864 Lattice="21.057695388793945 0.0 0.0 0.0 21.057695388793945 0.0 0.0 0.0 21.057695388793945" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2503.3697453953505 stress="-0.0031850250206680772 -0.001208571815320565 0.0019369097465659014 -0.001208571815320565 -0.0035085380797575593 -0.0002675015446002141 0.0019369097465659014 -0.0002675015446002141 -0.004008424969343146" pbc="F F F" Ni 0.00142600 0.00991722 0.00716589 0.69809410 0.61982849 0.86690146 H 1.74489887 1.73290306 0.00408295 -0.15421163 -0.24138159 0.11981281 H 1.76197852 0.03274085 1.74179585 -0.09915075 -0.07813116 -0.12387439 Ni 0.01288132 1.72529685 1.74047099 1.08332841 0.36401712 0.20770190 Ni 3.48620683 0.02752670 0.01565798 -0.41727050 0.70336399 1.01196104 H 5.24610006 1.72132561 0.05164971 -0.10017736 -0.34788601 0.14259491 Al 5.27101114 0.00135329 1.73983446 -0.61551373 -1.00863376 -0.57583735 H 3.44346729 1.81632469 1.77810749 -0.03121779 -0.10268872 -0.02893196 H 6.98779155 0.06297130 0.03449319 0.11692882 0.19731876 0.10447193 Ni 8.78324399 1.70994776 0.02212359 -0.14354137 0.01252173 0.47589773 H 8.77797065 0.04857429 1.70832152 0.08116674 -0.05265533 -0.14841813 Al 7.02914587 1.75020574 1.75354502 -0.11682077 0.60018275 -2.13029888 Ni 10.53677709 0.02031227 0.03678895 -0.40766332 0.10124362 0.24129006 Al 12.29512128 1.70851092 0.00647953 -0.33140829 0.19414231 -2.47948094 Al 12.27095634 0.01318240 1.74690981 0.65140168 -2.40366997 0.99906460 Al 10.49904782 1.75954660 1.75535897 -1.24098860 -0.71372499 -0.95266213 Ni 14.02172941 0.03251898 0.00323837 0.71974621 0.13218202 0.40279449 Ni 15.79547687 1.78356079 0.04313118 -0.52847779 -0.40936211 -0.21574289 Ni 15.80834216 0.01465972 1.74546750 -0.32041412 0.00743240 0.00723105 Ni 14.03054121 1.74638733 1.79481404 0.39470004 -0.15794922 -0.04303262 Al 17.57999804 0.01547286 0.00924528 -0.85397067 -1.32675125 -0.61590625 Al 19.30315557 1.75565690 0.01936147 1.32724373 0.18916750 -0.00147684 Ni 19.31117435 0.00924160 1.78054233 -0.40683367 0.24904354 0.47085098 Al 17.54127959 1.75931135 1.73869316 0.48449875 -0.45950639 0.68980050 H 0.04586731 3.50763237 0.00656692 0.18577076 0.13693277 0.29885296 Ni 1.81068952 5.23174931 0.01276578 -0.48902049 0.31832299 0.57446731 Ni 1.76298602 3.53547685 1.77380356 -0.30142374 -0.67485425 0.46495475 Ni 0.02263166 5.24214314 1.81790523 1.04749406 0.30394111 -0.00592586 H 3.52779610 3.54239403 0.02581885 -0.45684847 0.36147928 0.17840156 H 5.27370065 5.27200523 0.01689897 0.04981066 0.12808753 0.02467748 H 5.28931921 3.48367404 1.76577997 0.15777717 0.10442582 0.08891695 Al 3.48695304 5.25599263 1.74942180 -0.46283914 -0.56563579 0.58470131 H 7.07972420 3.49121832 0.03452427 0.27613015 -0.03835932 0.04148684 Al 8.83991888 5.29787833 0.02056099 -0.39669975 -1.49704693 0.98141198 Ni 8.77597780 3.47515566 1.72721987 -0.11741536 1.00367681 -0.61986440 Ni 6.97205861 5.29921794 1.76997823 0.33701416 -0.70396378 0.05094620 H 10.56232557 3.49486612 0.00557957 -0.18818497 -0.07644970 -0.12824856 H 12.26215881 5.31207208 0.00111808 0.09881593 -0.02412844 -0.14367504 Al 12.24990940 3.51542884 1.78273483 -0.17111460 1.42538427 -0.65440342 H 10.53134467 5.22822197 1.79917271 -0.07154712 0.08455501 0.12180720 Al 13.97318415 3.53963586 0.03371467 0.40273587 -0.48076073 -1.62813281 Al 15.76330260 5.23191134 0.00986216 0.64099226 -0.59240806 -1.02566151 Ni 15.75293446 3.49977469 1.77877195 0.33088033 0.42508005 0.40402862 Ni 13.98723143 5.21679672 1.75259132 0.48528421 0.35608511 0.38006435 Al 17.57131613 3.52587627 0.02501663 0.23796620 0.64048401 -0.77040122 Ni 19.29411450 5.22105058 0.00926272 -0.39292285 0.22571235 0.63646115 H 19.30048277 3.48247615 1.74918478 0.18872866 -0.03218375 -0.04004904 H 17.57822902 5.23535649 1.80403806 0.05350854 0.10955362 -0.07575487 Al 0.02269052 7.00835803 0.00804240 0.30006603 -0.67772837 0.76831612 Al 1.75584391 8.77879414 0.02729456 -0.46339863 0.48128396 -0.86354979 H 1.74428159 7.02811938 1.78085300 -0.13130242 0.01414049 -0.24027241 Ni 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15.73248498 8.77634470 0.03231995 0.41774473 1.93860767 -2.35296537 Al 15.80508151 7.01697618 1.78622449 0.29037403 -1.24671568 2.07281081 Ni 14.03599162 8.74210810 1.72372894 0.08880515 1.03796968 1.13737287 Al 17.56056639 6.98920194 0.02820974 0.72906828 -1.28956521 -2.23625611 Al 19.31101246 8.76320109 0.00634545 0.69115609 1.12364073 -0.46499635 Al 19.32246970 6.99306122 1.78251866 1.42563105 -2.01497062 0.57732142 Al 17.53336118 8.75928011 1.73752482 -0.43499803 2.40389823 1.13437401 Ni 0.00232772 10.51452286 0.01922478 0.70167033 -0.11781557 0.88333901 Al 1.76754995 12.28488084 0.02393488 -0.22070257 -0.67669654 -0.86753288 H 1.76659237 10.52741600 1.73780411 0.03585864 0.09212190 -0.13003208 Al 0.02195591 12.30472248 1.76849170 -0.13334717 -0.51937232 0.63499243 Ni 3.50758502 10.56625700 0.00456756 -0.04111409 -0.04004817 0.61059599 H 5.20957072 12.27628091 0.01704055 -0.29614518 -0.08197740 0.00071149 H 5.24662433 10.49402528 1.69901920 -0.23811500 0.12724479 -0.10845503 Ni 3.53334627 12.22255622 1.71547807 -0.10879488 0.23435948 0.01569583 H 7.04662332 10.52894819 0.04711948 0.07213061 0.09789978 -0.04888939 Al 8.71441217 12.25658538 0.01574836 0.44665323 0.92081883 -1.26129418 Al 8.79440990 10.50605386 1.72854423 -0.34525619 -2.18616725 0.54719302 Al 7.04554073 12.28070160 1.76027156 -1.39926974 -0.11880700 -0.62218358 H 10.56589769 10.51001992 0.04674220 0.01277455 -0.04121159 -0.01376696 Al 12.28454088 12.29460285 0.01309047 -0.46535619 -0.38683902 -1.04829619 Ni 12.31872964 10.54462326 1.77267163 -0.63706558 -0.86686871 -0.83536838 Al 10.54100455 12.28559580 1.73405798 -0.25559751 1.50388735 0.47086386 Ni 14.06449586 10.55116071 0.02283984 -0.44551337 -0.19582529 -0.16408752 Al 15.83502269 12.28510301 0.02365081 0.03013688 -0.02181233 -1.06563620 Ni 15.78142471 10.54259606 1.73572458 0.45503943 -0.70211442 0.56005747 Ni 14.02186015 12.26223021 1.76571678 0.68296478 1.12710832 -0.05460404 H 17.50818612 10.53804822 0.05456159 0.02559264 -0.03770568 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