64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-54.04667433277224 stress="-0.00030057221346545834 -1.6204455532894605e-05 -4.863897652048833e-05 -1.6204455532894605e-05 -0.0003338074815526497 0.0001906384895180995 -4.863897652048833e-05 0.0001906384895180995 -0.00033330517929963834" pbc="F F F" H 34.93400264 35.23430707 34.98553857 0.58921869 0.34600081 0.50454695 Al 36.50449630 36.02914365 36.27764052 -8.23460319 4.03797646 -4.65539877 Ni 37.20438412 37.49072582 35.31788400 2.93526178 5.93682405 -2.81378141 Al 39.21832332 38.96596568 36.02248913 -14.21000429 -3.27154657 5.47928743 Ni 37.11288736 34.85610097 37.32157351 5.32590489 -8.54904912 8.66822736 Al 39.01283273 35.53012730 39.08694297 -12.60786466 2.16042127 -19.57993880 Ni 34.71933619 37.86974818 37.55902097 1.10608652 -0.00523521 -0.55260058 Ni 36.46644921 38.39796000 38.88297252 -1.80092454 4.98876002 -4.76337468 H 40.29796461 34.86946418 35.32787424 -0.70731303 0.99257705 0.80447291 H 40.84268482 36.68304280 36.19284008 0.01981211 -0.39405134 -0.23389868 H 43.23745690 38.18887600 34.92686398 -0.74769841 0.89160238 1.11861397 H 42.94821732 38.76518264 36.65577922 0.15746376 -0.65117058 -0.95835990 H 42.60267717 35.05270631 37.79858401 0.18504673 0.66093746 0.73349376 Al 43.77380287 36.44904109 39.12446449 3.01550281 -1.92600784 -4.51776409 Al 39.59709723 37.85656927 37.09074508 4.74903810 -13.91437789 13.59292617 H 41.40020781 38.57197086 39.26103709 0.33935985 -0.02712970 -0.19671339 H 34.69831353 39.16889351 35.62901152 0.30155872 -0.34994240 0.66347884 Al 36.74586757 41.09164599 36.37745824 -10.85864496 2.60654708 -8.51056739 Ni 37.04074023 42.54656758 35.19739140 1.38727853 5.28958657 -3.72003410 Al 39.06524565 43.65068273 36.02054782 -3.16547809 5.61368421 -9.98388592 Al 37.58916311 40.33540718 37.54479692 3.08712875 -11.74837356 10.63367463 Ni 39.06462615 41.20931323 38.37867540 5.36971057 0.35757431 5.18398657 Ni 35.38906298 42.73034677 37.89354687 -6.62128718 -13.78382722 -10.77602256 Al 36.00321900 43.83350791 38.76665336 7.95291356 13.00969942 10.61072309 Ni 39.69991612 39.76111682 35.11797967 8.84130664 15.75470424 -19.43155184 Ni 41.10845941 41.11223586 35.99196566 -6.23943996 -3.95469083 7.07318945 Al 42.33079208 42.02859373 35.07834032 6.22470818 4.47213587 -5.78416242 Ni 43.50216036 43.24874497 36.52934813 -0.16970392 -0.18047304 1.32991076 Al 42.83155308 40.14778062 37.89900398 -15.16158530 -10.31986030 -5.40492720 Al 44.04657598 41.03480420 38.36709826 13.89734873 10.77559886 5.49837095 Ni 39.54911984 42.81854688 37.45500973 4.51123035 -3.47053426 8.27127624 Al 41.08464508 43.19682336 39.27967491 -0.88274703 -0.46384995 -0.38197491 H 34.86831739 35.32566099 40.24269127 -0.03279410 -0.00376910 -0.05784250 Al 36.15703144 36.32450207 41.59781845 0.28844272 0.53216229 -18.32200558 Ni 37.34033109 37.16179426 39.54834424 3.85698490 -4.93396874 3.19884486 Ni 38.60178356 39.24431004 41.60739331 5.89707035 1.17152378 -8.45149656 Ni 37.22044923 35.49305680 42.00110101 18.75464918 -13.56651822 6.38128647 H 38.76868829 36.37770877 44.03738903 -0.16606776 -0.39188405 0.49875368 Al 35.15087933 37.07520199 42.20992603 -18.33120109 14.23969206 10.87862595 H 36.52575586 38.84567143 43.22912691 -2.97164337 -1.62369336 1.75060761 Al 39.83989087 35.37570996 40.30085121 11.53446571 -2.93026158 18.31695735 Ni 41.51455408 36.41428625 41.39065393 -12.34998316 -7.82000115 13.56418764 Al 42.53555097 37.09731183 40.48994080 5.69702292 3.70098351 -9.32440169 Ni 43.35904528 38.70368829 40.86391817 3.05810241 7.46196694 1.87428284 H 42.10064720 35.61076665 43.44174347 0.48843232 0.61915856 -0.57937087 H 43.38688655 36.16789651 43.46267122 -1.04224231 -0.05673155 -0.43245751 Al 39.29362246 37.49781074 42.67968146 0.65995525 -1.88380644 0.19135346 Ni 41.04777737 38.42960321 43.93056626 0.32434973 0.62719653 -1.19453433 Ni 35.33757861 39.21208324 40.32670046 -0.44852561 0.63429246 1.74452404 H 35.95272274 41.95979349 41.35782915 0.17766367 -0.06260569 -0.09057555 Al 38.04751344 41.81054941 40.56642021 0.21787772 -0.73035805 -0.09990697 H 39.17917385 44.00806190 40.85724718 0.03193125 -0.41999981 -0.20763797 Ni 37.51293816 39.42282301 42.67824213 -4.03937580 2.45983518 3.98681467 Al 38.95188125 40.79485707 43.89766022 0.54071433 -0.09836823 -0.71707574 H 35.03424699 43.13363826 42.75470771 -0.02248049 0.00534288 0.00390484 Al 36.24668153 43.79482308 43.66533587 0.44942240 -0.37570956 -0.32668163 Ni 40.20401454 39.32245051 39.59864303 -0.60392419 0.18419148 0.11157422 H 41.22435652 41.29249666 41.99716835 -0.19180324 -0.06267741 -0.08777431 H 42.48656085 42.21678532 39.74203932 0.52042525 -0.30858317 0.25181634 Al 43.23776966 44.18330680 41.65166668 -0.55239895 -0.74960057 0.32723558 H 42.20808216 39.32931997 42.68792180 -0.03881227 -0.25932305 0.11610245 H 44.00404739 41.48418168 43.52228450 -0.55934592 0.26069376 -0.57502450 H 39.82187920 42.86398419 42.56728273 0.24209738 0.31733486 0.36082190 Ni 40.74169686 43.99124981 43.69942736 0.02240604 -0.82102481 -0.99213061