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=-72.74001145672685 stress="-0.0015462170364980395 -1.2285091818050227e-05 -1.2303317845875092e-05 -1.2285091818050227e-05 -0.0014140556417881094 1.2440886742766493e-05 -1.2303317845875092e-05 1.2440886742766493e-05 -0.001420508520513052" free_energy=-72.74001145672685 pbc="F F F" Ni 20.70296332 20.84887301 21.22083292 -2.14418174 -1.27157418 -1.54034051 Ni 22.28984966 22.48735431 20.92299150 -2.11779849 0.62043247 -5.86512771 Ni 22.40698366 21.18107110 22.32825321 3.18708533 -4.92443316 0.76788851 Ni 21.13102478 22.44615310 22.76120756 -5.91925852 1.81686993 -2.66469683 Ni 24.03015134 21.25226748 20.96431997 -0.18449971 -3.32459694 -3.11417869 Ni 25.54396501 22.57236142 21.20379337 5.05089276 1.19703959 -3.65950295 Ni 25.73854596 20.76922180 22.28229695 0.90994482 -1.92470338 1.56195420 Ni 24.02031036 22.68745344 22.52015752 -1.07968672 -6.11076109 1.85568615 Ni 20.87970777 24.27711528 20.84834341 -3.75842709 -2.61313512 0.45389136 Ni 22.25213077 25.23125112 20.71824351 3.20747367 3.03191714 -1.26206653 Ni 22.63616082 23.76429260 22.62968218 -4.05759864 3.68172326 1.62855986 Ni 21.21980528 25.70373201 22.68543805 -2.65892400 0.79378738 -1.39319422 Ni 23.78687542 23.80377537 21.19989723 1.43459687 2.66044465 -7.39898439 Ni 25.62961200 25.37425859 21.15720406 0.80253275 0.31035992 -1.07668065 Ni 25.26564846 23.88507600 22.79768454 6.71050879 2.73641926 -2.09682861 Ni 23.98273691 25.36065667 22.67089611 -3.42661910 4.55779523 -2.44119006 Ni 20.97011124 20.70220318 23.71755886 -2.04450379 -2.90668828 2.64281837 Ni 22.35541431 22.39917148 24.26235339 3.04057962 -1.08503260 -0.42350612 Ni 22.34838096 21.21005355 25.71211731 -0.42674519 -3.87265197 2.70116536 Ni 20.94968690 22.79594673 25.65710459 -3.59824002 -0.94508388 4.02250531 Ni 23.99042854 20.85687199 23.97664413 -1.38219473 -2.66517803 -2.40838771 Ni 25.74122900 22.52201293 23.81634348 5.48385115 -3.12456030 1.57666726 Ni 25.42534241 20.98566276 25.31443107 3.78694167 -2.70777523 1.52800993 Ni 24.16412201 22.22051529 25.69273990 -1.82100353 1.29910164 3.70329143 Ni 20.80722932 23.76172667 24.05332204 -4.60325040 3.88352331 -1.54685907 Ni 22.38436473 25.73110688 23.99816022 2.49687816 2.91017993 -0.71949808 Ni 22.51283276 24.20071341 25.32858036 1.33522625 -2.93157732 3.26949468 Ni 21.14720807 25.58942344 25.45706424 -3.28701573 1.72428100 2.44419342 Ni 24.27559981 23.71321713 24.21736445 -3.46648361 1.05001998 1.77040750 Ni 25.28604778 25.70384132 23.79224623 3.55323808 3.20459790 2.52380422 Ni 25.23214964 23.95672273 25.75551247 4.01052784 0.78209594 2.87340041 Ni 23.85444624 25.49188881 25.56482696 0.96615325 4.14716294 2.28730417