Model name: model_name=MEAM_LAMMPS_MahataMukhopadhyayAsleZaeem_2022_AlFe__MO_304347095149_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.070949114859104
cohesive_energy=3.369388139873114
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[0.0, 1.8327458733989397e-19, 2.8562964160298395e-19, 3.2371978889970002e-19, 3.5526184029325797e-19, 3.81962113898868e-19, 4.0488445500150593e-19, 4.2474984308647194e-19, 4.42069372500012e-19, 4.57227565634286e-19, 4.705176208133159e-19, 4.82171853649032e-19, 4.923777188076119e-19, 5.01290627422554e-19, 5.090387536245779e-19, 5.15727841071528e-19, 5.21450816008176e-19, 5.26289389442856e-19, 5.3031245497083e-19, 5.33577690950922e-19, 5.36141173565322e-19, 5.3805096811305e-19, 5.39345526833322e-19, 5.39792534114208e-19, 5.39448066137898e-19, 5.38489964510766e-19, 5.369246379393479e-19, 5.34651149295702e-19, 5.31493259150088e-19, 5.272330714802819e-19, 5.216158402014779e-19, 5.1437079746253e-19, 5.051951318796119e-19, 4.93723547180172e-19, 4.79505831730056e-19, 4.619956432970699e-19, 4.40508852458496e-19, 4.14197907774948e-19, 3.81987748725012e-19, 3.4251171863988593e-19, 2.94013831928706e-19, 2.34201373828218e-19, 1.60042225058577e-19, 6.74705419756812e-20, -4.90764326937174e-20, -1.97410591781676e-19, -3.8907738033046197e-19, -6.41996983773702e-19, -9.853402320866339e-19, -1.469586904476696e-18, -2.18871747794106e-18, -3.3353151860631597e-18, -5.35777479469404e-18, -9.499161067088939e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

========================================
theta = 0.0
========================================

Energy: 0.011593854313951815
Energy: 0.09194149379958594
Energy: 0.09174301326047571
Energy: 0.09144362515054048
Energy: 0.012094848433866323
Energy: 0.012591290958440696
Energy: 0.09235482115059931
Energy: 0.09157331403945133
Energy: 0.09171394259768954
Energy: 0.01197517665344952
Energy: 0.09127873761131555
Energy: 0.2504004817614171
Energy: 0.09151586941741868
Energy: 0.25033872130785206
Energy: 0.0916276320410015
Energy: 0.09133219932411121
Energy: 0.25034341114060077
Energy: 0.09193009105424609
Energy: 0.09204731585612719
Energy: 0.09242986580133367
Energy: 0.09146352462336255
Energy: 0.013184186427824776
Energy: 0.01209581171361024
Energy: 0.0925501399456183
Energy: 0.09140094617995471
Energy: 0.09174040991653395
Energy: 0.012658288666156498
Energy: 0.012051070759192822
Energy: 0.0928917321328923
Energy: 0.09144663118316113
Energy: 0.09161790765086998
Energy: 0.011815167600178271
Energy: 0.012330185350687467
Energy: 0.25254442886982026
Energy: 0.09123609294403731
Energy: 0.2502478188345645
Energy: 0.011830451696198925
Energy: 0.012027719279251071
Energy: 0.253713310470008
Energy: 0.09170495533719714
Energy: 0.09165327928387583
Energy: 0.09163863675417071
Energy: 0.25240152176751535
Energy: 0.012237868125830158
Energy: 0.012327693335163897
Energy: 0.09192547414502399
Energy: 0.09164511350874843
Energy: 0.09175263534920754
Energy: 0.01262874279790891
Energy: 0.25296305346813824
Energy: 0.09138486509670525
Energy: 0.09124332789355968
Energy: 0.09240829428756356
Energy: 0.013432831095406841
Energy: 0.013280253083634144
Energy: 0.25106998666951075
Energy: 0.5155854001551888
Energy: 0.09218408845046111
Energy: 0.01353758621954172
Energy: 0.013761911829826263
Energy: 0.014264155011541312
Energy: 0.25275279288865066
Energy: 0.09151863318969938
Energy: 0.09241331915943309
Energy: 0.2501040702344191
Energy: 0.012121285887164436
Energy: 0.2510169432497961
Energy: 0.09177742087433961
Energy: 0.09314880098042404
Energy: 0.2501536261428259

minimum gb energy = 0.011593854313951815 eV
minimum distance =  2.61235421258552 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

Energy: 0.7088984421131128
Energy: 0.6937387201477824
Energy: 0.6297089540085612
Energy: 0.6273397947575583
Energy: 0.7690726981928702
Energy: 0.6384515790641127
Energy: 0.7515806491352326
Energy: 0.6292189582800715
Energy: 0.6260530574849275
Energy: 0.7251189326505574
Energy: 0.709713270092846
Energy: 0.7855878630878479
Energy: 0.6672937618939693
Energy: 0.6619094665895534
Energy: 0.67507599327016
Energy: 0.6669394280061697
Energy: 0.7787219636879924
Energy: 0.6284623437124673
Energy: 0.6977031379019728
Energy: 0.7396988716653881
Energy: 0.6392890818122132
Energy: 0.726571398402081
Energy: 0.676704465823475
Energy: 0.5828061693482094
Energy: 0.5608087073916076
Energy: 0.5737445726918269
Energy: 0.7837788434302231
Energy: 0.6897306950143104
Energy: 0.6537871427366564
Energy: 0.6323135870936695
Energy: 0.6981448343931103
Energy: 0.6608239876730932
Energy: 0.6609266259307015
Energy: 0.5685571248413188
Energy: 0.5912983864527006
Energy: 0.7001210579097522
Energy: 0.6965954529630888
Energy: 0.6632973764431616
Energy: 0.7064511306820833
Energy: 0.6308423615115315
Energy: 0.7358476531636294
Energy: 0.6358387044127631
Energy: 0.7562878475526909
Energy: 0.6406751078173092
Energy: 0.6936390124107219
Energy: 0.6992887438818239
Energy: 0.641525122854594
Energy: 0.7476063000706057
Energy: 0.6577252453212962
Energy: 0.6368652711760271
Energy: 0.7347735859095479
Energy: 0.7133652774741132
Energy: 0.6959461249975706
Energy: 0.6125049151109968
Energy: 0.7666564138428074
Energy: 0.6506261435788898
Energy: 0.7156321961282754
Energy: 0.6625242856575961
Energy: 0.5644630219365425
Energy: 0.7234388940062688
Energy: 0.6285132708883547
Energy: 0.698660760308393
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Energy: 0.6665240417032979
Energy: 0.7392476612782393
Energy: 0.629687429727644
Energy: 0.7683175357873654
Energy: 0.5960721561727307
Energy: 0.6720374064809863
Energy: 0.7426566294822684
Energy: 0.62638298475168
Energy: 0.6730344866911003
Energy: 0.7357762141083274
Energy: 0.7305815473699837
Energy: 0.6928131634239371
Energy: 0.6274988288142306
Energy: 0.7137065984893912
Energy: 0.6430385125921595
Energy: 0.5978528431047011
Energy: 0.6279923062744271
Energy: 0.6678694243301205
Energy: 0.6996194631209792
Energy: 0.7182432998918661
Energy: 0.6923360612771451
Energy: 0.6711499741945044
Energy: 0.667457630008533
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Energy: 0.6596704669251378
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Energy: 0.6703692949053223
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Energy: 0.7011740133775831
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Energy: 0.6353247738256428
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Energy: 0.6753055714789634
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Energy: 0.7831095460506774
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Energy: 0.7343379799272887
Energy: 0.6252339124000617
Energy: 0.6821090121820559
Energy: 0.6277281824804926
Energy: 0.698140109417392
Energy: 0.7449228715478688
Energy: 0.6796701841818763
Energy: 0.7026468973506121
Energy: 0.6973228497795849
Energy: 0.6989732439810394
Energy: 0.6316441322041829
Energy: 0.6389033368973243
Energy: 0.7636245370807634
Energy: 0.6297336520983485
Energy: 0.6289375252494321
Energy: 0.7238939224295158
Energy: 0.686572428973315
Energy: 0.6962287366832169
Energy: 0.6313788074915869
Energy: 0.628034250518146
Energy: 0.7743758055385215
Energy: 0.6538058050476101
Energy: 0.776786542826928
Energy: 0.6686807967948019
Energy: 0.6944177853432816
Energy: 0.6949738134600296
Energy: 0.6713503338386237
Energy: 0.7685986835297067
Energy: 0.6682978832601455
Energy: 0.6657765673410888
Energy: 0.6307948736931652
Energy: 0.5642379740426606
Energy: 0.8053792974154173
Energy: 0.5878577227076195
Energy: 0.6489668152537927
Energy: 0.6208593176621842
Energy: 0.613992710147153
Energy: 0.794018550930412
Energy: 0.5914514406245869
Energy: 0.5653453241819123
Energy: 0.5652041332483462
Energy: 0.5701386749273253
Energy: 0.6631860147258384
Energy: 0.6619154304969208
Energy: 0.6306788781907803
Energy: 0.5565199586304895
Energy: 0.6697626510343098
Energy: 0.658549236764249
Energy: 0.8143715686244085
Energy: 0.5778281857533808
Energy: 0.5565889801877699
Energy: 0.7048630228449738
Energy: 0.7219691506153952
Energy: 0.7534326472862006
Energy: 0.6553512593058543
Energy: 0.6515269484259034
Energy: 0.7389058979056117
Energy: 0.7196003769466268
Energy: 0.757825006044046
Energy: 0.681480463342166
Energy: 0.6877517746594931
Energy: 0.7348596826851505
Energy: 0.7112472699342243
Energy: 0.6622169199027802
Energy: 0.5684031657816346
Energy: 0.6807946872175296
Energy: 0.6708977693460226
Energy: 0.7132515680649598
Energy: 0.6824389181920922
Energy: 0.609618731915978
Energy: 0.7460991600803877
Energy: 0.6299261955682055
Energy: 0.7773502144436728
Energy: 0.7390577759688091
Energy: 0.6721992923960333
Energy: 0.7519001101192704
Energy: 0.7080597056597385
Energy: 0.7654121190840498
Energy: 0.6831425944174238
Energy: 0.712649848284736
Energy: 0.6992057949014943
Energy: 0.6267600232018962
Energy: 0.7021680721873744
Energy: 0.7895887498080745
Energy: 0.5359402465572476
Energy: 0.6901103539086328
Energy: 0.627107688068092
Energy: 0.6951873305566829
Energy: 0.7541073115190864
Energy: 0.6818463879163515
Energy: 0.6285369609866469
Energy: 0.6281249957534362
Energy: 0.6862452452600689
Energy: 0.6570914725169886
Energy: 0.7001791806162537
Energy: 0.6707434888567624
Energy: 0.6281270897832584
Energy: 0.702550059177366
Energy: 0.6723023192317643
Energy: 0.7538285985774417
Energy: 0.6712719633009654
Energy: 0.6946272962848998
Energy: 0.6420827937696086
Energy: 0.5666857310307215
Energy: 0.6290274944293794
Energy: 0.6619601147561953
Energy: 0.7285614886267285
Energy: 0.6516645793164227
Energy: 0.6187016753400199
Energy: 0.6289856885645949
Energy: 0.7347628313034317
Energy: 0.6828491041783686
Energy: 0.5660577707713874
Energy: 0.5656500656689438
Energy: 0.5828154173185676
Energy: 0.662958420614862
Energy: 0.7027629912285716
Energy: 0.6244426520702746
Energy: 0.6121450657198829
Energy: 0.7102603786456972
Energy: 0.7331098561770396
Energy: 0.759584558577868
Energy: 0.7178549672711304
Energy: 0.7194086142248525
Energy: 0.7273900603940618
Energy: 0.7419413692619625
Energy: 0.7708661474843734
Energy: 0.6260093825654007
Energy: 0.6427222958782983
Energy: 0.6946235323884052
Energy: 0.7468911947179016
Energy: 0.7326784509657109
Energy: 0.6098367405278431
Energy: 0.7554619704921108
Energy: 0.7125047627821111
Energy: 0.670131112597175
Energy: 0.685350208189285
Energy: 0.7683365093616076
Energy: 0.707439089722321
Energy: 0.7107056024787817
Energy: 0.7348436585023204
Energy: 0.7061222240355183
Energy: 0.6528143529906822
Energy: 0.6302496640387786
Energy: 0.6999197241248487
Energy: 0.6822916312724454
Energy: 0.6705298834411964
Energy: 0.6719929638096034
Energy: 0.7151623647563776
Energy: 0.6996197765321869
Energy: 0.6665431813563135
Energy: 0.7125427341103783
Energy: 0.6656744241472269
Energy: 0.6267144100946734
Energy: 0.6309068884692297
Energy: 0.7732320011065646
Energy: 0.6411644924218011
Energy: 0.7466261723570762
Energy: 0.6298311963332983
Energy: 0.6262444758432542
Energy: 0.7110995659353244

minimum gb energy = 0.5359402465572476 eV
minimum distance =  2.46198989530717 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

Energy: 1.0163514755500638
Energy: 0.7301947325533444
Energy: 0.734101747329124
Energy: 0.6331037095390298
Energy: 0.725496345035722
Energy: 0.7770133687608461
Energy: 0.7326652409235046
Energy: 0.7296225060146478
Energy: 0.7444727751128372
Energy: 0.7076577684828153
Energy: 0.6858531127799721
Energy: 0.6489677252592304
Energy: 0.6193130896550585
Energy: 0.6797043385545888
Energy: 0.6264382724922778
Energy: 0.6317697295136706
Energy: 0.7421954503028189
Energy: 0.6300803465293255
Energy: 0.6891164395951229
Energy: 0.6496996691446907
Energy: 0.687489586023933
Energy: 0.7794391932650301
Energy: 0.7814105872105307
Energy: 0.6774902869717234
Energy: 0.6418289102474046
Energy: 0.7003533160054064
Energy: 0.7793218222922373
Energy: 0.7796808133635399
Energy: 0.6582518075238027
Energy: 0.6389276174191656
Energy: 0.6401034642275567
Energy: 0.7000281584557498
Energy: 0.6367140992425694
Energy: 0.6727706208984904
Energy: 0.6309111562175831
Energy: 0.6762161181178535
Energy: 0.7021098652982528
Energy: 0.6694466267448363
Energy: 0.6673723139942341
Energy: 0.6307436841610157
Energy: 0.6600826505777996
Energy: 0.722609250465485
Energy: 0.6219274458478897
Energy: 0.7437060262318931
Energy: 0.6273133400586264
Energy: 0.6626489477824656
Energy: 0.7225403998658682
Energy: 0.73814872499649
Energy: 0.7435932394116015
Energy: 0.6331464268613191
Energy: 0.611477227438184
Energy: 0.7571685928470949
Energy: 0.729525698975731
Energy: 0.7398657432201556
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Energy: 0.6149630206168583
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Energy: 0.6301791125616317
Energy: 0.7376727519346563
Energy: 0.6517466977510282
Energy: 0.6305553790418356
Energy: 0.67947756367912
Energy: 0.7165572703356372
Energy: 0.6390584366278053
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Energy: 0.6149150672861919
Energy: 0.6716304322388434
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Energy: 0.6478176196613088
Energy: 0.6405872332363876
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Energy: 0.7792328080246648
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Energy: 0.62301888478594
Energy: 0.6374212244261537
Energy: 0.7131739828914032
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Energy: 0.779514105382748
Energy: 0.6070295637299039
Energy: 0.6308009810407734
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Energy: 0.6650985445690233
Energy: 0.6309710165286266
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Energy: 0.6071242252166213
Energy: 0.6531986879503753
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Energy: 0.7371223313614205
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Energy: 0.7849691309707875
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Energy: 0.6280209801351782
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Energy: 0.6319339904933927
Energy: 0.6100741235622626
Energy: 0.7828821432363221
Energy: 0.6376049718353716
Energy: 0.7558289754416829
Energy: 0.6534194033231705
Energy: 0.606630008620674
Energy: 0.6769908589471213
Energy: 0.7060397539179315
Energy: 0.7087058445921486
Energy: 0.6390081291360207
Energy: 0.6011971158942258
Energy: 0.8006949414710323
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Energy: 0.6530520539893414
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Energy: 0.7006035704522732
Energy: 0.7796794696259461
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Energy: 0.6321277036594635
Energy: 0.7091664405496928
Energy: 0.7797904234141358
Energy: 0.7169754611845783
Energy: 0.6573225795879402
Energy: 0.5912805403438088
Energy: 0.5937630894146968
Energy: 0.6315853828983096
Energy: 0.700694487217361
Energy: 0.6563817004252065
Energy: 0.6086859061189319
Energy: 0.5955342017017676
Energy: 0.630642936465701
Energy: 0.6918575119995335
Energy: 0.7840842701913929
Energy: 0.7462381849063972
Energy: 0.6825877656651506
Energy: 0.6136270897425279
Energy: 0.7333520800890881
Energy: 0.783308150696435
Energy: 0.741173364338736
Energy: 0.6266381764133387
Energy: 0.6587467513044905
Energy: 0.7340182802666616
Energy: 0.754684120800618
Energy: 0.6243909389032848
Energy: 0.6098367870525324
Energy: 0.7332664426513833
Energy: 0.634948786930161
Energy: 0.7520240490959331
Energy: 0.6267051273880263
Energy: 0.6156722539973086
Energy: 0.689732884363448
Energy: 0.6322322239610606
Energy: 0.6509384804038523
Energy: 0.63290190052017
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Energy: 0.5840022431201938
Energy: 0.6373565440428954
Energy: 0.6448190420801281
Energy: 0.6231013033323
Energy: 0.6290507587271694
Energy: 0.6136249943518644
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Energy: 0.6430102287301374
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Energy: 0.6321629187555505
Energy: 0.6782176636982893
Energy: 0.7800673382969332
Energy: 0.6991480447881376
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Energy: 0.6759232186275199
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Energy: 0.6027402034515688
Energy: 0.617972853936378
Energy: 0.7031483000351344
Energy: 0.6548934117903777
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minimum gb energy = 0.5770811706531032 eV
minimum distance =  2.52183870062176 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 0.6750865234459559
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Energy: 0.6715757270316294
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Energy: 0.6928373177022519
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Energy: 0.7254187187921626
Energy: 0.6721233010102098
Energy: 0.6759720755250991
Energy: 0.7236680412109926
Energy: 0.6819894211246469
Energy: 0.7239163047184318
Energy: 0.6731601349075307
Energy: 0.6676029715679856
Energy: 0.6535531509862397
Energy: 0.6848985871414224
Energy: 0.70872690303499
Energy: 0.8174838291356481
Energy: 0.6684205001841895
Energy: 0.6514918458605187
Energy: 0.6824306733628915
Energy: 0.6899385947920263
Energy: 0.6590838746987071
Energy: 0.7307667826323524
Energy: 0.6701960445477576
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Energy: 0.6686790758959194
Energy: 0.6628300984307264
Energy: 0.7158410861127841
Energy: 0.6664996863266757
Energy: 0.6623624595624288
Energy: 0.6663151300740251
Energy: 0.6555137969192051
Energy: 0.7011377940408573
Energy: 0.6326812030987301
Energy: 0.6676392256278896
Energy: 0.6753400946702931
Energy: 0.7043757201156934
Energy: 0.6921693945370557
Energy: 0.6317068602892748
Energy: 0.6683574529182894
Energy: 0.6795566463768535
Energy: 0.7081249828874069
Energy: 0.6844960878004765
Energy: 0.6318759788872844
Energy: 0.7640484244921331
Energy: 0.756485239660441
Energy: 0.7082075397760662
Energy: 0.6581587999344896
Energy: 0.743434914536575
Energy: 0.7588389597890507
Energy: 0.7562593959320189
Energy: 0.7366298049241269
Energy: 0.6738160095399536
Energy: 0.6667774255678183
Energy: 0.682612947802811
Energy: 0.6541788564935056
Energy: 0.6928453015326365
Energy: 0.6699997529732816
Energy: 0.6582736337719356
Energy: 0.6769399315899225
Energy: 0.685474761394477
Energy: 0.6946312079024678
Energy: 0.6569046757570967
Energy: 0.6233446630466984
Energy: 0.6223904739608189
Energy: 0.6210538773061328
Energy: 0.6236429253701209
Energy: 0.8186962546548053
Energy: 0.6417601180942658
Energy: 0.6259166375662781
Energy: 0.6205211814258162
Energy: 0.7169434519296034

minimum gb energy = 0.6078656436106573 eV
minimum distance =  2.48318553768072 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 0.7210786046470737
Energy: 0.6398064296953905
Energy: 0.6759791295126429
Energy: 0.6608053918101653
Energy: 0.6506703602472166
Energy: 0.721873930211755
Energy: 0.6479730722570887
Energy: 0.6757069858164522
Energy: 0.661961280806118
Energy: 0.650772990567739
Energy: 0.7128943805704596
Energy: 0.6810767122500153
Energy: 0.6728008888448632
Energy: 0.6381767209889979
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Energy: 0.7795800588839334
Energy: 0.6768218021297786
Energy: 0.644630588225163
Energy: 0.651871976749973
Energy: 0.6625329216040926
Energy: 0.6554369739289049
Energy: 0.6809494257947227
Energy: 0.6609742010215317
Energy: 0.6549741122987016
Energy: 0.6510468690524751
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Energy: 0.7201397536783875
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Energy: 0.6458908469856339
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Energy: 0.7087891772885732
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Energy: 0.6560059054743526
Energy: 0.6655798015976176
Energy: 0.6603552110237491
Energy: 0.6698843250808204
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Energy: 0.6556313432136769
Energy: 0.6665764079906557
Energy: 0.6780801792098436
Energy: 0.6756973754103749
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Energy: 0.7249058905252304
Energy: 0.6557201002226493
Energy: 0.6546590352580428
Energy: 0.6668369489156634
Energy: 0.7636357530168406
Energy: 0.7246227525429856
Energy: 0.6712438641913278
Energy: 0.7157848606441888
Energy: 0.6629199598304395
Energy: 0.6542357002532813
Energy: 0.7192173310272914
Energy: 0.6537857495030286
Energy: 0.707514237423817
Energy: 0.6545138445348019
Energy: 0.6541300074890396
Energy: 0.6511213835058475
Energy: 0.7619522989317861
Energy: 0.8131839365423612
Energy: 0.6464999202791832
Energy: 0.6433367879782285
Energy: 0.6098329949655463
Energy: 0.8033853251634627
Energy: 0.7161385252058999
Energy: 0.6387319965473799
Energy: 0.6433712923129644
Energy: 0.6092428042392942
Energy: 0.6461972110804292
Energy: 0.7059957103754534
Energy: 0.6665795483753627
Energy: 0.6001666179784805
Energy: 0.6376700678484617
Energy: 0.6475734204927207
Energy: 0.7823497603964175
Energy: 0.6457889352697588
Energy: 0.5999614723871883
Energy: 0.6388735633046502
Energy: 0.6511699834633106
Energy: 0.6629522158394278
Energy: 0.6651736661039075
Energy: 0.6565915413818466
Energy: 0.6642609401099274
Energy: 0.6512695484024172
Energy: 0.6627283005623947
Energy: 0.6652508463525896
Energy: 0.6581477145708216
Energy: 0.670272943899832

minimum gb energy = 0.5986894417354559 eV
minimum distance =  2.58379835508279 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 0.718747900176486
Energy: 0.6655783333082815
Energy: 0.6379305449712696
Energy: 0.6033309679036655
Energy: 0.705016132698351
Energy: 0.6050963672044467
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Energy: 0.7043828672980911
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Energy: 0.6364365314924433
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Energy: 0.6173853635271637
Energy: 0.6163910241113592
Energy: 0.6913453196816968
Energy: 0.6672366393028348
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Energy: 0.6165394392614175
Energy: 0.6168634826851637
Energy: 0.6543092467382761
Energy: 0.7099193253791619
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Energy: 0.6210380804917428
Energy: 0.6904187408145521
Energy: 0.710959760157161
Energy: 0.6134395798109616
Energy: 0.6194546366879486
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Energy: 0.6683753009098288
Energy: 0.624146445617047
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Energy: 0.6674332905088348
Energy: 0.6325402835908315
Energy: 0.6278185783134328
Energy: 0.6639905267530608
Energy: 0.6397738987875671
Energy: 0.6679083317527583
Energy: 0.6689125353831575
Energy: 0.722436925019726
Energy: 0.5953765418630235
Energy: 0.5896135446812056
Energy: 0.5883577911323273
Energy: 0.6816581537621184
Energy: 0.6967030297113237
Energy: 0.5995267340147982
Energy: 0.5891849618932282
Energy: 0.5917043775203252
Energy: 0.643330902942051
Energy: 0.6195031780733822
Energy: 0.5892852946747362
Energy: 0.6047219471784124
Energy: 0.6141097894324666
Energy: 0.636835720599168
Energy: 0.7431724147120029
Energy: 0.5903614103088627
Energy: 0.6300568466878119
Energy: 0.5949748755829948
Energy: 0.5922542374938954
Energy: 0.6824717552553474
Energy: 0.654702001345587
Energy: 0.6342600424874343
Energy: 0.5814836135325886
Energy: 0.686180062579973
Energy: 0.6099211818864798
Energy: 0.624276658413158
Energy: 0.628359351345227
Energy: 0.5974538925461573
Energy: 0.668358726835516
Energy: 0.6124062086835035
Energy: 0.6280953865110639
Energy: 0.6436538377982624
Energy: 0.627944657050386
Energy: 0.6817700455962149
Energy: 0.60283260659791
Energy: 0.6192987209560856
Energy: 0.629357730626219
Energy: 0.6424831200585441

minimum gb energy = 0.5814836135325886 eV
minimum distance =  2.56787657281994 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

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Energy: 0.6050692952976285
Energy: 0.550297931202601
Energy: 0.45030282395109866
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Energy: 0.3776446934141905
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Energy: 0.35652341596353065
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Energy: 0.6469699786645797
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Energy: 0.3626715866924268
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Energy: 0.48530116620426417
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Energy: 0.5117741346685707
Energy: 0.4823277676507223
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Energy: 0.5446827485412791
Energy: 0.5193675446832485
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Energy: 0.4088922599695127
Energy: 0.4474650994971684
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Energy: 0.3989742931016469
Energy: 0.4903703368733408
Energy: 0.49018491367306816
Energy: 0.5288010960934152
Energy: 0.4721347956332832
Energy: 0.3783793795974334
Energy: 0.4783950149303653
Energy: 0.49006321096072414
Energy: 0.461617174133694
Energy: 0.3773784078749274
Energy: 0.3763634290288479
Energy: 0.4942052497981189
Energy: 0.6007950659234856
Energy: 0.4847710569960649
Energy: 0.41064967889673853
Energy: 0.39697372559545646
Energy: 0.5018325420290467
Energy: 0.6583938572163736
Energy: 0.4487747495564376
Energy: 0.4688844564627359
Energy: 0.47784658283050285
Energy: 0.49249112415794644
Energy: 0.4601333042724427
Energy: 0.4627137115209452
Energy: 0.4454204248483436
Energy: 0.41545197348059093
Energy: 0.5449901255435815
Energy: 0.5527364016015309
Energy: 0.47551815711648365
Energy: 0.4518758072398683
Energy: 0.5019653546848406
Energy: 0.5114645345786458
Energy: 0.46793079908213614
Energy: 0.41596245942465715
Energy: 0.3654320723864446
Energy: 0.4269430001032905
Energy: 0.463305643112366
Energy: 0.662991186289046
Energy: 0.450592627502362

minimum gb energy = 0.33664532421735355 eV
minimum distance =  2.63464042932605 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 0.7928585591784933
Energy: 0.5853127462036748
Energy: 0.5756067098594956
Energy: 0.5763226489089439
Energy: 0.6135225834082282
Energy: 0.5822940909627926
Energy: 0.5680418523906464
Energy: 0.5780382616668724
Energy: 0.5516440783030869
Energy: 0.620458520938433
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Energy: 0.5561333925848494
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Energy: 0.5664015463074926
Energy: 0.5524980081094504
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Energy: 0.5753711361764577
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Energy: 0.5674880309885024
Energy: 0.5950245372226247
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Energy: 0.5565953920191328
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Energy: 0.5790995378790512
Energy: 0.5874859345544868
Energy: 0.6078561396583111
Energy: 0.6284033662382716
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Energy: 0.5759604387434222
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Energy: 0.592173357808598
Energy: 0.690430529118159
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Energy: 0.6848273201342215
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Energy: 0.5967427626559676
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Energy: 0.5821858340077836
Energy: 0.6210800294576544
Energy: 0.629615399974673
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Energy: 0.6514112172540488
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Energy: 0.5966961053528094
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Energy: 0.5746429434963779
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Energy: 0.7149359756667409
Energy: 0.5997312777888503
Energy: 0.574682706265024
Energy: 0.5510530330666366
Energy: 0.5891287517882458

minimum gb energy = 0.5342784508423759 eV
minimum distance =  2.51704323050652 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

Energy: 0.8346288230562988
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Energy: 0.6547620842191031
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Energy: 0.6631812094745501
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Energy: 0.6814993530063808
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Energy: 0.752839449921135
Energy: 0.7257301694839421
Energy: 0.6560627121189948
Energy: 0.6286629203673367
Energy: 0.6806347150043796

minimum gb energy = 0.6135555190817855 eV
minimum distance =  2.58129624562653 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

Energy: 0.9679114808173909
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Energy: 0.717656769226238
Energy: 0.7153645531471372
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Energy: 0.7486729615464848
Energy: 0.6841560263466464
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minimum gb energy = 0.651483477897087 eV
minimum distance =  2.50894390819605 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 0.7306170312602261
Energy: 0.6905387830501453
Energy: 0.6970336436957116
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Energy: 0.7553815548510603
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Energy: 0.7671074242630982
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Energy: 0.689535473007529
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Energy: 0.6371408369764912
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Energy: 0.6793590132100827
Energy: 0.6693697689061631
Energy: 0.684600506417865
Energy: 0.7064049150498274
Energy: 0.7054221710797278
Energy: 0.7087282698621089
Energy: 0.6308997938163724
Energy: 0.7106480886313178
Energy: 0.7724096144209518
Energy: 0.7061644608768837
Energy: 0.7006854161851692
Energy: 0.824984521016569
Energy: 0.6668441521700419
Energy: 0.6431035308505312
Energy: 0.7063265244113007
Energy: 0.7088508027201028
Energy: 0.6231350851750135
Energy: 0.6443211964776567
Energy: 0.6654708558081024
Energy: 0.7043024445224814
Energy: 0.7119145879432207
Energy: 0.6246063241052989
Energy: 0.6672554319727458
Energy: 0.6447982746159127
Energy: 0.6952595050494754
Energy: 0.710577952198273
Energy: 0.6985584270222392
Energy: 0.6667462722719788
Energy: 0.643339034313618
Energy: 0.6919544073946803
Energy: 0.7051975518516698
Energy: 0.6957855291553392
Energy: 0.6997687959910589
Energy: 0.6672114555076782
Energy: 0.7267729127203993
Energy: 0.8157634452168842
Energy: 0.6963498312806891
Energy: 0.6983886422878305
Energy: 0.6743112888770121
Energy: 0.6962584880501667
Energy: 0.8343476456926213
Energy: 0.6955009697954885
Energy: 0.670833879774208
Energy: 0.6491670561882178
Energy: 0.6677376865893284
Energy: 0.7023841646376634
Energy: 0.7056236830009209
Energy: 0.6496439536284948
Energy: 0.6508689431511636
Energy: 0.668942656098373
Energy: 0.6818217053988032
Energy: 0.7091305529756943
Energy: 0.7264201651410949
Energy: 0.713787528615973
Energy: 0.7219944940209013
Energy: 0.7651832559778085
Energy: 0.7322947553090796
Energy: 0.689689868175088
Energy: 0.7081527040223585
Energy: 0.7214373224749279
Energy: 0.6911003208623943
Energy: 0.7306286006362451
Energy: 0.6474420293794056
Energy: 0.7680156578165057
Energy: 0.7495796320769446
Energy: 0.7284171101854532
Energy: 0.711863516124141
Energy: 0.8271679410359446
Energy: 0.6803032844064637
Energy: 0.7477767454985479
Energy: 0.6442698362289799
Energy: 0.6916281111519926

minimum gb energy = 0.6199841294236791 eV
minimum distance =  2.53490876282475 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 0.56186041469399
Energy: 0.5795760283220461
Energy: 0.6856090726265424
Energy: 0.7120017843197779
Energy: 0.5640869184219229
Energy: 0.5626013825689968
Energy: 0.671501939929174
Energy: 0.6853168881773655
Energy: 0.6989374455136423
Energy: 0.5637132454882309
Energy: 0.5946198781353197
Energy: 0.5815124773410837
Energy: 0.5797822025238552
Energy: 0.6681127861905755
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Energy: 0.563463092982219
Energy: 0.6597840709318245
Energy: 0.6729614252845714
Energy: 0.5834247917902049
Energy: 0.6660052921174163
Energy: 0.58113962356341
Energy: 0.6665605852949745
Energy: 0.6480959830169188
Energy: 0.5798923540749916
Energy: 0.6606763955671179
Energy: 0.5813252760193764
Energy: 0.6585547140886805
Energy: 0.6592432355098646
Energy: 0.6552905880846502
Energy: 0.6260170758597874
Energy: 0.5641107401462798
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Energy: 0.5815119560331649
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Energy: 0.5638408965898324
Energy: 0.5810780295753384
Energy: 0.5740836292950822
Energy: 0.5818702977928721
Energy: 0.7074679788047963
Energy: 0.6727834851632278
Energy: 0.5804648685828637
Energy: 0.573381897146827
Energy: 0.744805738807793
Energy: 0.6312179415747515
Energy: 0.6730609541145477
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Energy: 0.59400915931941
Energy: 0.6586682272706224
Energy: 0.5641120417949557
Energy: 0.5639867126353334
Energy: 0.6614693571496459
Energy: 0.699182433234923
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Energy: 0.5656030287301331
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Energy: 0.5814389722609886
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Energy: 0.632203911040811
Energy: 0.5818159459006018
Energy: 0.5792955923316031
Energy: 0.6662915276800253
Energy: 0.5644873184955909
Energy: 0.6487560091374828
Energy: 0.5801642515167151
Energy: 0.5809480519640045
Energy: 0.712067918202368
Energy: 0.5806343261209714
Energy: 0.6601285229577974
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Energy: 0.5618455250234217
Energy: 0.5795894038596473
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Energy: 0.6912900341085575
Energy: 0.5642264035460185
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Energy: 0.6717278377459629
Energy: 0.6849401128362868
Energy: 0.6790042531139595
Energy: 0.5636814367965571
Energy: 0.5953873880146621
Energy: 0.5817026513343585
Energy: 0.5790619664891573
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Energy: 0.6320337369749296
Energy: 0.5813732576803097
Energy: 0.5633567820366883
Energy: 0.6653950814584262
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Energy: 0.5798248792427889
Energy: 0.67198730527589
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Energy: 0.6554327049860577
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Energy: 0.5638174395371458
Energy: 0.5794236484906385
Energy: 0.6578753736230665
Energy: 0.6577746657482786
Energy: 0.5646363675014572
Energy: 0.5637794720056689
Energy: 0.5802364727656177
Energy: 0.6697205250702115
Energy: 0.6865502609348381
Energy: 0.5638831314497483
Energy: 0.5641467563219942
Energy: 0.6757111433051761
Energy: 0.5815988375469101
Energy: 0.6650311149038558
Energy: 0.5637284991988767
Energy: 0.5642876537085135
Energy: 0.6736753594337379
Energy: 0.5804407318976719
Energy: 0.671491941481396
Energy: 0.6614523627689591
Energy: 0.7057121852662166
Energy: 0.5802194471610028
Energy: 0.5634813888851453
Energy: 0.682765554960545
Energy: 0.6623104507131031
Energy: 0.7120115792901883
Energy: 0.5803623006227385
Energy: 0.5638300311537748
Energy: 0.5812442389275533
Energy: 0.5740840051981028
Energy: 0.5812284715132816
Energy: 0.7191402082710026
Energy: 0.6733371402582585
Energy: 0.5803875816884045
Energy: 0.5735792618760365
Energy: 0.5814584304133843
Energy: 0.6310890282169163
Energy: 0.6739425130164581
Energy: 0.6718349748789662
Energy: 0.7320318010963496
Energy: 0.5807374724879877
Energy: 0.5639749107518875
Energy: 0.5643113540143496
Energy: 0.5802709374126593
Energy: 0.7180470242187103
Energy: 0.5802758811504318
Energy: 0.5647554670388037
Energy: 0.5636942200384077
Energy: 0.5812825619234638
Energy: 0.5638397732946768
Energy: 0.6609660188546321
Energy: 0.5645050120106389
Energy: 0.6326377517997569
Energy: 0.5816959963821482
Energy: 0.5788423966073202
Energy: 0.670941159558815
Energy: 0.5646983836121517
Energy: 0.6435261013787844
Energy: 0.5809259649573437
Energy: 0.5811920460820064
Energy: 0.7175971917094323
Energy: 0.5809253783851827
Energy: 0.6595845855294364
Energy: 0.5804286974073164
Energy: 0.5815380456734413
Energy: 0.6777949105608325
Energy: 0.5803398764457918
Energy: 0.6656975360866718
Energy: 0.6256241289455752
Energy: 0.6710780896735778
Energy: 0.5791174217063537
Energy: 0.5800718362911463
Energy: 0.6318832314704367
Energy: 0.6253997600772839
Energy: 0.6715929342161422
Energy: 0.573137603421445
Energy: 0.5803245588353266
Energy: 0.6312472608077625

minimum gb energy = 0.5618455250234217 eV
minimum distance =  2.56281791609469 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 1.0496581858059044
Energy: 0.6741154268640126
Energy: 0.6995185419166422
Energy: 0.7305579419206907
Energy: 0.6500105481637222
Energy: 0.6438168319803607
Energy: 0.6509388478374261
Energy: 0.7152250679962532
Energy: 0.75578362469079
Energy: 0.6245255796496246
Energy: 0.6959651053734094
Energy: 0.6968260271286163
Energy: 0.6594415989128473
Energy: 0.6467471016406544
Energy: 0.759868551791417
Energy: 0.6850427444987146
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Energy: 0.649309814488561
Energy: 0.6510035221633785
Energy: 0.7590671227700804
Energy: 0.7251552780837591
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Energy: 0.6867987795468308
Energy: 0.6761219892469423
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Energy: 0.7343409076128562
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Energy: 0.6590464328431208
Energy: 0.6951960026151097
Energy: 0.70981634297277
Energy: 0.6798712024730014
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Energy: 0.725282363956118
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Energy: 0.6696255533644098
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Energy: 0.6766595829868783
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Energy: 0.7052173383222241
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Energy: 0.6941538193814041
Energy: 0.631026887223728
Energy: 0.6362220079679102
Energy: 0.7059469383338621
Energy: 0.6374209863061284
Energy: 0.6865168550667898
Energy: 0.6244452566657672
Energy: 0.6374100629067916
Energy: 0.7218870405592461
Energy: 0.6889607273897641
Energy: 0.6415449087082139
Energy: 0.6309925958763042
Energy: 0.7267598044428053
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Energy: 0.6560047837228377
Energy: 0.6422039459652661
Energy: 0.6734152919252304
Energy: 0.7245098886021388
Energy: 0.7340551855734282
Energy: 0.694601649845982
Energy: 0.6349043897868449
Energy: 0.7276324431159068
Energy: 0.730348184926664
Energy: 0.7264219548247468
Energy: 0.6894197931970953
Energy: 0.7922019499320679
Energy: 0.7040527610553615
Energy: 0.7083224124265867
Energy: 0.7070119121970841
Energy: 0.7024448380441058
Energy: 0.7554796013971578
Energy: 0.7067117760010863
Energy: 0.7113695353730165
Energy: 0.7652676326739754
Energy: 0.6999186342271284
Energy: 0.7342469170719361
Energy: 0.6337525437336846
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Energy: 0.6802695451385723
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Energy: 0.6990204783056674
Energy: 0.6942625810743549
Energy: 0.6332933212899367
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Energy: 0.6982295583160496
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Energy: 0.6383390220604025
Energy: 0.7106948751964575
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Energy: 0.7213586207014745
Energy: 0.7774621251070178
Energy: 0.6757146657313383
Energy: 0.6316084772245351
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Energy: 0.6869037742652366
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Energy: 0.6722291670253817
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Energy: 0.6989199633597589
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Energy: 0.6335210091558225
Energy: 0.7152656362945827
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Energy: 0.6340844291279413
Energy: 0.6449921029670308
Energy: 0.7228520468453483
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Energy: 0.6900397655258059
Energy: 0.6325444504487936
Energy: 0.6392714598056137
Energy: 0.6326294293657494
Energy: 0.6723929340334355
Energy: 0.7455581068978357
Energy: 0.6303251117018681
Energy: 0.6327651982473251
Energy: 0.6303255146272936
Energy: 0.6640714827595701
Energy: 0.71874684395019
Energy: 0.6323884836433791
Energy: 0.6315206793991459
Energy: 0.6607323990307464
Energy: 0.6559608302879286
Energy: 0.640698037608144
Energy: 0.6997878424157191
Energy: 0.734549908833034
Energy: 0.7085982000116835
Energy: 0.6556131097157869
Energy: 0.6385631477298281
Energy: 0.7037674512702988
Energy: 0.7474976085522316
Energy: 0.6364330092013751
Energy: 0.6625923096229629
Energy: 0.7224984987281727
Energy: 0.7536071427304902
Energy: 0.6900842146504288
Energy: 0.6449161156285154
Energy: 0.6849248907825715
Energy: 0.7375114366761909
Energy: 0.7522045262186484
Energy: 0.6711009389312381
Energy: 0.6480039959775817
Energy: 0.6365817479729617
Energy: 0.6738835413714266
Energy: 0.76793953239906
Energy: 0.70908023933402
Energy: 0.651198123486384
Energy: 0.6420777189147882
Energy: 0.6918360226872803
Energy: 0.6500763015240638
Energy: 0.7046436365035142
Energy: 0.6953155161566191
Energy: 0.6350188326546586
Energy: 0.7064699897261394
Energy: 0.7060785539854613
Energy: 0.70723318577649
Energy: 0.6450411129113027
Energy: 0.6746387628763468
Energy: 0.707442551238623
Energy: 0.6562124663213633
Energy: 0.7110838320548946
Energy: 0.6951806710856436
Energy: 0.7415508450274915
Energy: 0.772426262332777
Energy: 0.6984121721366537
Energy: 0.6288199897826672
Energy: 0.6695947310524122
Energy: 0.751994655489981
Energy: 0.7253651112352688
Energy: 0.6718247285037956
Energy: 0.6458168608980971

minimum gb energy = 0.6180662174476517 eV
minimum distance =  2.52710703577364 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 0.8039926063529784
Energy: 0.6116358909205585
Energy: 0.6765782565258621
Energy: 0.682849338810394
Energy: 0.6182066387164522
Energy: 0.804539112352119
Energy: 0.6156460808891664
Energy: 0.7011530855764294
Energy: 0.7196268014656623
Energy: 0.7058156790520862
Energy: 0.6096456291756432
Energy: 0.7278991875098796
Energy: 0.6864468525767311
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Energy: 0.6799926438728299
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Energy: 0.6836562289993053
Energy: 0.6583594668100173
Energy: 0.6882717380944202
Energy: 0.7630625885539403
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Energy: 0.6590032056565623
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Energy: 0.6973203965022303
Energy: 0.6446688089381468
Energy: 0.6716073351766337
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Energy: 0.8245136766357024
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Energy: 0.7415313451846652
Energy: 0.6644115386265153
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Energy: 0.6425054396851116
Energy: 0.6614464258390595
Energy: 0.7552284701304418
Energy: 0.7112057258251756
Energy: 0.6768214608418681
Energy: 0.6639260294825254
Energy: 0.7481748851499603
Energy: 0.7581498249755585
Energy: 0.7000524465704062
Energy: 0.6599455754079261
Energy: 0.6647003848562959
Energy: 0.7489744712294869
Energy: 0.7273178620597539
Energy: 0.6304097565293704
Energy: 0.7466226596954503
Energy: 0.7791344190663771
Energy: 0.7639879883236295
Energy: 0.6666233554005089
Energy: 0.6317435513848569
Energy: 0.7454009714831962
Energy: 0.7225662802631617
Energy: 0.7682105723820675
Energy: 0.6657885183856797
Energy: 0.7068179574169678
Energy: 0.7455266988035266
Energy: 0.692503607423574
Energy: 0.7956575934963327
Energy: 0.7648693824024806
Energy: 0.7227471110994799
Energy: 0.7453144860612003
Energy: 0.6953432943511314
Energy: 0.8142346566031055
Energy: 0.7542916132069849
Energy: 0.6071856955392196
Energy: 0.6328975569581851
Energy: 0.7263687416955269
Energy: 0.8072952848820569
Energy: 0.7931803306473213
Energy: 0.6068711272437813
Energy: 0.6173205062639167
Energy: 0.7549236829566841
Energy: 0.8075746974805098
Energy: 0.7569830410467601
Energy: 0.6116663510675441
Energy: 0.610725720632641
Energy: 0.6548864049281473
Energy: 0.8013487311705149
Energy: 0.6074885314986789
Energy: 0.6102773536585234
Energy: 0.6113210915122949
Energy: 0.7027315861745118
Energy: 0.781045734268359
Energy: 0.6188339652068778
Energy: 0.6111580649328017
Energy: 0.6754803715159987
Energy: 0.7460598985839793
Energy: 0.7622130488018631
Energy: 0.70060995065774
Energy: 0.6151494341535457
Energy: 0.6698739799078749
Energy: 0.7465482331594215
Energy: 0.7663422196321893
Energy: 0.7031577479048656
Energy: 0.6853051416716488
Energy: 0.7314439506959118
Energy: 0.7689448424495974
Energy: 0.6423903227030173
Energy: 0.6167648757059486
Energy: 0.6886537608447748
Energy: 0.7323683616886988
Energy: 0.7713707338324316
Energy: 0.6472739647989657
Energy: 0.7110107671170599

minimum gb energy = 0.6068711272437813 eV
minimum distance =  2.51003035983515 Angstroms
sigma value = 33