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=-7.291015104051089 stress="-0.003998695609304868 0.0002906602097634343 7.949756415835275e-05 0.0002906602097634343 -0.003167012847639991 0.00018542661933906076 7.949756415835275e-05 0.00018542661933906076 -0.0036197674383154303" free_energy=-7.291015104051089 pbc="F F F" Ni 21.20070203 20.83304158 20.90085166 -5.12210122 -1.03103634 -4.95441227 Ni 22.49793547 22.78187239 21.01001192 -2.48386541 -8.73173993 -13.67664524 Ni 22.48453339 21.10170120 22.25219224 -1.04372341 -6.85924256 2.01891935 Ni 20.71904386 22.50082602 22.90344504 -22.14858933 -3.67026323 -15.42237849 Ni 24.14302402 20.85498893 21.11042859 -7.30095910 -8.07702619 -13.75438960 Ni 25.70947124 22.12077697 21.05280714 6.01239918 5.40141474 -9.10447571 Ni 25.41333883 20.84655491 22.37241235 8.48546469 -7.18523893 13.32659338 Ni 23.82230844 22.41049160 22.22286420 8.84751559 1.62396080 1.94563061 Ni 20.93858073 23.75205420 21.15488783 -13.19968268 0.56812249 -7.51543707 Ni 22.55988540 25.20245745 21.16431082 -13.79486114 21.63489993 -5.91188506 Ni 22.31425730 23.98844065 22.53277713 -1.27359744 -4.58304796 -1.70236902 Ni 20.89971974 25.37366136 22.34605274 -7.12642456 7.68979760 3.31234404 Ni 23.78219307 24.21813893 20.76716069 19.73729662 -10.01514911 -9.83524342 Ni 25.67683926 25.19162164 21.05290808 2.48093331 5.71168093 -3.62284257 Ni 25.43300593 23.72002482 22.24707551 3.95333414 3.61237694 -0.21388006 Ni 23.91661558 25.46512192 22.72586561 21.34770183 8.27405834 -15.23556138 Ni 21.29391194 20.72614529 23.72323463 -5.67658862 -7.89437159 4.11657976 Ni 21.99517241 22.68220204 23.89362841 21.66924003 -14.69286934 13.45322917 Ni 22.73573857 20.88265602 25.27538150 -6.70546582 -1.93395021 14.28466084 Ni 20.96531671 22.19725397 25.67051982 -2.29586482 -0.29132970 2.59909748 Ni 23.78984966 20.98735431 23.92299150 10.54240202 -1.43648968 -8.21882006 Ni 25.40698366 22.68107110 23.82825321 10.61612680 -7.67142997 6.66131138 Ni 25.62145332 20.95682448 25.73785168 -0.89957170 0.76727323 -0.83711189 Ni 24.01193751 22.99349649 25.46431997 5.58145075 -12.71371280 9.86256405 Ni 21.04396501 24.07236142 24.22580630 -16.33316789 11.74160573 3.15081701 Ni 22.73854596 25.26922180 23.78229695 -17.04995722 10.84263013 21.43749825 Ni 22.52031036 24.00379692 25.52015752 -6.18190398 6.06141846 8.97230244 Ni 20.80505018 25.77711528 25.36437394 0.10699612 2.24052384 1.22051401 Ni 23.75213077 23.54568219 23.71824351 3.39025868 6.44214460 1.96743930 Ni 25.67992253 25.26429260 24.12968218 3.97401532 4.03205112 -8.92717281 Ni 25.44032057 24.29977655 25.68543805 9.75821342 -7.94780126 9.04775914 Ni 24.14734933 25.57327937 25.50712655 -7.86702417 8.09073990 1.55536443