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module_06-ex07_ref.xyz
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32
Lattice="8.0 0.0 0.0 0.0 8.0 0.0 0.0 0.0 8.0" Properties=species:S:1:pos:R:3:momenta:R:3 "potential energy"=-105.81661525819456 "kinetic energy"=1.5608974331657688 pbc="T T T"
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Al 6.10500271 1.96299792 -0.07640294 -0.80869765 0.60830202 -0.35674834
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Al 5.86220254 3.92869129 6.12754428 0.91440225 -0.32120976 1.36483137
Al 3.98931193 5.93107023 5.97378113 -1.28048844 -0.74104375 -0.90648893
32
Lattice="8.0 0.0 0.0 0.0 8.0 0.0 0.0 0.0 8.0" Properties=species:S:1:pos:R:3:momenta:R:3 "potential energy"=-105.87220700895975 "kinetic energy"=1.5756374242122284 pbc="T T T"
Al -0.05820103 -0.18053672 0.02034604 -1.40647412 1.14207634 1.56305168
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Al 0.09035504 1.90278736 6.04164250 -0.55460235 -1.57888250 0.20914899
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Al 0.00973202 3.88780434 4.04859217 -0.44860418 0.81843399 -0.15907869
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Al 6.05906781 1.97986404 -0.07852698 -1.58277101 0.57850653 0.28565831
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Al 6.04290185 1.98508638 4.09202527 0.61399511 1.18898066 0.60328386
Al 5.79541516 0.07702868 6.05593743 0.58081783 -0.34277120 -0.39078179
Al 3.84699502 2.08571936 5.88378547 1.04747649 -0.64793432 0.07940073
Al 3.98389703 3.94018264 0.12688470 0.14026749 1.30746270 -1.18713248
Al 5.90933826 6.03183225 -0.13085459 -0.61217387 1.80452481 0.43651297
Al 5.94473625 4.16550796 2.18355496 -0.64239812 0.74975200 0.42858267
Al 3.96354906 6.01099697 2.12875110 1.73031673 -0.25893440 0.29267235
Al 3.89755569 4.06059365 3.94711580 0.52852265 -0.09728504 -0.69227310
Al 5.92008465 6.00127946 4.06319905 -0.50330625 0.98412284 -0.66854459
Al 5.90912833 3.91828352 6.16690586 1.61985250 0.04051376 0.83299492
Al 3.93890606 5.91319231 5.94331118 -1.30123212 -0.04212516 -0.75464766
32
Lattice="8.0 0.0 0.0 0.0 8.0 0.0 0.0 0.0 8.0" Properties=species:S:1:pos:R:3:momenta:R:3 "potential energy"=-105.97886534986046 "kinetic energy"=1.6810011620918262 pbc="T T T"
Al -0.10289270 -0.14189345 0.07556314 -0.78674540 1.13807383 1.43840125
Al 1.88800288 2.03546021 0.09586135 -0.62782149 -1.04813284 0.82094880
Al 1.80846472 -0.13376601 2.11355793 0.35384880 1.03450194 -0.53351073
Al -0.06425814 2.18440214 2.09328565 -0.59406374 -0.08679507 1.29284688
Al -0.08243359 -0.13985468 3.99056239 2.29679894 -0.72530605 -0.12749652
Al 1.85248236 1.88676095 3.97204785 -0.43378449 -0.01424258 -0.35790271
Al 1.95811527 -0.09886133 6.08719862 0.83684580 -0.34428285 -0.44251707
Al 0.05296430 1.84530182 6.03637267 -1.22680918 -1.49793386 -0.26070489
Al -0.11518006 4.01482755 0.02092931 -0.67769105 -0.10145846 1.70152834
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Al 1.88162767 4.00685856 2.10057384 -0.40019238 -0.84664057 -0.10621398
Al -0.13781635 5.90492671 1.87350290 1.26556932 -0.63251189 -1.52412950
Al -0.00696113 3.92297420 4.05187065 -0.56056032 1.33736113 0.28493292
Al 2.04918654 6.04891221 3.92688175 -0.55923236 0.60451193 0.09561764
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Al 3.97483093 0.00615331 -0.13063434 1.04238486 1.13284101 0.31913474
Al 5.99666716 1.99775678 -0.04319654 -1.86846902 0.49237721 1.13836708
Al 5.93443625 0.02638376 1.95373786 -0.71306387 -0.48652328 -0.10490433
Al 4.20654708 1.99355671 2.02801738 -0.98188900 -1.49016015 -1.83485146
Al 3.94597306 0.13753793 4.01315272 -1.08945455 1.71318471 -0.32914242
Al 6.06656056 2.03019439 4.11124748 0.37142435 1.41806006 0.84742515
Al 5.83016410 0.05948185 6.04054752 1.45883595 -0.50748817 -0.48544925
Al 3.89645901 2.06020640 5.90227470 1.53677945 -0.80483195 0.77553307
Al 3.98700147 3.98963499 0.08312424 -0.11724596 1.08920634 -1.16294188
Al 5.88016928 6.09476712 -0.10388332 -0.82454867 1.51715008 0.94459593
Al 5.92434994 4.17968076 2.17628458 -0.44293373 0.15653189 -0.57027082
Al 4.02850411 6.00652270 2.11068098 1.43942509 -0.10675147 -1.08319054
Al 3.91597897 4.04524205 3.93291425 0.57255013 -0.73873757 -0.23156889
Al 5.91636410 6.04788896 4.04643534 0.05572328 1.49997984 -0.32844427
Al 5.96293160 3.93108954 6.18385140 1.26113725 0.78166743 -0.22114684
Al 3.89949391 5.90813429 5.93110647 -0.94055913 -0.21083275 -0.11530805
32
Lattice="8.0 0.0 0.0 0.0 8.0 0.0 0.0 0.0 8.0" Properties=species:S:1:pos:R:3:momenta:R:3 "potential energy"=-106.06727072033713 "kinetic energy"=1.7413268381501577 pbc="T T T"
Al -0.12768260 -0.09301300 0.12988030 -0.37691279 1.62546759 1.23475955
Al 1.86810620 1.99377244 0.12670672 -0.37506328 -1.49426512 0.68948258
Al 1.82033575 -0.08359429 2.07521163 0.58806237 1.74639023 -1.61106638
Al -0.09643715 2.15905449 2.13092316 -1.12501886 -1.04058813 0.78921883
Al -0.01001687 -0.15420902 3.98795878 1.37956381 -0.13324751 0.04974942
Al 1.84327743 1.89113057 3.97305888 -0.05121137 0.20614734 0.09855843
Al 1.99512544 -0.12895653 6.05302189 1.15022954 -0.94632865 -1.00834898
Al 0.00633930 1.79845458 6.03329235 -1.02853088 -1.26081651 0.31072145
Al -0.13729303 4.00555898 0.07924711 -0.59349413 -0.37986159 1.30519750
Al 2.02906779 5.93318852 0.14120075 -1.23803111 -0.31726669 -1.25689947
Al 1.87795897 3.97725196 2.07760858 0.52108788 -0.95086543 -0.70801785
Al -0.09369494 5.89144036 1.82088025 1.17983552 -0.22492724 -1.09590411
Al -0.03435849 3.97916725 4.07061541 -1.01318834 1.77315847 0.43746770
Al 2.01803126 6.07794248 3.94280113 -1.05068866 0.79722675 0.33768119
Al 1.93329473 3.93601323 6.00081315 -0.75055922 -2.06959266 -0.22541273
Al -0.03890988 5.97517046 6.05753617 1.64474763 -1.42287656 0.70556706
Al 3.99498515 0.05029547 -0.10615124 0.07364160 1.10543168 1.10318073
Al 5.92596458 2.01381491 0.00751811 -1.36990961 0.37957698 1.39656918
Al 5.91463870 0.02416066 1.95778356 -0.29599869 0.18137418 0.58134329
Al 4.15626240 1.94403319 1.96675390 -1.95916880 -1.24592661 -1.46881817
Al 3.90550274 0.20152776 3.99572457 -0.92191390 1.45359614 -0.50982593
Al 6.07951741 2.08310859 4.14816678 0.32114177 1.37751487 0.79920009
Al 5.90080165 0.04183290 6.02043385 2.29820402 -0.69797475 -0.66708226
Al 3.95189508 2.03673502 5.94695742 1.45067993 -0.50679675 1.40527483
Al 3.98471415 4.02656006 0.04910648 -0.08005374 0.43022102 -0.97421654
Al 5.84559084 6.13141433 -0.05906117 -0.51015763 0.42177230 1.27540667
Al 5.91822199 4.16743201 2.14731991 0.30708651 -0.85486424 -1.12436479
Al 4.06260162 6.01578395 2.06594867 0.45817116 0.72381441 -0.90050111
Al 3.92947647 4.00947519 3.92747149 0.58966444 -1.15107332 -0.09360546
Al 5.92848844 6.10031250 4.04577491 0.60125314 1.00649213 -0.01672116
Al 6.00322613 3.96799601 6.16428982 0.78936690 1.12349833 -0.83921399
Al 3.86551074 5.91770382 5.93479678 -0.61283519 0.34558930 -0.01937957
32
Lattice="8.0 0.0 0.0 0.0 8.0 0.0 0.0 0.0 8.0" Properties=species:S:1:pos:R:3:momenta:R:3 "potential energy"=-106.06425167508883 "kinetic energy"=1.71782987351606 pbc="T T T"
Al -0.13208261 -0.01740710 0.16566001 0.08603008 2.41325083 0.62189980
Al 1.85647367 1.94572422 0.15704630 -0.12758211 -1.21741005 0.51261429
Al 1.84357220 -0.02603695 2.01141957 0.83960031 1.26352118 -1.61007642
Al -0.14660256 2.11075093 2.14665741 -0.99533605 -1.66000706 0.14055617
Al 0.02133143 -0.15244027 3.99242506 0.69526670 0.43280464 0.14488221
Al 1.84419269 1.90022957 3.98334800 0.42939291 0.02407246 0.24429769
Al 2.01798891 -0.14522963 6.02351365 0.52160101 -0.02345725 -0.91158130
Al -0.03199480 1.77101359 6.04765786 -1.03864675 -0.40007056 0.35215833
Al -0.15385415 3.97842838 0.12945096 0.01865240 -1.13565846 1.00869867
Al 1.97543759 5.92713671 0.09616155 -1.12193543 -0.11674166 -1.52467602
Al 1.90028427 3.94361596 2.04997983 0.75187845 -0.84169076 -0.53912496
Al -0.05964058 5.88790173 1.80638014 0.66162636 0.37286708 0.51543208
Al -0.06955110 4.04907079 4.09302635 -0.50521201 2.24001945 0.39748597
Al 1.97784875 6.10809769 3.95166618 -0.96872171 0.60818252 0.21956337
Al 1.89855249 3.86028736 5.99712181 -0.89146314 -2.05377339 0.12746186
Al 0.02830242 5.92162866 6.06856734 2.22620330 -1.26526725 0.21458961
Al 3.99543943 0.08602215 -0.06431876 -0.26883378 0.79172003 0.89474940
Al 5.87608181 2.03374201 0.05856172 -1.21650861 0.52703416 1.36964885
Al 5.90402562 0.02609035 1.99323585 -0.31208868 0.23699048 1.25800401
Al 4.07076192 1.90514710 1.92487700 -2.76910336 -0.97132603 -0.95819134
Al 3.87407195 0.24944058 3.98265244 -0.33216947 1.08141577 -0.50007581
Al 6.07491272 2.12980680 4.17329787 -0.45213076 1.05907338 0.28157272
Al 5.98336151 0.01263546 5.99873147 2.15041557 -0.85812043 -0.47576325
Al 3.99695799 2.02370903 6.00943370 1.39463653 -0.01323410 1.83410356
Al 3.98129294 4.02705266 0.01434922 0.10174576 -0.16007224 -0.76525630
Al 5.82922406 6.12724948 -0.00768881 -0.15658349 -0.31643400 0.98832264
Al 5.94492189 4.11942294 2.09727912 0.85939384 -1.55411844 -1.46863950
Al 4.06231898 6.04249289 2.02602524 -0.48973879 0.62805809 -1.31308858
Al 3.93646180 3.96096317 3.93712474 -0.08225392 -1.16430803 0.39060863
Al 5.94022338 6.13700381 4.04239831 0.34950256 0.62568596 -0.33260964
Al 6.02814218 4.01063652 6.12327393 0.64564254 0.87145646 -1.56703759
Al 3.84450413 5.93519971 5.94540261 -0.00328028 0.57553725 0.44947085
32
Lattice="8.0 0.0 0.0 0.0 8.0 0.0 0.0 0.0 8.0" Properties=species:S:1:pos:R:3:momenta:R:3 "potential energy"=-105.91883187065037 "kinetic energy"=1.6647827822554655 pbc="T T T"
Al -0.13276508 0.07088837 0.16096418 -0.08733698 2.11883621 -0.20099147
Al 1.86095411 1.90442488 0.15034133 0.20336423 -0.84022577 -0.25417184
Al 1.87987312 0.02246846 1.94634934 1.18711526 1.17063361 -1.34987486
Al -0.19894140 2.04575187 2.13984678 -1.45340001 -2.16750996 -0.07453040
Al 0.03793444 -0.12913113 3.99207747 0.51481773 0.73136697 0.14384527
Al 1.85584880 1.91787514 3.98928430 0.22313118 0.98406788 0.49317760
Al 2.02310727 -0.12779435 5.99530432 -0.10249858 0.40666917 -0.45133502
Al -0.07892077 1.76580108 6.05480883 -0.99702934 -0.00643421 0.19713755
Al -0.14666383 3.92451535 0.15103890 0.76547707 -1.96266776 0.48437031
Al 1.93792408 5.92317263 0.03576910 -0.92148813 -0.05212296 -1.78234660
Al 1.93918112 3.92464723 2.02530321 1.26404473 -0.43198511 -0.51377120
Al -0.03896186 5.91536489 1.83706559 0.54430170 1.07383115 1.42925936
Al -0.08812271 4.15197703 4.09990609 -0.27197558 3.14764876 0.29667703
Al 1.94357278 6.12715617 3.95283548 -0.34085616 -0.05953893 0.15709095
Al 1.86833919 3.79522372 5.98871044 -0.82328336 -2.00984090 -0.02689586
Al 0.10091936 5.88510672 6.08049526 1.42786481 -0.68910441 0.59480175
Al 3.98163999 0.10790582 -0.03297917 -0.51365368 -0.11750475 0.88700547
Al 5.84597293 2.06146991 0.08877484 -0.48864215 0.71059856 0.80884993
Al 5.89678550 0.03553877 2.03377730 0.00911534 0.14050021 1.20190463
Al 3.96623419 1.89842337 1.88708835 -2.44988849 0.32811283 -0.61393923
Al 3.86705638 0.27907604 3.95758633 0.00722477 0.37652107 -0.30973029
Al 6.04447914 2.16180515 4.16978920 -0.73200926 0.40905679 -0.09216822
Al 6.05414849 -0.02433825 5.97874260 1.52851426 -1.10823958 -0.19756315
Al 4.04091338 2.02580056 6.06903277 1.21068908 0.15847744 1.47255421
Al 3.97249827 4.02347362 -0.01554408 -0.30611799 -0.31362622 -0.81036046
Al 5.83931474 6.11200642 0.02294222 0.71878286 -0.72382271 1.04973714
Al 5.97399005 4.05197189 2.03954504 0.52401647 -1.98369237 -1.10230512
Al 4.02546143 6.06666978 1.97210216 -1.14190665 0.33022600 -1.05555254
Al 3.92302267 3.92827907 3.96272828 -0.44440717 -1.05751637 0.92394791
Al 5.94471166 6.15892591 4.03220249 -0.07572786 0.06422866 -0.06155518
Al 6.05642915 4.04918626 6.05255881 0.87630298 1.01566774 -1.85866304
Al 3.83715809 5.95968381 5.95895165 0.14545893 0.35738895 0.61539536
32
Lattice="8.0 0.0 0.0 0.0 8.0 0.0 0.0 0.0 8.0" Properties=species:S:1:pos:R:3:momenta:R:3 "potential energy"=-105.6867424659995 "kinetic energy"=1.3813884371184404 pbc="T T T"
Al -0.13516373 0.14553141 0.13957587 -0.11730438 1.55998355 -0.78949648
Al 1.86675515 1.87997366 0.12854073 0.32086028 -0.54823968 -0.94400335
Al 1.91935455 0.06179507 1.90204055 0.98720040 0.55311745 -1.15204927
Al -0.22646830 1.97811220 2.13944268 -0.42197142 -1.46436093 0.01008826
Al 0.04158135 -0.09407893 3.99809824 -0.11081091 1.01993555 0.24326725
Al 1.86840941 1.95894043 4.00477366 0.33555410 1.00620440 0.19300386
Al 2.01653107 -0.09668612 5.97943574 -0.22709138 1.32950630 -0.33795523
Al -0.11521292 1.76646296 6.07447230 -0.94458322 0.15875020 0.58681453
Al -0.11243561 3.85030774 0.15381422 1.26184815 -1.94824463 -0.40843154
Al 1.90050394 5.93093683 -0.02446228 -0.67891317 0.04401649 -1.50666388
Al 1.98935686 3.90911616 2.01278147 1.58387802 -0.35700264 -0.14114877
Al -0.02197511 5.96314253 1.89856960 0.36960549 0.99024587 1.56122934
Al -0.09954489 4.25884994 4.10286249 -0.06892815 2.24977106 -0.37837620
Al 1.93550002 6.11658556 3.94927391 -0.18630457 -0.56782707 -0.42577684
Al 1.83849653 3.73772628 5.99333276 -0.66559618 -1.30070741 0.32060622
Al 0.15727871 5.87528721 6.11290774 1.61679320 0.27882730 0.97344937
Al 3.95998510 0.08754271 -0.00512401 -0.24905569 -1.03130939 0.54688694
Al 5.84776604 2.09008832 0.10389268 0.43415573 0.66632789 0.16058724
Al 5.90828928 0.04893267 2.07961703 0.44852147 0.40482125 1.39682879
Al 3.87330115 1.92943658 1.87566846 -2.44841589 1.08491291 -0.15472470
Al 3.87921337 0.28196420 3.96176746 0.91971002 -0.34373079 0.51905075
Al 6.01428960 2.16587522 4.16541637 -1.09600514 -0.45290401 -0.08361407
Al 6.08581845 -0.07921594 5.96899607 0.54544339 -1.86905210 -0.07263384
Al 4.07889970 2.03313640 6.11835716 0.81042290 0.23496191 0.95747644
Al 3.95742668 4.02160292 -0.04400468 -0.38182190 -0.11206376 -0.36420485
Al 5.87331385 6.07994946 0.06191119 1.10019457 -0.81460096 0.76644629
Al 5.97418650 3.99343924 2.01194820 -0.36455878 -1.09378206 -0.53646021
Al 3.97507871 6.08505125 1.94502785 -1.36648765 0.49496548 -0.49522061
Al 3.90491085 3.89317006 3.99613233 -0.78126030 -0.92679938 1.16044621
Al 5.93838549 6.15815452 4.03298237 -0.51465393 -0.33953197 -0.44015466
Al 6.06521248 4.08328589 5.98500363 -0.15572431 0.86426334 -1.67072169
Al 3.83482859 5.97119996 5.97493141 0.04529924 0.22954583 0.50545470
32
Lattice="8.0 0.0 0.0 0.0 8.0 0.0 0.0 0.0 8.0" Properties=species:S:1:pos:R:3:momenta:R:3 "potential energy"=-105.56543931976472 "kinetic energy"=1.2685743257984352 pbc="T T T"
Al -0.14373014 0.18305138 0.10658393 -0.25595039 0.52747544 -1.06617883
Al 1.87084823 1.87710538 0.06742536 0.19271221 0.20010165 -2.36816964
Al 1.94776679 0.07308103 1.88896366 0.70508229 -0.17946335 0.00890929
Al -0.23936256 1.93752545 2.14192183 -0.09582517 -0.69051802 0.33384736
Al 0.02924446 -0.05502195 4.00269935 -0.27290487 0.78060001 -0.01087818
Al 1.87808273 1.99263402 4.02037926 0.11938072 0.82830830 0.22786117
Al 2.00324145 -0.04134560 5.96412025 -0.21762500 1.45862174 -0.35281755
Al -0.14237365 1.79711926 6.08890710 -0.56069991 0.98766336 0.06854765
Al -0.06254625 3.78897108 0.12321765 1.34622085 -1.02103946 -1.19160630
Al 1.89587677 5.94281370 -0.05897160 0.30399106 0.29814490 -0.52533491
Al 2.03771649 3.89048955 2.02068961 1.07212156 -0.24777216 0.35758092
Al 0.00288915 6.00934754 1.95777847 0.98423690 1.18001922 1.45217735
Al -0.08937871 4.33460828 4.08806946 0.05776040 1.56920346 -0.84584849
Al 1.93222906 6.07932739 3.93418972 0.34597732 -1.34487002 -0.36328174
Al 1.81436783 3.68861965 6.01419592 -0.43528284 -1.07527670 0.66290222
Al 0.19594138 5.89744437 6.15206132 0.09267595 0.86487167 0.91115463
Al 3.96121217 0.04065348 0.01397944 0.17446194 -1.50041853 0.38200998
Al 5.87714218 2.10656197 0.10678062 0.78441340 -0.10819181 -0.01143041
Al 5.91893405 0.06492084 2.13435077 0.35274060 0.22992920 1.23445112
Al 3.77876786 1.98451895 1.88017090 -2.43267761 1.65747479 0.32713684
Al 3.90992344 0.25717410 3.99003738 0.75081507 -1.05151714 0.67077159
Al 5.97773542 2.13852612 4.14758173 -0.78102967 -1.18302402 -0.88767765
Al 6.09274274 -0.14654634 5.98713045 -0.02354016 -1.75552540 0.87221951
Al 4.10439559 2.03830093 6.13073366 0.54862274 -0.10994705 -0.11849072
Al 3.94017985 4.02340057 -0.04385397 -0.50481548 0.07874263 0.05932084
Al 5.91889641 6.04679812 0.07518656 0.92107188 -1.05471785 0.23639400
Al 5.96691073 3.97245791 1.99657538 -0.15175251 -0.30061244 -0.25698356
Al 3.91696256 6.10457225 1.93102077 -1.43845342 0.44500354 -0.42877540
Al 3.87282745 3.88349838 4.04846373 -1.01131680 0.25247604 1.44807518
Al 5.92357547 6.12614158 4.01113079 -0.11081946 -1.18001047 -0.78978547
Al 6.05033619 4.12634510 5.94340370 -0.61406627 1.15327955 -0.86180817
Al 3.84173340 5.98657561 5.99657825 0.15447470 0.29098891 0.82570735
32
Lattice="8.0 0.0 0.0 0.0 8.0 0.0 0.0 0.0 8.0" Properties=species:S:1:pos:R:3:momenta:R:3 "potential energy"=-105.53067573011165 "kinetic energy"=1.3461321866141613 pbc="T T T"
Al -0.16200613 0.17588440 0.06245226 -0.81357448 -1.03160294 -1.05646713
Al 1.88298917 1.89245782 -0.03831557 0.25388155 -0.00316993 -2.60109876
Al 1.97100524 0.04542884 1.89632267 0.35537357 -0.96888099 0.44185041
Al -0.23051976 1.91706289 2.16766927 0.57368796 -0.43170923 0.68752304
Al 0.02629783 -0.02491402 3.99688687 -0.18170256 0.63605839 0.03080146
Al 1.88331985 2.01708737 4.01510080 0.06832916 0.62353997 -0.32837678
Al 2.00515249 0.03323377 5.95547326 -0.05171784 2.20485629 -0.17696253
Al -0.14826120 1.84148987 6.07503580 0.00163739 0.99693522 -0.67966687
Al -0.01001153 3.76619066 0.07353370 1.41155523 -0.06547036 -1.19344899
Al 1.91239786 5.96137104 -0.06645708 0.62887986 0.27794983 0.39366525
Al 2.07470411 3.89873192 2.03233409 0.31840270 0.54280618 0.29412703
Al 0.04114510 6.05587816 2.01142337 0.65538963 1.41249123 1.20516789
Al -0.06941771 4.37321595 4.04200785 0.53992817 0.50017798 -1.34387352
Al 1.96114034 6.02658226 3.91840863 1.13165926 -1.12151170 0.00601583
Al 1.81449590 3.66255005 6.03779563 0.00466151 -0.08759254 0.94348334
Al 0.18342896 5.93280816 6.16514513 -0.92704928 0.61831401 -0.01273076
Al 3.97513027 -0.00951259 0.02111500 0.04382478 -1.34829786 0.31019783
Al 5.91110128 2.09332634 0.10995592 0.93379150 -0.65862922 0.04320617
Al 5.94092212 0.07673771 2.16636475 0.39555668 0.27704795 0.42548976
Al 3.72054437 2.05431981 1.89794701 -1.42233899 1.45192054 0.87443220
Al 3.93591607 0.21781237 4.01707781 0.37555937 -1.31500336 0.92280205
Al 5.95608796 2.08179440 4.10386657 -0.62088001 -1.57641242 -0.90257279
Al 6.07979118 -0.20683217 6.01208378 -0.88281033 -1.68813601 0.80069714
Al 4.13419524 2.03133580 6.12036193 0.80932447 -0.47845101 -0.23777031
Al 3.91843977 4.03494004 -0.04200319 -0.65761034 0.19527183 0.12042676
Al 5.95242091 5.99838916 0.07728770 0.77058608 -1.65776541 0.21963898
Al 5.96319216 3.98189344 1.98525694 -0.29294345 0.48459070 -0.29159073
Al 3.88229601 6.11453954 1.92914629 -0.73053355 0.36037114 0.57118433
Al 3.83721017 3.91418876 4.10102477 -0.91741364 1.22100451 1.41942945
Al 5.92098698 6.07987351 3.97376570 -0.32066009 -1.29726714 -0.91863997
Al 6.01029261 4.17989693 5.92138302 -1.78569095 1.25853048 -0.34802296
Al 3.85708460 6.00636470 6.01703801 0.33289664 0.66803387 0.38108317
32
Lattice="8.0 0.0 0.0 0.0 8.0 0.0 0.0 0.0 8.0" Properties=species:S:1:pos:R:3:momenta:R:3 "potential energy"=-105.5769775695208 "kinetic energy"=1.3228755373931742 pbc="T T T"
Al -0.17558505 0.10912526 0.02386309 -0.14367024 -2.28444775 -1.00955746
Al 1.90458739 1.88828208 -0.12802176 0.68888012 -0.11038491 -1.70229815
Al 1.98077188 0.01213633 1.91945518 -0.21036415 -0.97558949 0.80186738
Al -0.18914304 1.91493296 2.19170991 0.98959774 0.26249252 0.41058949
Al 0.02400488 -0.01128719 4.01709596 -0.36489292 0.48083599 0.91782354
Al 1.88692757 2.04404673 4.00873865 -0.06458777 0.69080933 -0.02856276
Al 2.01645343 0.11168663 5.93995560 0.32203922 2.00661230 -0.58127118
Al -0.13388614 1.88369197 6.03734162 0.05873018 1.15286024 -1.32506486
Al 0.04094386 3.78305930 0.03451960 0.86275728 0.70207366 -0.83608941
Al 1.94299027 5.97150698 -0.02985433 0.62436861 0.07506396 1.44945775
Al 2.07462307 3.94187795 2.04784675 -0.59186412 1.77854317 0.36059706
Al 0.06390702 6.11189500 2.04442296 0.34049404 1.54384099 0.66500621
Al -0.05344146 4.34937925 3.99832377 0.39964181 -1.46451635 -0.91595754
Al 2.01728426 5.98056039 3.92126480 1.34208919 -0.96608506 0.29889414
Al 1.82494357 3.67413570 6.05751853 0.29293260 1.21381737 -0.13676735
Al 0.14667102 5.95279661 6.15773016 -1.32626555 0.46387199 -0.24636901
Al 3.98381585 -0.05670478 0.02366917 0.05482091 -1.15608313 0.08902886
Al 5.94891593 2.07311981 0.10463421 0.79526905 -0.41590885 -0.30494593
Al 5.94660241 0.07507361 2.16146970 -0.50638568 -0.18591916 -0.67402169
Al 3.69014662 2.09706892 1.93510646 -0.61438039 0.63605382 1.18899548
Al 3.96224147 0.17249860 4.05126317 0.40337458 -1.28400112 0.99529863
Al 5.93681083 2.02513071 4.05950781 -0.57717575 -1.27981546 -0.98484469
Al 6.05183680 -0.26222461 6.04086163 -1.04572405 -1.32496496 0.63992068
Al 4.15983131 2.01975505 6.11360577 0.23171069 -0.10568362 -0.30030357
Al 3.90782732 4.04627264 -0.04920237 -0.15424296 0.36648167 -0.10645169
Al 5.99046019 5.93562846 0.07423704 1.10954267 -1.48036527 -0.16557301
Al 5.94968904 4.00215082 1.97452787 -0.74275650 0.70628413 -0.25009781
Al 3.86970760 6.11021450 1.94566964 -0.11571268 -0.53828940 0.55344373
Al 3.82161040 3.97468429 4.14698477 -0.33935657 1.65143553 1.51330503
Al 5.91151015 6.04404583 3.94810104 -0.28648922 -0.75544063 -0.52762737
Al 5.94259243 4.21178175 5.91909047 -1.71347272 0.47997817 0.18885180
Al 3.87448679 6.02149874 6.02133384 0.28109260 0.11644031 0.02272369
32
Lattice="8.0 0.0 0.0 0.0 8.0 0.0 0.0 0.0 8.0" Properties=species:S:1:pos:R:3:momenta:R:3 "potential energy"=-105.72198610577334 "kinetic energy"=1.6090774968724753 pbc="T T T"
Al -0.17297351 0.02117359 -0.00651005 0.29394429 -2.41903390 -0.65041848
Al 1.92761847 1.87785390 -0.16710400 0.53142796 -0.37491227 -0.68272148
Al 1.97641235 -0.01412308 1.96087677 0.12566392 -0.64527126 1.22466099
Al -0.14008305 1.93547645 2.20138220 1.61590385 0.66311931 -0.16141293
Al 0.00553000 -0.00156007 4.05885862 -0.76303222 -0.08401892 1.46919300
Al 1.88992196 2.06948062 3.99864556 0.18474932 0.40259821 -0.17253461
Al 2.02288604 0.17514683 5.91933133 -0.10889448 0.98461117 -0.72091528
Al -0.13274867 1.93002038 5.98356028 0.04987376 1.41200484 -1.86343875
Al 0.07739051 3.82353542 0.02084550 0.64596027 1.19141387 0.03521883
Al 1.96424586 5.97358840 0.03893775 0.34975453 -0.00254209 1.94889918
Al 2.03538804 4.02032175 2.05372158 -1.37201924 2.21825924 0.03202285
Al 0.06910092 6.17330288 2.04483110 -0.06757567 1.55969891 -0.30383359
Al -0.04850642 4.27879836 3.96467492 0.08044324 -2.26126766 -1.26585956
Al 2.07683998 5.95616605 3.94187883 1.36547246 -0.28246172 1.14228352
Al 1.83526124 3.74296517 6.05517072 0.20541184 2.33713174 -0.27390214
Al 0.08749210 5.97451699 6.12592159 -1.75991642 0.30981553 -1.36617880
Al 4.00746081 -0.08119592 0.02540786 0.98366699 -0.39967626 0.08660976
Al 5.97594712 2.05583886 0.09058226 0.46864052 -0.63973112 -0.51864520
Al 5.91134229 0.06555205 2.13948223 -1.48028965 -0.24885914 -0.72706609
Al 3.67932978 2.10725597 1.98337435 -0.10754794 -0.17523597 1.28322484
Al 3.96828409 0.12565557 4.08487180 0.15362132 -1.31134940 0.99360490
Al 5.92566864 1.98529525 4.03774147 -0.18035010 -1.07480091 -0.54847492
Al 5.99707089 -0.29302339 6.06769219 -1.54444896 -0.55732594 0.52834514
Al 4.16905367 2.00131623 6.09404874 0.11018643 -0.62785161 -0.54290722
Al 3.90651065 4.05668960 -0.05277010 -0.18640344 0.04744439 -0.16177899
Al 6.03550871 5.88330402 0.07583979 1.50263681 -1.34965557 -0.08244783
Al 5.92920014 4.03701584 1.96192624 -0.26958727 1.00817295 -0.37230085
Al 3.88070850 6.08884170 1.97282373 0.56757229 -0.81564991 0.83741880
Al 3.82203956 4.04368943 4.19937091 0.40491131 1.46101215 1.04994872
Al 5.89189387 6.01554980 3.92004708 -0.50874594 -0.91675543 -0.72445238
Al 5.88261217 4.22090605 5.93612856 -1.29372755 0.06150107 0.67167180
Al 3.88678959 6.03140877 6.01702974 0.00269778 0.52961570 -0.16381323
32
Lattice="8.0 0.0 0.0 0.0 8.0 0.0 0.0 0.0 8.0" Properties=species:S:1:pos:R:3:momenta:R:3 "potential energy"=-105.78168562518651 "kinetic energy"=1.562040652226794 pbc="T T T"
Al -0.15302355 -0.06166115 -0.02814564 0.94912152 -1.73389276 -0.26606279
Al 1.95262835 1.85532228 -0.16647032 0.73848264 -0.64681166 0.93328151
Al 1.98685963 -0.02680808 2.00392311 0.37591722 -0.25550906 1.39855990
Al -0.07117756 1.97469424 2.18648829 2.15096275 1.23514270 -0.64356904
Al -0.02142058 -0.00519116 4.09596480 -0.65826520 -0.07094607 0.66868560
Al 1.89196107 2.08542464 3.98735893 -0.22520480 0.49356446 -0.52461652
Al 2.01487141 0.19130793 5.89137886 -0.24076302 0.10898823 -0.44464550
Al -0.12308326 1.98555059 5.91645743 0.45169898 1.66812893 -1.72908204
Al 0.07932950 3.86349859 0.02746364 -0.23953927 1.27161627 0.41415777
Al 1.96141379 5.97942024 0.09864071 -0.41822189 0.36527609 1.22972387
Al 1.98945191 4.10284205 2.04771775 -1.30063912 2.05142468 0.09020183
Al 0.05425838 6.22069565 2.02483086 -0.77743377 1.00636635 -0.43226051
Al -0.05292973 4.18929577 3.92650361 -0.26447143 -2.23631349 -0.62377598
Al 2.11531220 5.96400670 3.97622853 0.67554258 0.87221125 0.84308616
Al 1.85301955 3.84759189 6.02855287 0.64618409 3.03377076 -0.83400939
Al 0.02376029 5.98752136 6.06226124 -1.59005113 -0.01768172 -1.66042160
Al 4.02970684 -0.09037815 0.01643901 0.39775217 0.06268259 -0.13522410
Al 5.98451995 2.02486479 0.07444682 0.31358771 -1.09539586 0.06712789
Al 5.85823263 0.05814987 2.10864111 -1.12260100 -0.31850268 -0.76869008
Al 3.69325273 2.08910565 2.02253038 0.69565983 -0.62208209 1.13459846
Al 3.96805814 0.06950154 4.11542559 -0.02885687 -1.70581948 0.70445557
Al 5.92141926 1.95359807 3.99837031 -0.13196852 -0.42730002 -1.09502761
Al 5.93388829 -0.29530547 6.08140729 -2.09492926 0.69596621 0.27720161
Al 4.17425831 1.97800096 6.07768301 -0.12722201 -0.30803429 -0.34255811
Al 3.88947306 4.05104438 -0.04216165 -0.65927798 -0.16343271 0.67413563
Al 6.08576780 5.83224901 0.07519098 1.33064911 -1.14084490 0.29103435
Al 5.92617538 4.06808332 1.95191074 0.07359280 0.65762492 0.00248814
Al 3.90819285 6.05195797 1.99340880 0.97201100 -1.26270675 0.53434143
Al 3.85225627 4.07171665 4.22516886 1.33726095 -0.06613577 0.26136714
Al 5.88457858 5.98023711 3.89297935 0.17540985 -0.97265526 -0.57942785
Al 5.83469985 4.21625782 5.95235022 -0.99563867 -0.35784621 0.54252285
Al 3.87904472 6.04314291 6.01073210 -0.40874923 -0.12085264 0.01240140
32
Lattice="8.0 0.0 0.0 0.0 8.0 0.0 0.0 0.0 8.0" Properties=species:S:1:pos:R:3:momenta:R:3 "potential energy"=-105.80126561341051 "kinetic energy"=1.6612728516737616 pbc="T T T"
Al -0.11500016 -0.11718660 -0.03720075 1.25509791 -1.28640737 -0.56411888
Al 1.98617506 1.83300534 -0.11221579 0.53670689 -0.10670168 1.73682342
Al 2.01018603 -0.04291717 2.05639009 0.61127026 -0.08750032 1.19757458
Al -0.00600183 2.02218138 2.14268313 1.29137624 1.00489654 -1.81026227
Al -0.04824805 -0.01671445 4.10844607 -0.75153036 -0.43120698 0.30904563
Al 1.88468693 2.10282252 3.97371336 -0.08832338 0.54183909 -0.26048548
Al 2.01172257 0.17163701 5.87394640 0.13649509 -0.98127105 -0.32598023
Al -0.11762242 2.04787981 5.85775067 -0.10727420 1.67470070 -1.27491748
Al 0.07210069 3.91341776 0.05662671 -0.39817849 1.28411622 0.71469933
Al 1.94581903 5.99433348 0.13737894 -0.33699430 0.78469565 0.68550614
Al 1.93351408 4.17107903 2.05671237 -1.63607566 1.54051087 0.19625557
Al 0.01358673 6.24361324 2.00621647 -1.53141777 0.41635361 -0.19911915
Al -0.06304024 4.09966691 3.90887922 -0.43843226 -2.08969494 -0.24206765
Al 2.12016641 6.00073486 4.01038283 -0.50332239 1.23646192 1.05768790
Al 1.88250289 3.97065105 6.00007888 0.77032390 3.61403403 -0.33064988
Al -0.02610201 5.96991638 6.00108014 -1.64578405 -0.54123120 -1.62505595
Al 4.04424911 -0.08677704 0.02671519 0.12346031 0.39714048 0.56707172
Al 5.99211227 1.98302858 0.07382520 0.45566843 -1.07904362 0.07314356
Al 5.81988391 0.04064799 2.07639776 -0.94495194 -0.75148780 -1.22537216
Al 3.73616520 2.07126373 2.06210392 1.44228361 -0.48043539 1.15005164
Al 3.97294069 0.01073173 4.12783844 0.34792653 -1.20975435 -0.02426852
Al 5.92336799 1.94577011 3.95627016 0.13466443 0.06975833 -1.45864677
Al 5.86282664 -0.26240133 6.08687071 -1.80165299 1.23960708 0.09981088
Al 4.16442759 1.96298198 6.05401226 -0.75413120 -0.01148223 -0.51658046
Al 3.88118161 4.03785614 -0.02229408 -0.06186672 -0.29330015 0.45316113
Al 6.13259960 5.78870180 0.08695289 1.08065021 -0.87513325 -0.02031276
Al 5.92600788 4.07544404 1.96665428 0.13539164 -0.18420989 0.77034983
Al 3.95086622 6.00852753 2.00943242 1.26311747 -0.88966928 0.31935781
Al 3.91070560 4.05601607 4.22445344 1.55360872 -0.36842183 -0.27102623
Al 5.90896420 5.94429039 3.87122517 1.04900148 -0.67847144 -0.15363729
Al 5.81077618 4.18787101 5.97982843 -0.43209348 -0.97799556 0.91180207
Al 3.86293756 6.03745875 6.01725914 -0.75501394 -0.48069619 0.06015995
32
Lattice="8.0 0.0 0.0 0.0 8.0 0.0 0.0 0.0 8.0" Properties=species:S:1:pos:R:3:momenta:R:3 "potential energy"=-105.8103135773834 "kinetic energy"=1.558946390143623 pbc="T T T"
Al -0.06391749 -0.13953463 -0.05275003 1.44548961 -0.17433991 -0.35851416
Al 1.99148567 1.84321982 -0.05065185 -0.10576169 0.49003993 1.52529603
Al 2.04683195 -0.03140621 2.09991109 1.23717309 0.60467923 1.22782775
Al 0.03298552 2.05240233 2.06210865 0.93327223 0.38346989 -2.32313848
Al -0.08056116 -0.03206967 4.12123236 -0.71714077 -0.31480880 0.09268940
Al 1.88187548 2.12011111 3.96537440 0.15338165 0.48546095 0.01387713
Al 2.00792314 0.12507310 5.86008460 -0.02476824 -1.24872006 -0.02490174
Al -0.12571050 2.10070776 5.83108271 -0.32551564 1.08390291 -0.12809765
Al 0.05516540 3.96626164 0.06654202 -0.58714518 1.28892307 -0.19193568
Al 1.93041068 6.02444621 0.14642340 -0.57304296 0.73757858 -0.06272042
Al 1.88393502 4.21744334 2.06708801 -1.01890101 0.83879240 0.24718585
Al -0.04594748 6.24394952 2.00149701 -1.49968313 -0.42693981 0.00273824
Al -0.08113962 4.03320985 3.89893026 -0.57250766 -1.99683227 -0.09070576
Al 2.08206367 6.04139147 4.05502292 -1.25101060 0.70591516 0.95143709
Al 1.90083544 4.10654660 6.00465702 0.58338304 3.44357007 0.21716148
Al -0.08810771 5.95241049 5.94975647 -1.80702244 -0.45053179 -1.16099496
Al 4.03772458 -0.05889292 0.05310021 -0.61950962 0.58348258 0.91279771
Al 6.00374296 1.94407869 0.07679511 0.19566846 -0.87212554 0.15023265
Al 5.79811391 0.01696770 2.02798241 -0.11006304 -0.62393887 -1.08072655
Al 3.80428131 2.06638981 2.09089512 2.01450501 0.24292013 0.51943454
Al 3.98856372 -0.03242670 4.13018386 0.27846726 -0.81170403 -0.11583617
Al 5.92410957 1.96520771 3.90226480 -0.14018771 0.85989936 -1.45554295
Al 5.81063044 -0.21424146 6.09253411 -0.96673450 1.41930252 -0.12516020
Al 4.13796218 1.96989389 6.03476163 -0.60787341 0.30963305 -0.37514873
Al 3.88658256 4.03596135 0.00305881 0.08261304 -0.13553316 0.81159177
Al 6.15825804 5.76149414 0.08001384 0.00367448 -0.52954964 -0.22498545
Al 5.92128272 4.03825300 1.99574550 -0.05977888 -1.42075468 0.83459246
Al 3.99935096 5.98042296 2.01350462 1.48127213 -0.58591097 -0.10524177
Al 3.97934280 4.03649296 4.19160915 1.66569874 -0.66335787 -1.16913287
Al 5.95079340 5.92319163 3.87301991 1.32862428 -0.36554015 0.09869222
Al 5.79936035 4.13977077 6.01248546 0.31090794 -1.65274496 0.97513274
Al 3.83535888 6.00785980 6.02720526 -0.72748447 -1.20423731 0.41209648
32
Lattice="8.0 0.0 0.0 0.0 8.0 0.0 0.0 0.0 8.0" Properties=species:S:1:pos:R:3:momenta:R:3 "potential energy"=-105.81056535551012 "kinetic energy"=1.6088312565628815 pbc="T T T"
Al -0.02611244 -0.12311887 -0.06823538 0.74200818 0.81794511 -0.45845049
Al 1.98190172 1.87883886 0.00673388 -0.29834346 1.33998447 1.26957138
Al 2.07774089 -0.00298255 2.14888667 0.58339923 0.89031262 1.27577349
Al 0.06977025 2.04929757 1.97843432 0.85290786 -0.34455232 -2.40207701
Al -0.10351318 -0.03799195 4.12266465 -0.69911677 -0.01491804 0.11626035
Al 1.90327248 2.13713188 3.96242674 0.82654425 0.12131968 -0.05460115
Al 1.99293951 0.07092006 5.87036926 -0.69445212 -1.33140939 0.88177904
Al -0.13115602 2.13803299 5.84874940 0.26591841 0.85652512 0.65792477
Al 0.02782486 4.00817919 0.05584216 -0.87647172 0.98690374 -0.42298930
Al 1.91460945 6.05159232 0.12838070 -0.05646017 0.65474918 -0.94228450
Al 1.85699080 4.23236758 2.08369772 -0.49487638 0.16230855 0.29291385
Al -0.09769326 6.22156315 2.00600439 -1.24910014 -0.85362675 0.00155164
Al -0.10643251 3.97573323 3.90992923 -0.83941364 -1.19093405 0.80728004
Al 2.01688720 6.08378569 4.08565743 -2.15232593 1.16589280 0.57126247
Al 1.92739570 4.21689021 6.01537388 0.68510125 2.15717679 0.46911122
Al -0.15402730 5.93899403 5.90712826 -1.45241607 -0.59918822 -1.04156761
Al 4.01111668 -0.03858744 0.09680496 -0.74351190 0.18294209 1.08083529
Al 6.01416819 1.92063823 0.07305368 0.03488422 -0.19643465 -0.29748977
Al 5.80871782 -0.00871867 1.99857163 0.59256883 -0.65187392 -0.53937469
Al 3.88354927 2.07945536 2.10898836 2.07955178 0.37658531 0.18815743
Al 3.99279587 -0.06698753 4.11279332 0.06609262 -1.10053606 -0.89733727
Al 5.92910810 2.00855829 3.85618842 0.17077170 1.28554795 -1.04202012
Al 5.77990452 -0.15540603 6.07958131 -0.44184155 1.29143434 -0.60881213
Al 4.11679387 1.98538706 6.01772167 -0.58303424 0.28457844 -0.80253120
Al 3.89338761 4.03413914 0.04213154 0.52264544 -0.18764933 0.96131732
Al 6.12858917 5.76151477 0.07147958 -1.36876280 0.64756159 -0.16582633
Al 5.91427015 3.97829281 2.03023010 -0.00986681 -1.70675844 0.90905958
Al 4.05134995 5.96158496 2.01292658 1.31905485 -0.66828418 0.00988945
Al 4.02968311 4.01499195 4.12634330 1.12423850 -0.81893275 -2.29733121
Al 6.00585936 5.91837730 3.88778201 1.35316795 -0.47091568 0.67794264
Al 5.82883681 4.07364162 6.05026394 1.13788201 -2.08285758 0.94217825
Al 3.80067679 5.96888256 6.05382465 -0.39674336 -1.00289641 0.85988456
32
Lattice="8.0 0.0 0.0 0.0 8.0 0.0 0.0 0.0 8.0" Properties=species:S:1:pos:R:3:momenta:R:3 "potential energy"=-105.72839482733579 "kinetic energy"=1.503295657075538 pbc="T T T"
Al -0.00150731 -0.08555820 -0.08144979 0.55977904 1.00960100 -0.33090918
Al 1.96866327 1.94333763 0.04098965 0.13744898 2.18163568 0.61074506
Al 2.09304436 0.01827569 2.19120214 0.36603382 0.24845141 0.90166990
Al 0.09258886 2.02455925 1.88630521 0.51680835 -0.85445639 -2.27597317
Al -0.13345678 -0.03187822 4.12767059 -0.94111149 0.67870187 0.36232148
Al 1.92458884 2.14492283 3.96580802 0.43578787 0.04020740 0.07719132
Al 1.96857609 0.02574124 5.91637000 -0.50032787 -0.94809896 1.44286290
Al -0.12324719 2.15272295 5.88211022 0.04509413 -0.07857437 1.09037454
Al 0.00447399 4.02921990 0.04051925 -0.42190782 0.39539216 -0.55260770
Al 1.92137543 6.08520158 0.09321309 -0.04105167 0.84791747 -0.63563441
Al 1.84726107 4.23247914 2.08848574 -0.04642398 -0.17660823 -0.26589006
Al -0.13415646 6.18531580 2.01357750 -0.90973532 -1.21861096 0.28749496
Al -0.12937785 3.94235195 3.93663239 -0.09728108 -0.56707837 0.45365779
Al 1.92693596 6.12652385 4.09660839 -2.53179489 0.82139878 0.07268961
Al 1.93965138 4.27095521 6.03220987 0.01416482 0.71562950 0.82587272
Al -0.19649916 5.92422018 5.87043640 -0.91853562 -0.51686931 -0.80494707
Al 3.97186285 -0.03610597 0.12231123 -1.04945765 0.11921569 0.30337689
Al 6.02052478 1.92094650 0.05397400 0.14298226 0.07026322 -0.66297046
Al 5.83616810 -0.03438199 1.98068386 1.08408069 -0.51451881 -0.17819358
Al 3.96352419 2.10703095 2.10993423 2.12305378 0.66264765 -0.34192090
Al 4.00887694 -0.09976665 4.07339878 0.52136726 -0.54512504 -1.24061173
Al 5.94158074 2.04953462 3.83200190 0.75034330 0.82568879 -0.17103513
Al 5.78578911 -0.11082709 6.06194256 0.58675568 1.39184933 -0.21794018
Al 4.09536806 1.99714237 5.99720216 -0.72663691 0.18298066 -0.28273178
Al 3.90430772 4.02080806 0.08201549 0.02495829 -0.77267829 1.16530113
Al 6.04423444 5.80088449 0.06599999 -2.65037031 1.54242602 -0.60897484
Al 5.92190610 3.92011311 2.05404821 0.38346771 -1.53835590 0.14108674
Al 4.09448959 5.94621437 2.02226653 0.58910719 -0.34363879 0.42933610
Al 4.06683506 3.98588574 4.03045185 0.69680431 -0.57484547 -2.38130724
Al 6.04375200 5.90562626 3.91696550 0.43707564 -0.10040690 1.28828478
Al 5.87082918 3.98871629 6.07755252 1.17202847 -2.32248823 0.44581915
Al 3.79002371 5.93771112 6.09290156 0.24749300 -0.66165261 1.05356236
32
Lattice="8.0 0.0 0.0 0.0 8.0 0.0 0.0 0.0 8.0" Properties=species:S:1:pos:R:3:momenta:R:3 "potential energy"=-105.73283506767048 "kinetic energy"=1.4782155001913657 pbc="T T T"
Al 0.00543598 -0.04208030 -0.09420547 -0.05115727 1.61412805 -0.32062903
Al 1.97707993 2.02405055 0.04606803 0.49828972 2.04267112 -0.14702871
Al 2.09639901 0.01922313 2.21142791 -0.05153395 0.07781042 0.11727147
Al 0.10573399 1.96725370 1.81952341 0.07035047 -1.43283090 -1.40539388
Al -0.17483630 -0.00020067 4.12924792 -1.17683343 1.01796450 -0.14854859
Al 1.95532658 2.14692699 3.97421128 1.12142810 0.31087947 0.82157396
Al 1.94222296 0.00369444 5.98209486 -0.77468749 -0.32278070 2.17994243
Al -0.12204257 2.12398391 5.92576233 0.37189383 -0.80231562 1.35700483
Al -0.00722348 4.03858306 0.01922308 -0.16287913 0.35716682 -0.50371802
Al 1.91989882 6.11548053 0.06492719 0.03800456 0.76950704 -0.63048567
Al 1.85678430 4.21499247 2.07790352 0.61797645 -0.55113391 -0.35946992
Al -0.15145794 6.12907437 2.03204163 -0.23251413 -1.62656050 0.49941819
Al -0.12526027 3.93380562 3.94999490 0.47566290 0.17858277 0.03818298
Al 1.82689777 6.13663874 4.08874239 -2.52411883 0.06484033 -0.27183082
Al 1.92470788 4.26426001 6.05776068 -0.90818810 -0.55889906 0.96084796
Al -0.23130059 5.90260282 5.84873564 -0.95482785 -0.47423528 -0.41292939
Al 3.93780954 -0.03094079 0.11578114 -0.64482265 0.64634907 -0.53193988
Al 6.02275413 1.92042772 0.03388750 0.03911074 0.12183514 -0.29148847
Al 5.87422894 -0.05708635 1.97268099 1.12233356 -0.26752747 0.06952438
Al 4.02765747 2.11707503 2.09858092 1.13379714 -0.13322034 -0.53850962
Al 4.02769528 -0.09722683 4.02431581 0.67821594 0.46170006 -1.06384584
Al 5.97040450 2.05985776 3.83716642 0.85692767 0.04697118 0.39844578
Al 5.80719940 -0.06517972 6.05720477 0.77822563 1.45771114 -0.12151495
Al 4.06354672 1.99298200 5.99086848 -1.08218618 -0.15169545 0.00492270
Al 3.90072067 3.98781750 0.10268337 0.00459480 -0.67980455 0.31252546
Al 5.94321606 5.87657422 0.02992182 -2.53843855 2.36796774 -1.03411521
Al 5.93857051 3.86656113 2.04231910 1.03095058 -1.14395931 -0.52997068
Al 4.10760600 5.93939416 2.04059038 -0.01254933 -0.08628233 0.44807403
Al 4.08236319 3.96563277 3.95398516 0.11089167 -0.26991076 -1.47555442
Al 6.04343520 5.89578459 3.96050264 -0.45000907 -0.11871243 1.20187033
Al 5.92005392 3.89932648 6.08793161 1.30982080 -2.00684343 0.30638346
Al 3.81889974 5.90783462 6.13700617 1.30627139 -0.90937279 1.07098512
32
Lattice="8.0 0.0 0.0 0.0 8.0 0.0 0.0 0.0 8.0" Properties=species:S:1:pos:R:3:momenta:R:3 "potential energy"=-105.86507008705257 "kinetic energy"=1.6106699036279362 pbc="T T T"
Al 0.00216787 0.01256861 -0.11542810 -0.16979446 1.42977970 -0.55278312
Al 2.00026326 2.09709817 0.03180917 0.95258818 1.97800167 -0.45859528
Al 2.08088661 0.01978285 2.20287171 -0.76425718 0.33346572 -0.39777469
Al 0.10433537 1.91062524 1.78433737 -0.10194659 -1.31243166 -0.02845350
Al -0.21418647 0.04334922 4.11179533 -0.58922646 1.17498371 -0.40916756
Al 1.99096872 2.14671164 4.01161157 1.11576672 -0.32987101 1.17408584
Al 1.91259587 0.00787240 6.05152552 -0.88498659 0.80211381 1.46972656
Al -0.11164172 2.08671930 5.98445424 0.41283452 -1.13800354 1.64155089
Al -0.00893855 4.04851791 -0.01077347 0.16862776 0.28658206 -0.48109900
Al 1.91786526 6.15011073 0.03667711 -0.17437205 1.21925826 -0.76953172
Al 1.89086909 4.19045742 2.06267210 1.09788199 -0.68725912 -0.61784946
Al -0.15311001 6.05965991 2.04342544 0.25182216 -1.99563312 0.27917244
Al -0.10400207 3.93415454 3.94374429 1.03481189 0.07941438 -0.33215020
Al 1.74509247 6.12843882 4.07869702 -1.86591941 -0.20973601 -0.18087180
Al 1.88237319 4.20537173 6.08135498 -1.09560554 -1.97009238 0.75050397
Al -0.26156716 5.87668332 5.84906553 -0.46983773 -0.36992964 0.59114623
Al 3.90860206 -0.00737880 0.08683800 -0.57329042 0.71549963 -0.78465833
Al 6.01205967 1.91331804 0.02414240 0.00131217 -0.11293701 -0.30192322
Al 5.90903374 -0.06652330 1.97608479 0.99194337 0.12344416 0.20114264
Al 4.05180720 2.08322381 2.06078991 0.11957863 -1.10148176 -1.18868492
Al 4.06605156 -0.08226787 3.99296441 0.85785888 0.61514959 -0.44503439
Al 5.99804360 2.02597864 3.86188169 0.98048622 -1.28544311 1.31899699
Al 5.82919161 -0.02799188 6.02930168 0.59896732 1.12108739 -0.86600791
Al 4.00217613 1.98365147 6.00473515 -1.94480142 0.12512859 0.51037299
Al 3.89982038 3.96311054 0.11428808 0.22089657 -0.42746628 0.31749217
Al 5.85159607 5.96075269 -0.01309252 -2.06678703 2.39874760 -1.20140008
Al 5.97934729 3.83812405 2.00485045 1.44256177 -0.08316325 -1.13683931
Al 4.08340016 5.92686099 2.05681096 -1.05454752 -0.27325776 0.67243138
Al 4.06777618 3.95913810 3.90610867 -0.45518514 0.21905546 -0.99545306
Al 6.01305334 5.89347463 4.00394003 -0.96875030 0.21597380 1.43740951
Al 5.96387330 3.83440857 6.09988130 1.09229841 -1.11848627 0.55596048
Al 3.87365501 5.87624112 6.15996659 1.83907128 -0.42249361 0.22828546
32
Lattice="8.0 0.0 0.0 0.0 8.0 0.0 0.0 0.0 8.0" Properties=species:S:1:pos:R:3:momenta:R:3 "potential energy"=-105.90323610164361 "kinetic energy"=1.7982725972325666 pbc="T T T"
Al -0.01554655 0.05780302 -0.13448329 -0.84739030 0.83472245 -0.38718209
Al 2.04752067 2.15391958 0.00449001 1.23627179 1.11808327 -0.91386763
Al 2.04788750 0.02418493 2.17695746 -1.13377601 -0.00482924 -0.92028773
Al 0.09528322 1.86121706 1.80594239 -0.38779051 -1.38421906 1.14938410
Al -0.22915316 0.08391475 4.09461880 -0.26837618 1.13089293 -0.60252479
Al 2.02517959 2.12783118 4.05518683 0.82532402 -0.68902710 0.82583522
Al 1.88733165 0.03892220 6.08699764 -0.43886320 1.02347539 0.49998732
Al -0.08816640 2.02789274 6.04726751 0.76064511 -1.81273037 1.53627133
Al -0.01228014 4.04670417 -0.01088718 -0.44606928 0.17286212 0.11403644
Al 1.90662858 6.19578781 0.01857496 -0.27995559 1.20595957 -0.22963345
Al 1.93959988 4.14053582 2.04663862 1.36634027 -1.26046679 -0.49643476
Al -0.13360701 5.98154862 2.03931575 0.69618429 -1.64879143 -0.49161033
Al -0.05601631 3.94053226 3.94324894 1.35335460 -0.00453445 -0.20224934
Al 1.68581066 6.10345547 4.08748027 -1.24692369 -0.78688614 0.13085575
Al 1.83720752 4.12266474 6.09925685 -1.05558544 -2.05448470 -0.06705860
Al -0.27160387 5.86748965 5.89163931 -0.07523544 -0.11756985 1.66790563
Al 3.89743177 0.02691159 0.05672958 -0.08790100 0.94574123 -0.78199661
Al 6.00181448 1.90995586 0.01245622 -0.37748795 0.05937989 -0.51988313
Al 5.95890552 -0.05361611 1.97976969 1.43656376 0.63241829 0.04126033
Al 4.03727158 2.02449447 2.00526041 -0.58687400 -1.74246456 -1.58338801
Al 4.09369252 -0.06209637 3.98491294 0.29039782 0.68436325 -0.39810430
Al 6.01961468 1.96730899 3.91620894 0.45622214 -1.24105595 1.62875156
Al 5.85680817 0.00992041 6.00490120 0.90106437 1.14249037 -0.30325215
Al 3.91976909 1.98911664 6.01785843 -2.37208593 0.12822031 -0.14804193
Al 3.92207983 3.93738176 0.11881420 0.82579852 -0.29712201 -0.09323982
Al 5.78506676 6.05585994 -0.04988239 -1.30100613 2.51695969 -0.56955675
Al 6.04211547 3.85299432 1.94945567 1.85136257 0.89634953 -1.70416892
Al 4.02320301 5.92224938 2.08913294 -1.81971470 0.36682679 1.01445380
Al 4.04879483 3.96377876 3.89498703 -0.33846075 0.07311706 0.31973424
Al 5.95838815 5.90419283 4.06382542 -1.55753763 0.25195131 1.52867736
Al 5.99579121 3.80167531 6.11905437 0.72867339 -0.59723821 0.25706223
Al 3.94829215 5.87105336 6.15785783 1.89283108 0.45760640 -0.30173495
32
Lattice="8.0 0.0 0.0 0.0 8.0 0.0 0.0 0.0 8.0" Properties=species:S:1:pos:R:3:momenta:R:3 "potential energy"=-105.7003769602151 "kinetic energy"=1.5703928441275181 pbc="T T T"
Al -0.05029393 0.07407049 -0.12973290 -1.10500260 -0.04678396 0.34212777
Al 2.07797899 2.17857555 -0.02926397 0.17643502 0.14356927 -0.76599815
Al 1.99135265 0.01914524 2.14035762 -1.74239752 -0.22142549 -0.89240323
Al 0.07551175 1.83224529 1.86963062 -0.68266783 -0.40970620 2.04902692
Al -0.21876893 0.12462198 4.07597005 0.96126637 0.88650438 -0.84918705
Al 2.05100376 2.09771029 4.08320047 0.40468951 -0.91508893 0.53940646
Al 1.88078196 0.07505636 6.09444955 0.01508031 0.53577971 -0.23427316
Al -0.05316350 1.96536114 6.10555278 0.86827668 -1.37095228 1.35576829
Al -0.04260501 4.05422061 0.00125972 -0.83103756 0.04627209 0.56877253
Al 1.89274300 6.22446723 0.01042418 -0.41047034 0.60545757 -0.15106716
Al 1.99400606 4.09682939 2.03267262 1.38990277 -1.26178711 -0.56058947
Al -0.11685702 5.92459880 2.00758845 0.32614602 -1.22477936 -1.12067567
Al 0.00034046 3.93508928 3.94963303 1.33567648 -0.10751372 0.34639668
Al 1.67054307 6.06149906 4.09513962 0.25228611 -1.12812581 0.26572833
Al 1.81906803 4.05653190 6.09559663 0.07371036 -1.61994820 -0.56274000
Al -0.27335578 5.87341216 5.97175788 0.12107052 0.37548345 2.09038472
Al 3.89064671 0.06835027 0.02229964 -0.25213571 1.39171790 -1.11274392
Al 5.98414941 1.91640237 -0.00140959 -0.53317308 -0.12920649 -0.36718995
Al 6.01309256 -0.02485877 1.97791698 1.28590726 0.81209396 -0.19748080
Al 4.00820021 1.96248136 1.93957048 -0.80271027 -1.56190693 -1.79646393
Al 4.08877040 -0.04417764 3.97666656 -0.50106043 0.44322925 -0.23634149
Al 6.04557220 1.93639958 3.98274950 0.66206382 -0.70970082 2.00111853
Al 5.89151712 0.03844909 6.00173854 0.79118383 0.66809151 -0.22416680
Al 3.82913805 2.00197611 6.00209350 -2.03061162 0.50614697 -0.71825762
Al 3.97101131 3.93433056 0.10531189 1.43610473 0.20129518 -0.68142905
Al 5.75568539 6.12977482 -0.06734809 -0.27999044 1.39992930 -0.06518427
Al 6.09925611 3.89973983 1.90397367 1.29565588 1.44897806 -0.99174419
Al 3.96041580 5.94323395 2.12911230 -1.63992382 0.77093248 0.92389058
Al 4.03848010 3.96099368 3.92737201 -0.14500194 -0.36237351 1.08362378
Al 5.89815340 5.92172288 4.12105100 -1.52167663 0.55870480 1.36953726
Al 6.00742106 3.78591991 6.12540936 -0.12796391 -0.20351653 -0.17580370
Al 4.00809017 5.88628710 6.13261312 1.21036803 0.47862949 -1.23204224
32
Lattice="8.0 0.0 0.0 0.0 8.0 0.0 0.0 0.0 8.0" Properties=species:S:1:pos:R:3:momenta:R:3 "potential energy"=-105.50851366864269 "kinetic energy"=1.6034476201544356 pbc="T T T"
Al -0.08876641 0.06344113 -0.10618696 -1.12690864 -0.87500308 1.00631134
Al 2.07642298 2.16322416 -0.05255395 -0.55688543 -0.89985409 -0.51648366
Al 1.93128103 0.01503615 2.10929887 -1.80092742 -0.13320819 -0.91799079
Al 0.05854699 1.83516143 1.95710098 -0.51763371 0.60342081 2.45119157
Al -0.15154939 0.14010998 4.04231767 1.76518719 -0.16946831 -0.93268110
Al 2.06698961 2.05123336 4.09467314 -0.07839876 -1.38333610 -0.11384880
Al 1.91005691 0.08808482 6.06298343 0.91800182 0.27743473 -1.19597682
Al -0.01290594 1.92474250 6.13910084 0.75494392 -0.81736588 0.72081580
Al -0.07324043 4.05174553 0.03276472 -1.01050405 -0.31556852 0.57991831
Al 1.87354638 6.23225953 0.01293693 -0.32886746 -0.30470188 -0.06964964
Al 2.03858222 4.04100795 2.00660005 1.10276853 -1.98338080 -0.69352866
Al -0.08868906 5.89021842 1.96637990 0.95133864 -0.67391304 -0.69046832
Al 0.05691160 3.92666596 3.96889049 1.03330277 -0.48036914 0.33986453
Al 1.69579563 6.01681860 4.11165727 0.82169354 -1.24696767 0.53648918
Al 1.84613459 4.00905016 6.05430226 0.69730275 -0.65451297 -1.39892093
Al -0.24121813 5.89410503 6.05473780 0.70305968 0.67641144 2.22130560
Al 3.88304811 0.11509390 -0.02144845 -0.42840632 0.93633349 -1.21596032
Al 5.96719508 1.91192928 -0.01476568 -0.40038117 -0.15828332 -0.19024464
Al 6.06396685 0.00199202 1.96899834 1.07237457 0.64280828 -0.08517885
Al 3.97678173 1.90320733 1.89174835 -1.19984189 -1.28492107 -0.81031410
Al 4.06143600 -0.03095547 3.98024049 -0.98020855 0.39679451 0.00614175
Al 6.06572655 1.93427665 4.05081123 0.01511599 0.81404300 1.59749949
Al 5.92578226 0.07411083 5.99508996 0.61129741 1.12783378 -0.29182933
Al 3.75999067 2.01953460 5.97051206 -1.78180705 0.49192888 -0.88783402
Al 4.02639384 3.95558524 0.08490005 1.23253186 0.87073807 -0.58414041
Al 5.77846670 6.17434577 -0.04968691 0.91396436 1.17718037 1.03201688
Al 6.14821948 3.95566936 1.88225419 0.88089496 1.52531781 -0.24290256
Al 3.90050061 5.97177809 2.15717252 -1.67775379 0.55129215 0.28566389
Al 4.03285746 3.95685837 3.98394459 -0.49370367 -0.18881714 1.54547144
Al 5.85899489 5.93460166 4.16815883 -1.11873908 0.32966139 0.78001254
Al 5.99985199 3.79290006 6.10470435 -0.58355300 0.74319820 -0.79415214
Al 4.05664846 5.89823038 6.08416827 0.61074203 0.40527427 -1.47059722
32
Lattice="8.0 0.0 0.0 0.0 8.0 0.0 0.0 0.0 8.0" Properties=species:S:1:pos:R:3:momenta:R:3 "potential energy"=-105.45938658242896 "kinetic energy"=1.6422922539136828 pbc="T T T"
Al -0.13411514 0.02193484 -0.07342265 -1.11827448 -1.37341301 1.22790403
Al 2.03932186 2.12530410 -0.05624514 -1.33458223 -1.27709679 0.49406835
Al 1.87433708 0.00539011 2.07667112 -1.41073708 -0.16036213 -1.04171446
Al 0.04844679 1.86981650 2.03908323 -0.22579926 1.05881720 1.76447099
Al -0.07720418 0.11664861 4.00982676 2.16296847 -1.02108875 -0.57294234
Al 2.05340651 1.99278508 4.07871210 -0.78269334 -1.93549050 -0.76651887
Al 1.94598434 0.09268037 6.00218833 0.96805754 -0.44929282 -1.91376538
Al 0.01353273 1.91140335 6.16411929 0.58201145 -0.13716622 0.87128287
Al -0.11630015 4.03860271 0.05060060 -0.98161982 -0.74654263 0.27558133
Al 1.86653724 6.20985618 0.01775413 0.29486483 -1.16541413 -0.03702752
Al 2.07020530 3.96112166 1.98531167 0.44229819 -2.07730635 -0.56454724
Al -0.05438689 5.88141914 1.95489223 0.93097759 0.26992061 0.14398603
Al 0.07401967 3.90085967 3.97922836 0.15672158 -0.71442619 0.23082186
Al 1.73706738 5.97869511 4.14144193 1.39025784 -0.93174176 0.67768125
Al 1.88122330 3.98966318 6.00321555 1.01755935 -0.38084527 -1.48271665
Al -0.20048254 5.93718949 6.12784362 1.18112967 1.53349333 1.61235853
Al 3.88534825 0.13591949 -0.07436574 0.28748119 0.48052582 -1.55666780
Al 5.95194375 1.91684965 -0.01598059 -0.67711302 0.17598168 0.23833319
Al 6.10208486 0.01050780 1.97274113 0.76805466 -0.14532578 0.59783322
Al 3.94120120 1.88071678 1.87714172 -0.61149807 -0.21582163 0.18615208
Al 4.02720693 -0.01248202 3.98769175 -0.69116035 0.51305062 0.44569189
Al 6.04939442 1.98596312 4.10302030 -0.96604346 1.28034713 1.17547300
Al 5.94651883 0.12097511 5.97886573 0.63437978 1.07854193 -0.42163887
Al 3.72367708 2.03882945 5.94086965 0.12760574 0.63875693 -0.37380389
Al 4.05481856 3.99950475 0.05827161 0.64528642 1.14110089 -0.65284817
Al 5.82348590 6.20745861 -0.00306594 1.17894163 0.70100742 1.56452238
Al 6.17323022 4.01213275 1.87685271 0.16442902 1.20707282 0.63371434
Al 3.84411892 6.00657551 2.15948722 -1.48341082 0.72608419 -0.29693724
Al 4.01710728 3.95631700 4.03374590 -0.53033265 -0.12579126 0.94872773
Al 5.83179184 5.94519485 4.18124735 -0.37087162 0.10742802 -0.02722544
Al 5.96782107 3.82655291 6.05687210 -0.85684248 0.83038641 -1.61911919
Al 4.05488346 5.92784941 6.01756513 -0.89204628 1.11461021 -1.76113002
32
Lattice="8.0 0.0 0.0 0.0 8.0 0.0 0.0 0.0 8.0" Properties=species:S:1:pos:R:3:momenta:R:3 "potential energy"=-105.69523905824306 "kinetic energy"=1.9588343960913974 pbc="T T T"
Al -0.17731255 -0.02980681 -0.02282576 -0.66808451 -1.23157330 1.17422726
Al 1.97198037 2.06108084 -0.02062182 -1.80315220 -1.79505337 1.18801728
Al 1.82608737 -0.00004302 2.02944321 -1.23062470 -0.11776237 -1.39985235
Al 0.03278645 1.92485841 2.08801697 -0.85725662 1.60008941 1.23540769
Al 0.00549350 0.06173202 4.00239126 2.25914709 -1.44645601 0.19507787
Al 2.01917162 1.92228962 4.02713577 -1.12092371 -1.91098680 -1.77252493
Al 1.96267318 0.05464114 5.93482475 -0.12722569 -1.03691257 -1.47633598
Al 0.04288718 1.92741400 6.18315692 0.94304626 0.77506188 0.36664133
Al -0.14022112 4.00212131 0.05689912 -0.15259008 -1.17751317 0.00451025
Al 1.88811821 6.14765379 0.01406732 0.83465867 -2.10028960 0.00788570
Al 2.08070426 3.89710297 1.96357721 0.14560212 -1.31836866 -0.47522871
Al -0.01599012 5.89725825 1.95688443 1.39782940 0.68408960 0.01626328
Al 0.05979380 3.86857294 3.98623565 -0.54671629 -0.52045803 0.10106951
Al 1.79729456 5.94196129 4.16089270 1.49614950 -1.06527874 0.74112204
Al 1.93076514 3.98958388 5.95966211 1.54372858 0.14969185 -0.73642257
Al -0.16940781 5.99503398 6.17472757 0.77497227 1.58849703 0.77785928
Al 3.89709232 0.13985030 -0.12954259 0.26507683 -0.29583677 -1.54050403
Al 5.92576744 1.92656531 0.00548390 -0.97307368 0.62373086 0.85783350
Al 6.11786087 -0.00307001 2.01990773 0.03783420 -0.21801649 1.73181152
Al 3.93654348 1.88461601 1.88243621 0.16827078 0.26349246 0.53524188
Al 4.00199577 0.00692612 4.00391756 -0.63214479 0.36846789 0.39112265
Al 6.00784898 2.03274813 4.13358278 -0.99865422 1.18828042 0.41035895
Al 5.96852352 0.15442818 5.96009252 0.60593006 0.80248020 -0.42180968
Al 3.76259079 2.05365808 5.92380430 1.60662786 0.22191632 -0.41543387
Al 4.06508912 4.04039481 0.03252719 -0.04892969 1.11013100 -0.46604606
Al 5.86592734 6.21675957 0.06815021 1.22406989 0.25380883 1.94135662
Al 6.15611980 4.04095546 1.90802919 -1.10643006 0.98162973 1.38946958
Al 3.80431465 6.03283903 2.13318069 -0.76952034 0.75213557 -0.89066111
Al 3.98924286 3.94024700 4.05634265 -0.70401045 -0.36570867 0.00462016
Al 5.84286324 5.95069945 4.16670976 1.02912075 0.17920333 -0.48855128
Al 5.93997412 3.85960659 5.99396782 -0.64080099 1.06822961 -1.50026234
Al 3.99517735 5.98630539 5.95072174 -1.95192627 1.98927853 -1.48626343
32
Lattice="8.0 0.0 0.0 0.0 8.0 0.0 0.0 0.0 8.0" Properties=species:S:1:pos:R:3:momenta:R:3 "potential energy"=-105.85938936481826 "kinetic energy"=2.0149758382372225 pbc="T T T"
Al -0.19209746 -0.07822206 0.02520998 0.23446113 -0.90170300 1.47040587
Al 1.90983806 1.99913069 0.02510213 -1.50883118 -1.87422196 1.63060688
Al 1.78795484 -0.00322301 1.96850736 -0.64252972 -0.09732184 -1.82846564
Al 0.00962726 1.98884809 2.11909966 -0.57976544 1.62438510 0.38034274
Al 0.06514476 0.00045475 4.02870293 0.92017831 -1.97443213 1.16401510
Al 1.97285997 1.85081082 3.95123380 -1.08081809 -1.53965317 -1.87021098
Al 1.95620615 0.00666714 5.89002056 -0.13487607 -0.98263691 -0.94676338
Al 0.07002132 1.95928303 6.19365823 0.58304958 0.68385998 0.30009850
Al -0.11992707 3.96260937 0.03789473 0.66512500 -0.86942732 -0.74431922
Al 1.91477320 6.06376139 -0.00079528 0.93252245 -2.53155498 -0.51611691
Al 2.07910284 3.86518538 1.95334662 0.00037321 -0.42982729 0.00380147
Al 0.04707988 5.93047781 1.95373580 1.83867082 0.75208833 0.09342209
Al 0.03647293 3.84869889 4.00052754 -0.54688657 -0.34656963 0.44921306
Al 1.86777713 5.90780227 4.18850290 1.88801588 -0.68174210 0.34025008
Al 1.97938601 4.00004556 5.93390736 0.83025849 0.45601759 -0.40592812
Al -0.12874701 6.04606552 6.20285866 1.25107760 1.22703523 0.53735205
Al 3.91056716 0.10898046 -0.17369451 0.36636229 -1.14962834 -0.39500841
Al 5.90258486 1.95735629 0.02628318 -0.42184816 1.15292079 0.18796450
Al 6.10332845 -0.01241137 2.08176358 -0.70942544 0.07609611 1.95573300
Al 3.95273630 1.89066130 1.91184421 0.53818679 0.15547155 1.02918697
Al 3.96877775 0.02028846 3.99855400 -1.21219675 0.25944787 -0.48748286
Al 5.96871031 2.06935780 4.11904202 -1.17289505 0.74325116 -0.86054704
Al 5.98394748 0.18323986 5.94748331 0.05599461 0.60049844 -0.09412738
Al 3.83232623 2.05485947 5.91701385 1.67641014 -0.11031213 0.13195319
Al 4.05262977 4.08743852 0.01303536 -0.49407552 1.43405752 -0.35905048
Al 5.90600596 6.21584084 0.12864033 0.52382325 -0.21760622 1.26274482
Al 6.08829292 4.06077786 1.97820384 -2.37410845 0.33498195 2.53942071
Al 3.78464484 6.05313679 2.09472922 -0.18544391 0.42929297 -1.30808908
Al 3.97159940 3.93835857 4.03356305 -0.49623655 0.17651807 -1.08001202
Al 5.90221474 5.95631971 4.12907792 1.77191464 0.30730089 -1.18401861
Al 5.92088095 3.89945486 5.95406369 -0.52715346 1.40144916 -0.63265998
Al 3.91392880 6.05792476 5.91007209 -1.98933381 1.89196432 -0.76371092
32
Lattice="8.0 0.0 0.0 0.0 8.0 0.0 0.0 0.0 8.0" Properties=species:S:1:pos:R:3:momenta:R:3 "potential energy"=-105.81978031003398 "kinetic energy"=1.9834950132969222 pbc="T T T"
Al -0.18259827 -0.09265919 0.06818707 0.57239864 0.24524537 0.86118910
Al 1.86305549 1.92026083 0.09414764 -0.85227345 -1.86263487 1.70087814
Al 1.76798307 -0.01527270 1.89597841 -0.06315474 -0.39818408 -1.71131723
Al -0.00944891 2.04586154 2.12229193 -0.66827212 1.27112102 -0.11143858
Al 0.08182043 -0.08300217 4.07141658 0.28485147 -2.08293465 0.98605449
Al 1.93387409 1.79789974 3.88745827 -0.74993809 -1.07846853 -1.37156423
Al 1.95103700 -0.03588029 5.89266723 0.05338143 -0.80618629 0.62183372
Al 0.08281795 1.98217219 6.18858892 0.22496894 0.66271356 -0.85353885
Al -0.10249004 3.93361165 -0.00452132 0.44633650 -0.28414226 -1.06135338
Al 1.94566225 5.97922948 -0.02063515 0.77531382 -2.22991467 -0.51715417
Al 2.07010367 3.86492825 1.95789078 -0.13319494 0.20156908 0.31146508
Al 0.10416285 5.95378072 1.97744918 1.35868643 0.58299662 1.00752234
Al 0.01290769 3.84344366 4.01327326 -0.29503295 0.21036602 0.21564453
Al 1.92577613 5.88640884 4.18077017 1.71918847 -0.50051244 -1.08852145
Al 1.99158551 4.01789316 5.92326205 0.34951083 0.36930567 -0.06899188
Al -0.09519139 6.07640800 6.20895996 1.05939339 0.36515551 -0.17466211
Al 3.90623981 0.03582898 -0.18948215 -0.30733606 -1.99183551 -0.19456054
Al 5.89152282 1.99997283 0.02737520 -0.34178040 1.09748874 0.12224258
Al 6.05144440 -0.00780510 2.17114811 -1.75348335 0.22069361 2.45383737
Al 3.97638154 1.89182085 1.95439073 1.01832859 0.37887117 1.37594398
Al 3.92145885 0.02710907 3.99455981 -1.11662713 0.25582450 -0.25865863
Al 5.93009645 2.08475282 4.07771432 -0.70804168 0.47615553 -1.22644663
Al 5.99425563 0.19866129 5.95456905 0.55489044 0.30097813 0.38851329
Al 3.89647712 2.03789041 5.92735533 1.80204361 -0.36486417 0.15798827
Al 4.03599208 4.13505253 -0.00097020 -0.32813053 0.81051369 -0.48433042
Al 5.91101520 6.18457326 0.16775751 0.14101522 -1.11894181 0.79964120
Al 5.98366652 4.07353366 2.07960295 -2.87674111 0.48918638 2.60610982
Al 3.78097313 6.06202076 2.04257338 -0.06286972 0.09240945 -1.61838242
Al 3.95256796 3.95211503 3.98234078 -0.27176930 0.83202306 -1.49756178
Al 5.98046609 5.96781192 4.07112523 2.18945723 0.35375298 -1.71509624
Al 5.88578403 3.94904901 5.96098971 -0.78591318 1.50953522 0.54743687
Al 3.84957394 6.12959639 5.89282314 -1.23520627 1.99271397 -0.20272225
32
Lattice="8.0 0.0 0.0 0.0 8.0 0.0 0.0 0.0 8.0" Properties=species:S:1:pos:R:3:momenta:R:3 "potential energy"=-105.58547494862077 "kinetic energy"=1.7004042456303468 pbc="T T T"
Al -0.14018333 -0.05713022 0.08742346 1.04050242 1.14396119 0.17347625
Al 1.84961848 1.85115196 0.14464635 -0.06428633 -1.75176270 1.22238473
Al 1.78193551 -0.03360358 1.83991786 0.42597928 -0.63719327 -0.90587503
Al -0.04332792 2.09531262 2.11553585 -1.56940014 1.10365843 -0.23708939
Al 0.07329039 -0.15455471 4.10456013 -0.45319058 -1.55178236 0.72827730
Al 1.90848823 1.77054382 3.84139799 -0.78702246 -0.33909484 -0.94396941
Al 1.95214780 -0.05468265 5.91940127 -0.28103380 -0.04265773 1.08400723
Al 0.08554375 2.01184966 6.13735566 -0.47014581 0.58396781 -1.77208432
Al -0.07056206 3.92676797 -0.03434651 0.73291990 -0.42227889 -0.29171995
Al 1.98507528 5.90530638 -0.04500765 0.99915434 -1.95189769 -0.82208277
Al 2.06164869 3.87937354 1.96079109 -0.21086792 0.51588324 0.03708454
Al 0.13544376 5.97099292 2.01898956 -0.02311118 0.26633617 1.54801208
Al 0.00639292 3.86158223 4.02397307 -0.10938101 0.81792178 0.22762112
Al 1.99796357 5.87104076 4.10940676 1.58524089 -0.17024317 -2.32172096
Al 2.00742233 4.02202503 5.92845658 0.51632099 -0.09366438 0.48890795
Al -0.05138441 6.08005848 6.18670584 0.72412942 -0.05323728 -0.81509035
Al 3.88767144 -0.03435246 -0.17668069 -0.47832837 -1.71127013 0.99356805
Al 5.88245641 2.05043869 0.03587259 -0.57338779 1.09863308 0.40429951
Al 5.99719816 0.00945384 2.25303035 -1.94114811 0.52437184 1.77484824
Al 4.02105810 1.90585081 2.00407687 1.06960927 0.19931375 1.29467329
Al 3.90285594 0.03763133 3.98750735 -0.45266059 0.33619941 0.09063655
Al 5.91722667 2.09765911 4.03206531 -0.35255620 0.56306629 -1.21944309
Al 6.01316697 0.19866326 5.97233408 0.39880022 -0.17501709 0.89570834
Al 3.96612511 2.01430565 5.93680920 1.53128489 -0.82895957 0.49895373
Al 4.02256005 4.15594493 -0.02591116 -0.42690192 -0.11172554 -0.56344217
Al 5.91057321 6.13514580 0.18576490 -0.09765014 -1.51040717 0.33414218
Al 5.88238014 4.09248959 2.16147605 -2.34284845 0.51763501 1.52939651
Al 3.79380146 6.05592514 1.98128921 0.47233391 -0.16222731 -1.39555843
Al 3.93514419 3.98938133 3.92340719 -0.58223711 1.09414212 -1.63078454
Al 6.06048657 5.98339876 4.00492681 1.81673023 0.28126653 -1.59017172
Al 5.86273235 4.00562254 5.99167703 -0.52203732 1.50559768 1.02869048
Al 3.83995082 6.19069367 5.89479532 0.42518946 0.96146481 0.15434406
32
Lattice="8.0 0.0 0.0 0.0 8.0 0.0 0.0 0.0 8.0" Properties=species:S:1:pos:R:3:momenta:R:3 "potential energy"=-105.41819558055262 "kinetic energy"=1.3936230220415737 pbc="T T T"
Al -0.09828063 -0.01777773 0.08762461 0.58318612 0.75194563 0.12525375
Al 1.85604920 1.80449638 0.16577669 0.54116616 -0.39877417 0.18007063
Al 1.81466003 -0.04437946 1.81807749 1.07613719 -0.47558461 -0.12141955
Al -0.10069340 2.12328880 2.09213608 -1.44057229 0.44528600 -1.21108825
Al 0.04957446 -0.20274397 4.13771183 -0.75310871 -1.17237479 0.70147830
Al 1.89788418 1.78448108 3.81478852 -0.10174296 0.90358608 -0.63493683
Al 1.93051785 -0.03544506 5.97177980 -0.89148290 1.08304105 1.53362320
Al 0.05768076 2.03990620 6.06551840 -1.04530850 0.54882021 -2.03314198
Al -0.04963948 3.91781120 -0.04288318 0.46365080 -0.21608586 -0.04299560
Al 2.01179056 5.84391614 -0.07531593 0.16318141 -1.25003660 -0.77759818
Al 2.05988033 3.90904917 1.96998457 -0.08322895 0.90457483 0.37711557
Al 0.13118930 5.95930356 2.07506043 -0.52978890 -0.86094967 1.48538103
Al -0.00127165 3.89514949 4.03745084 -0.28523924 1.12529120 0.72616726
Al 2.04726520 5.86229641 4.01251244 0.82202268 0.15073826 -2.76500416
Al 2.02060724 4.01309430 5.95405562 -0.08166740 -0.24478180 0.73809359
Al -0.02331498 6.06216925 6.14623074 0.47851609 -0.73913017 -1.20974349
Al 3.88236633 -0.07957692 -0.12735706 -0.03536697 -0.88751452 1.56830234
Al 5.86655831 2.09637356 0.05279173 -0.34346393 1.72849168 0.54104856
Al 5.93631525 0.03377850 2.30120686 -1.49230852 0.80966265 0.65463922
Al 4.05702361 1.92394263 2.03862304 0.59543368 0.69279230 0.48340604
Al 3.89578949 0.04501733 3.97511634 -0.06306669 -0.06698746 -0.53295534
Al 5.91780079 2.11317825 4.00027684 -0.11830649 0.28749940 -0.40204929
Al 6.02735971 0.17189770 5.99661658 0.26850194 -1.28443995 0.52305237
Al 4.01261559 1.98407778 5.95736220 0.71277889 -1.17400142 1.02015987
Al 4.01017800 4.14300018 -0.05100041 -0.53619932 -0.71875158 -0.41282908
Al 5.92494397 6.06706567 0.18854971 0.53765942 -1.74748471 -0.11954118
Al 5.80969871 4.10959632 2.18755179 -1.59200488 0.27349539 0.26163903
Al 3.82474177 6.04103897 1.93844386 1.25889059 -0.53683368 -0.83460452
Al 3.91650686 4.01626928 3.88205785 -0.38402832 0.80053359 -0.65651605
Al 6.12659021 5.99909207 3.96190707 1.07504917 0.38876630 -0.72199480
Al 5.85103156 4.05491479 6.03925273 -0.34349674 1.38427090 1.23388811
Al 3.88813242 6.19333849 5.90481778 1.54420761 -0.50506450 0.32309941
32
Lattice="8.0 0.0 0.0 0.0 8.0 0.0 0.0 0.0 8.0" Properties=species:S:1:pos:R:3:momenta:R:3 "potential energy"=-105.47377527341851 "kinetic energy"=1.4703650066890028 pbc="T T T"
Al -0.09202129 0.01339970 0.08551704 -0.42604660 0.64888261 0.06392351
Al 1.88054815 1.82196337 0.15560278 0.79917460 1.04816976 -0.42114324
Al 1.87419085 -0.06858680 1.82419684 1.82999253 -0.72965727 0.41738869
Al -0.15561197 2.13255491 2.03034254 -1.26515887 -0.00247919 -1.77633314
Al 0.02106628 -0.23104382 4.14793212 -0.57717352 -0.38324350 -0.26884742
Al 1.89180330 1.83126594 3.79351149 -0.30830029 1.36410587 -0.38449318
Al 1.90260637 0.01213204 6.01058827 -0.44021582 1.31457041 0.86524710
Al 0.01871393 2.06651830 5.98966935 -1.18619395 0.72768241 -1.77180587
Al -0.03403813 3.92213632 -0.03847598 0.09440117 0.03159945 0.70737667
Al 2.00755745 5.80134301 -0.10601362 -0.56884190 -0.75162183 -0.53211033
Al 2.03674448 3.94711537 1.97505874 -0.78627525 0.97127133 0.16340113
Al 0.11270212 5.92218255 2.12916253 -0.73266978 -1.22817135 1.00730376
Al -0.01424325 3.93950449 4.07131017 -0.51735647 1.18150280 1.33071167
Al 2.07693839 5.88276449 3.91173735 0.84109074 0.90342165 -2.34354637
Al 2.02358393 3.98357294 5.98472115 0.04551330 -1.05242096 0.75607469
Al 0.00219138 6.02082555 6.11133124 0.73030873 -1.45591370 -0.59847891
Al 3.88838611 -0.11287904 -0.06002973 0.54204914 -0.82873243 2.07101278
Al 5.84523164 2.15796807 0.07238123 -0.58335808 1.16879604 0.72171139
Al 5.89872493 0.06391355 2.30608348 -0.62081019 0.34445744 -0.29963973
Al 4.05943722 1.95792286 2.06365733 -0.40244822 0.91814781 0.54180384
Al 3.88975422 0.04298630 3.95721946 -0.30340760 0.02266328 -0.18079011
Al 5.92671549 2.12427213 3.99433974 0.33272341 0.42489882 0.07677809
Al 6.04074342 0.11631969 6.01315413 0.33506726 -1.88719637 0.62622064
Al 4.03702594 1.94808890 5.99561857 0.63191973 -0.78234525 1.01863641
Al 3.97772515 4.10194700 -0.06502903 -1.08958981 -1.45589788 -0.01287170
Al 5.95729787 6.01406732 0.16386087 1.08483332 -1.14306299 -1.25598248
Al 5.76508638 4.11982959 2.16178803 -0.57021727 0.36200046 -1.25451630
Al 3.87007556 6.02247704 1.91397500 1.05373890 -0.46073778 -0.59497053
Al 3.90571587 4.04452293 3.86803645 -0.26914841 0.67944608 -0.01414955
Al 6.15404454 6.01115391 3.94952154 0.04514831 0.22622808 0.10898679
Al 5.85813535 4.10382948 6.07994789 0.53250036 1.36836097 0.91336596
Al 3.95428637 6.15327958 5.91155480 1.74875051 -1.54472478 0.31973579
32
Lattice="8.0 0.0 0.0 0.0 8.0 0.0 0.0 0.0 8.0" Properties=species:S:1:pos:R:3:momenta:R:3 "potential energy"=-105.69609142533123 "kinetic energy"=1.6510943782468477 pbc="T T T"
Al -0.11735888 0.01958143 0.08092830 -0.69407851 -0.14318467 -0.24164653
Al 1.91315527 1.87894560 0.12719526 1.05567789 1.73190897 -0.81220163
Al 1.94630445 -0.09873310 1.86227611 1.91173111 -0.52401977 1.56257160
Al -0.20591825 2.12570119 1.97542800 -1.30099410 -0.08572987 -1.31716858
Al 0.01296789 -0.22147424 4.12196710 0.18709748 1.04294809 -1.15803186
Al 1.87844620 1.88777512 3.79004137 -0.52793366 1.72564459 0.38201160
Al 1.88355178 0.05635059 6.04729668 -0.54516585 1.11335256 0.89702498
Al -0.02146188 2.08815504 5.92501442 -0.94906005 0.56464319 -1.31722408
Al -0.04721651 3.92049506 -0.00117686 -0.71420952 0.08846029 1.08446570
Al 1.97911265 5.78445424 -0.12743974 -0.58970300 -0.01106195 -0.45858118
Al 2.01939173 3.97572194 1.98106596 -0.55060994 0.52197750 0.10123359
Al 0.06829463 5.87841951 2.14072055 -1.54952809 -0.77390818 -0.15627256
Al -0.02047712 3.97629674 4.11343835 0.27461572 1.09391434 0.72199104
Al 2.10720217 5.91367697 3.82232638 0.45676472 0.92012261 -2.03961364
Al 2.02788270 3.93314290 6.01091079 0.17593110 -1.42645810 0.52513077
Al 0.01605242 5.95675449 6.09529850 0.34688929 -1.91812048 -0.28393209
Al 3.91228713 -0.12110538 0.01690337 0.84435074 0.14370043 2.27180871
Al 5.83535583 2.19043777 0.09653179 -0.11188425 0.55167162 0.73874968
Al 5.88481276 0.06385453 2.26551118 -0.18790154 0.07858857 -1.47133374
Al 4.02348369 1.99379700 2.07315919 -1.25521760 1.07495925 0.18979399
Al 3.87160976 0.03862239 3.94698724 -0.64500437 0.01445964 -0.17561001
Al 5.94981897 2.12058501 4.00005595 0.62358231 -0.39870861 0.15949374
Al 6.05323811 0.03893361 6.04947160 0.12124079 -2.16673013 1.13257484
Al 4.05002664 1.92436819 6.03682929 0.14972999 -0.37116913 1.37333273
Al 3.94129677 4.03763419 -0.06875906 -0.93220865 -1.88167929 -0.12066027
Al 5.99732960 5.97630741 0.11073336 1.15008558 -0.66544521 -1.35215600
Al 5.75949949 4.12313654 2.09444128 0.43885558 0.16974845 -1.97964501
Al 3.90537058 6.01314562 1.90596807 0.95944452 -0.10755187 -0.06519612
Al 3.90288419 4.05820490 3.88665248 0.18182003 0.22268010 0.81823011
Al 6.14671931 6.01134068 3.96274544 -0.75519125 0.11653235 0.57029284
Al 5.88646573 4.14939950 6.09343510 1.13494578 1.20029972 0.06238661
Al 4.01035860 6.08052613 5.92715795 1.29592775 -1.90184497 0.35818075
32
Lattice="8.0 0.0 0.0 0.0 8.0 0.0 0.0 0.0 8.0" Properties=species:S:1:pos:R:3:momenta:R:3 "potential energy"=-105.83930096875845 "kinetic energy"=1.7120603122037434 pbc="T T T"
Al -0.13968086 -0.00709117 0.07956907 -0.44293857 -0.54283025 -0.09205564
Al 1.95340123 1.95164295 0.09053583 0.91417289 2.12645208 -1.06114896
Al 1.99909384 -0.11884015 1.92638497 1.01002734 -0.14200555 1.78707366
Al -0.25355999 2.10828110 1.91983737 -1.06843278 -0.93071987 -1.44743511
Al 0.01782484 -0.17840594 4.07698085 0.25899698 1.32051584 -1.50465330
Al 1.85985325 1.94384554 3.81066540 -0.30781821 1.47863837 0.60349402
Al 1.86455925 0.08418477 6.07680055 -0.30468809 0.43897875 0.83114228
Al -0.05084957 2.09808466 5.88519336 -0.42503643 0.10022537 -0.50566470
Al -0.07426075 3.93067397 0.03898773 -0.79623175 0.71782012 0.81594376
Al 1.96262934 5.79488179 -0.13523142 -0.40307623 0.90307340 -0.21291088
Al 1.99477335 3.98608115 1.98142973 -1.02874503 0.61954427 -0.14158557
Al 0.00740987 5.85003162 2.12162978 -1.56965256 -0.59967504 -1.01075033