4.89151539 4.97743048 -0.83978419 Ni 23.96512192 24.22586561 21.29391194 0.38035349 -6.07065443 -4.31231345 Ni 25.22614529 25.52103145 20.77761356 4.27676707 2.27319567 -3.81166823 Ni 25.68220204 23.84331531 22.73573857 4.68312219 -0.41922612 -2.09778467 Ni 24.32318844 25.27538150 22.20296332 -0.80032405 4.74319542 5.24234749 Ni 20.84887301 21.22083292 23.78984966 -3.16358335 -3.37191974 3.25008777 Ni 22.48735431 22.42299150 23.90698366 2.58591518 -0.06814438 2.74225034 Ni 22.68107110 20.82825321 25.63102478 -1.25854242 -0.84818214 0.80161865 Ni 21.09995250 22.76120756 25.51193751 -3.06398548 -2.51465080 2.64076870 Ni 24.25226748 20.96431997 24.04396501 -2.53445345 -3.95493316 -2.43330276 Ni 25.57236142 22.70379337 24.23854596 5.01432678 -2.64647645 -1.52618017 Ni 25.26922180 20.78229695 25.52031036 2.74979139 -2.51082678 3.17031639 Ni 24.18745344 22.52015752 25.37970777 -3.73851890 1.19212554 5.16205951 Ni 21.27711528 23.87871118 23.75213077 -5.86986471 -2.25427919 2.40087949 Ni 22.23125112 25.21824351 24.13616082 3.61580510 5.44784886 -3.27358845 Ni 22.26429260 24.12968218 25.71980528 3.93892593 -2.64063396 5.09694433 Ni 21.29977655 25.68543805 25.45460942 -3.96233286 3.60439269 2.43155156 Ni 24.07327937 24.19989723 24.12961200 -4.48656249 -1.99337316 -3.11419982 Ni 25.37425859 25.65720406 23.92275305 3.42092996 4.56745723 -0.68427152 Ni 25.38507600 24.29768454 25.48273691 4.16415457 0.34716921 5.05801734 Ni 23.85108521 25.67089611 25.47011124 -0.94806792 4.28006346 3.38391081