108 Lattice="10.405585081916708 0.0 0.0 0.0 10.405585081916708 0.0 0.0 0.0 10.405585081916708" Properties=species:S:1:pos:R:3:forces:R:3 energy=-283.88899690153477 stress="-0.003292506362009289 0.009669281053741197 0.008289246781717673 0.009669281053741197 -0.0014294224741945956 0.003190344792386788 0.008289246781717673 0.003190344792386788 -0.0013938535423721778" pbc="F F F" Ni 0.00193439 0.01461938 0.00112856 0.92163485 0.97138159 0.48951829 Al 1.75487039 1.74747384 0.02379693 -0.76901945 0.71556548 0.43969229 H 1.76632836 0.06234582 1.73244975 0.09443841 -0.01713025 -0.18453822 H 0.01131030 1.70516755 1.70138876 -0.04335083 -0.04000835 -0.53886591 Al 3.43806814 0.00722831 0.01204489 0.06645865 -0.50063170 0.47646729 Al 5.22212342 1.73212947 0.02334786 -0.60565444 0.50208229 -1.00365442 H 5.18213084 0.04652663 1.72396561 -0.07050689 -0.08995070 -0.14224708 Ni 3.45862866 1.74310654 1.74864314 -0.41799929 0.12968255 -0.57804116 Ni 6.94129417 0.01015542 0.00121015 0.07962561 0.33266083 0.72980595 H 8.67122001 1.70098540 0.03557938 -0.11835895 -0.12015560 0.15499832 Ni 8.67364145 0.01671893 1.75056627 -0.64893053 0.80827277 -0.25999615 Al 6.92642953 1.70625825 1.74116931 1.41757414 1.08230386 -0.61086348 Ni 0.03190725 3.49392178 0.00876135 0.93766457 -0.35190766 0.94578419 H 1.73667212 5.17487848 0.02650976 -0.21017459 0.00331215 -0.06082264 H 1.70566038 3.51058419 1.69207587 -0.22860309 0.11466546 -0.05740702 Ni 0.01560039 5.16413220 1.72222619 0.96336032 0.08295569 0.04737614 H 3.44971440 3.50216886 0.02990411 0.04988848 -0.17114117 -0.13247557 Al 5.17678684 5.20434438 0.04168402 1.33569210 -0.21696910 -0.26802714 H 5.18279934 3.45233621 1.77402254 0.05146806 -0.13034866 -0.12043191 Al 3.47090323 5.20134529 1.72911636 0.17785987 -1.53903041 -0.70203029 Ni 6.91082125 3.46732933 0.01312047 0.36071476 0.37492980 0.83937286 Al 8.69480015 5.17458523 0.01192982 -0.52991547 -0.51194269 -0.42894137 Ni 8.65582980 3.46949262 1.76576407 -0.61289722 -0.42020697 -0.27826264 H 6.95130022 5.16930060 1.74367814 0.23798180 -0.27905732 -0.17710195 H 0.03302017 6.89507178 0.01514801 -0.00443977 0.01619564 0.19088069 Al 1.74123103 8.67636295 0.00749949 0.67164941 0.00452625 -0.51750199 Al 1.74323137 6.97028072 1.71540081 -1.37641084 -1.10768076 -0.90486484 Al 0.02804223 8.66825003 1.74513656 -1.13215701 0.02382272 0.20683002 Ni 3.49493776 6.90469574 0.02731142 0.09469295 1.03861160 0.30809928 H 5.20856795 8.66773386 0.02494937 0.10593309 -0.25002426 -0.04755655 H 5.22694048 6.92320709 1.75499709 -0.03037048 0.13262225 -0.19124656 H 3.43914954 8.69897609 1.76550835 0.03426279 0.11232039 0.01450455 Ni 6.91199206 6.94805449 0.01116133 -0.38567413 -0.27491531 0.37516077 Al 8.68375099 8.66871152 0.00048933 0.03472348 -0.10215844 -0.39459927 Al 8.65241919 6.89168432 1.74852168 1.76892810 0.35019480 -0.91833607 Al 6.90883831 8.69890710 1.76607316 -1.29385961 1.43075485 -0.68610317 H 0.01995807 0.00985218 3.48116027 0.41520059 0.35855165 0.68660204 H 1.73195566 1.78273903 3.46034871 0.10400420 -0.16139206 0.16132375 Ni 1.75656936 0.02393329 5.24939290 -0.60550314 0.58218909 0.03319640 Ni 0.00160400 1.75597173 5.20394073 1.43226752 0.18131189 0.23396445 Al 3.49625897 0.02654891 3.48395850 -2.02600743 -1.46739251 -1.10833279 Al 5.19139804 1.74091272 3.44706947 0.39375221 0.92587842 -1.02729022 Al 5.20173730 0.00865093 5.23641238 0.26018672 -1.82976092 2.03208770 Ni 3.43392348 1.75932497 5.21918024 -1.10706778 -0.00869357 -0.03442113 Al 6.92003591 0.01529924 3.47174581 1.67240959 -1.81347977 -0.18618995 H 8.67015197 1.76073832 3.43812107 0.01517229 0.01508748 -0.21063762 H 8.67446088 0.03280868 5.19785793 -0.30170683 0.36328703 0.07546608 Ni 6.94504567 1.69896765 5.20720128 1.28622950 0.23568650 0.37224129 H 0.00933034 3.48772138 3.45276356 -0.07943474 0.33843162 0.12284616 Ni 1.71317399 5.22399853 3.47419682 -0.84908099 -0.23085011 0.67167583 H 1.74981642 3.42594394 5.22959255 -0.26089707 -0.16894620 0.11782320 Ni 0.00673101 5.19973071 5.17834792 0.97752841 0.27680852 0.14728303 Al 3.49992753 3.48430530 3.49706212 -1.94255282 0.61332573 -0.29471505 H 5.18148061 5.17917630 3.43423057 0.16878049 0.00821092 0.20001327 Al 5.22126356 3.48297524 5.20225327 0.31512961 0.62432655 -1.13383325 H 3.48882593 5.25069210 5.18084752 0.06305311 0.10807875 -0.07903296 Ni 6.93756592 3.52631440 3.49157898 -0.12354772 0.03506399 -0.62503982 Al 8.70306995 5.23116131 3.43929010 1.18457051 -1.85629678 1.08011631 H 8.63155221 3.46268392 5.16193105 -0.10308074 -0.07261614 -0.04092022 Ni 6.96613447 5.21949216 5.22710450 0.51520264 0.66040757 0.55108209 H 0.03800784 6.94228289 3.48644676 -0.07191197 -0.15167824 0.06651742 Al 1.73960932 8.67981831 3.49976587 0.03151297 0.89701441 1.22961810 H 1.73590501 6.98259850 5.16725434 -0.33363412 -0.02325457 0.04400783 Ni 0.01298508 8.66608935 5.19264123 0.38580652 -1.11567150 0.15731511 Al 3.47278925 6.91611807 3.43648761 1.48418271 0.47399786 1.74425963 Ni 5.20873133 8.67081380 3.46895589 -0.34077301 -0.32107541 0.38903899 Ni 5.17131379 6.87930526 5.22905570 0.69565866 0.38399165 -0.37109989 H 3.49721132 8.68627602 5.18700466 0.28306689 0.07341196 -0.00336403 Al 6.95306126 6.90507299 3.46627568 -2.59568431 -0.63390855 0.33157794 Ni 8.67251405 8.68261764 3.46128006 -0.05982660 -0.01054470 0.43773275 Ni 8.64255942 6.95570888 5.19679155 -0.19176842 0.26699665 1.20307624 Ni 6.91949190 8.62239954 5.19490170 0.00301776 -0.08806900 0.86519536 H 0.02990481 0.01317882 6.94801666 0.40856127 0.37945774 -0.45712542 Ni 1.72114458 1.70670482 6.95750373 -0.92810108 -0.36355668 -0.24987508 H 1.75357785 0.01128722 8.65762577 0.35783878 0.27057344 -0.39186206 H 0.00195129 1.70258422 8.65868451 0.28609556 0.32115655 -0.32994311 Ni 3.46615628 0.03028369 6.95092278 -0.31275069 -0.17977837 0.02065276 Ni 5.22343935 1.70703483 6.95424482 1.12050814 -0.90453028 0.36963547 H 5.23278204 0.01816830 8.67861059 -0.32670367 0.24261289 -0.33775151 Al 3.51086348 1.71021083 8.66734728 -0.41922776 -2.45394138 1.55047099 H 6.91105677 0.01924533 6.89996632 0.03827013 0.22569128 -0.12953099 Ni 8.64307822 1.75492323 6.96817316 -1.02129019 -0.61087281 0.51022657 H 8.68025875 0.00273393 8.69335745 -0.16576363 1.23105553 -0.96990656 H 6.93150928 1.68342881 8.63746839 0.18253104 0.11692114 -0.08960873 Ni 0.00360773 3.50094165 6.90456718 0.82417552 0.16270619 -0.40706543 H 1.70954909 5.20734546 6.96955294 -0.35612359 0.10826401 0.10435367 Al 1.75660931 3.45261365 8.67389710 -2.01280701 -0.38278104 0.88627379 Al 0.01004438 5.23706885 8.67543830 -0.37037095 0.47091871 -0.52636973 Al 3.47901376 3.46539285 6.92365896 -2.63537232 0.24907340 -2.39784073 Al 5.20860103 5.19827453 6.92775257 1.28128537 2.51068375 -0.71170968 Al 5.22634299 3.44541384 8.65901335 1.89774927 -0.50300873 3.13232169 Al 3.45615212 5.23569896 8.67797946 -0.68746112 1.16386963 2.46360790 Al 6.95938727 3.49907879 6.90558318 2.95051952 -1.05055481 0.11018399 H 8.68007058 5.22943258 6.94348394 0.00599742 -0.01561900 0.10183323 Ni 8.66116913 3.47666253 8.65075875 -0.59202388 -0.05428163 -0.53537812 Ni 6.95576306 5.23501716 8.60591698 0.62429084 0.85598870 -0.17377237 Ni 0.01516428 6.92538635 6.91918166 0.53381968 -0.52193117 -0.44808785 Al 1.73887741 8.69263335 6.95857628 0.41416022 0.70469670 -1.00150058 Ni 1.73452254 6.94198541 8.67905920 -0.20687847 -0.02785562 -0.15380619 Al 0.01222961 8.63734201 8.63013565 -0.49338915 -0.50899320 0.15213998 Al 3.48232372 6.93836805 6.92720427 -1.20291865 0.79613855 -1.18256483 Ni 5.18364396 8.68530327 6.93167312 0.66566159 -0.49127325 -0.24806363 Ni 5.23666804 6.95408505 8.67439983 0.62698861 0.39962902 -0.30936922 H 3.45326316 8.69390983 8.65420520 0.08690583 -0.08108026 -0.03951907 H 6.91924272 6.95257504 6.92764030 -0.05758306 0.17739993 -0.09260689 Ni 8.66359758 8.66381118 6.92900136 -1.07217086 -0.86476889 -0.28351805 Al 8.67438606 6.93085460 8.67271136 -0.55993908 -0.57570952 -0.92889232 Al 6.94555092 8.69929423 8.67276423 -0.50496767 -0.36833032 -0.85979121