Model name: model_name=MEAM_LAMMPS_LeeBaskesKim_2001_Fe__MO_196726067688_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.567322969436645
cohesive_energy=4.225801906680588
mass=55.845
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, 3.1107861525744e-19, 3.7156078319094e-19, 4.17195580257162e-19, 4.55479590926592e-19, 4.8827134009467e-19, 5.16706770994902e-19, 5.4154371317517e-19, 5.63323702337766e-19, 5.8244728264119e-19, 5.9922207199917e-19, 6.138932034367079e-19, 6.2665934685642e-19, 6.376839242749739e-19, 6.471047228828939e-19, 6.550387015744619e-19, 6.61588399654254e-19, 6.668387324838719e-19, 6.70866604541748e-19, 6.737425115997779e-19, 6.7552573419342e-19, 6.7627074632823e-19, 6.762723485048639e-19, 6.769949301667979e-19, 6.75839760813684e-19, 6.725937509532e-19, 6.6767667086345385e-19, 6.610212291258179e-19, 6.523101947667599e-19, 6.41162249747388e-19, 6.27111160667208e-19, 6.09594563527686e-19, 5.879203180229339e-19, 5.61237668360298e-19, 5.284939844912399e-19, 4.8836747069271e-19, 4.39203078501786e-19, 3.78887536938222e-19, 3.04714769667192e-19, 2.1316799897706597e-19, 9.96319948559436e-20, -4.2045600970735195e-20, -2.2017271522091395e-19, -4.46191772979294e-19, -7.361280653744699e-19, -1.1129696227510739e-18, -1.6105079524967998e-18, -2.27999348078004e-18, -3.20180580715194e-18, -4.50773998152534e-18, -6.42517691179752e-18, -9.373085787759479e-18, -1.419188836277592e-17, -2.2771896716705398e-17]
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: 0.01893618195951415
Energy: -0.004114461849059204
Energy: 0.10174813577850897
Energy: 0.09010121519405707
Energy: -0.008432297998766944
Energy: 0.013919659397443147
Energy: 0.09738972068160592
Energy: 0.09147137905658077
Energy: 0.09968274272293946
Energy: 0.011653420203568046
Energy: -0.011874693722923395
Energy: 0.1200379463580416
Energy: 0.09460834671766875
Energy: 0.12682750885136304
Energy: 0.10828266350472551
Energy: 0.09729626764114299
Energy: 0.12027952260187609
Energy: 0.0967503122136444
Energy: 1.2175196539530173
Energy: 0.11886038809970076
Energy: 0.1030430233184769
Energy: -0.029690305872959514
Energy: -0.011588681034411626
Energy: 0.11203161352209413
Energy: 0.0938862007733105
Energy: 0.10181907389001323
Energy: 0.01213967107643212
Energy: 0.019059041458410527
Energy: 0.10992960211206354
Energy: 0.09606864349076358
Energy: 0.10626225015489119
Energy: 0.04651662615210026
Energy: -0.07139009996980063
Energy: 0.11516763412750024
Energy: 0.08885581928221303
Energy: 0.10851202641791903
Energy: 0.12489721769147477
Energy: -0.03503432804599219
Energy: 0.1301381840790764
Energy: 0.09992041836197152
Energy: 0.10806704616967173
Energy: 0.08958379045452534
Energy: 0.12117793045356728
Energy: -0.0044911120352641104
Energy: 0.05539345328266811
Energy: 0.11007875705756062
Energy: 0.09759415890595725
Energy: 0.10903844682882029
Energy: -0.045872316457099584
Energy: 0.12750518433018498
Energy: 0.10453693541240978
Energy: 1.177175102534309
Energy: 0.10986791187352403
Energy: 0.030646596738363483
Energy: -0.02080872413959798
Energy: 0.10921349278233121
Energy: 1.1783774244398406
Energy: 0.1165155020430103
Energy: 0.021665800637178007
Energy: 0.01774097583123605
Energy: -0.020894861703582318
Energy: 0.12883663649659616
Energy: 0.10770380785178478
Energy: 0.09592859253619196
Energy: 0.12048382700104698
Energy: -0.009898366252534378
Energy: 0.13087916810123035
Energy: 0.11036812235961836
Energy: 0.0974028412189159
Energy: 0.12064379126860371

minimum gb energy = -0.07139009996980063 eV
minimum distance =  2.45375919489469 Angstroms
sigma value = 3


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

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Energy: 0.407330960545619
Energy: 0.5309889192306358
Energy: 0.3000601598567664
Energy: 0.2791900587299345
Energy: 0.16169505540799048
Energy: 0.2730752231368952
Energy: 0.284094588150501
Energy: 0.5298675080555596
Energy: 0.410979525856953
Energy: 0.5387807003721395
Energy: 0.9439746953708499
Energy: 0.5426111937543874
Energy: 0.41727369224599303
Energy: 0.3834134560540208
Energy: 0.5278102587120378
Energy: 0.7752566903584379
Energy: 0.9836104586176555
Energy: 0.5144764789869123
Energy: 0.6620853469463918
Energy: 0.5844842221905303
Energy: 0.4372018300981769
Energy: 0.5970201033693746
Energy: 0.22262802087842293
Energy: 0.20909413776978894
Energy: 0.22435462304905815
Energy: 0.4165806173036757
Energy: 0.6918351418930924
Energy: 0.21870277205968092
Energy: 0.59164125311869
Energy: 0.21462585108353122
Energy: 1.0976718413648938
Energy: 0.7833838629526856
Energy: 0.19134342608071817
Energy: 0.38958406278754854
Energy: 0.48780434132295925
Energy: 0.8515400307124138
Energy: 0.8004758328624102
Energy: 0.4092006896376502
Energy: 0.607010691356704
Energy: 0.7604801247926108
Energy: 0.9497449291742882
Energy: 0.6263816462783223
Energy: 0.7808842534351456
Energy: 0.8318597669286544
Energy: 0.7112876021732165
Energy: 0.5322686370870885
Energy: 0.43983242905220266
Energy: 0.9522763206266996
Energy: 0.5319960421243389
Energy: 0.5686939079355775
Energy: 0.5363819085991789
Energy: 0.581231242131966
Energy: 0.5084776172180927
Energy: 0.7381581054271399
Energy: 0.5738185282082953
Energy: 0.4780230416928298
Energy: 0.4940097888627707
Energy: 0.4028660914166225
Energy: 0.7420147857778808
Energy: 0.9252179168396705
Energy: 0.9219482262502986
Energy: 1.0389270690666907
Energy: 0.4760751849653459
Energy: 0.5979591331476413
Energy: 0.813726621716723
Energy: 0.8701305778666498
Energy: 0.8710252334098508
Energy: 0.3826474788911669
Energy: 0.5547787197141345
Energy: 0.5247132101327472
Energy: 0.5127743786512755
Energy: 0.45195561466451467
Energy: 0.4743063451916276
Energy: 0.5205107724106879
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Energy: 0.3962119920918622
Energy: 0.481861753704171
Energy: 0.9985317407693104
Energy: 0.5655209991838913
Energy: 0.5755423389516324
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Energy: 0.5999822682174178
Energy: 0.8733932439756616
Energy: 0.4639346139654224
Energy: 0.2772738705023864
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Energy: 0.9081155240432153
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Energy: 0.6055109349081793
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Energy: 0.9704727684341572
Energy: 0.6602333928329083
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Energy: 0.20523065010297645
Energy: 0.5516156007640646
Energy: 0.9663892368842392
Energy: 0.9021981234068845
Energy: 0.7319653114791953
Energy: 0.3769884983338506
Energy: 0.5626307572432873
Energy: 0.6081080643442057
Energy: 0.583911862014868
Energy: 0.46482650974865763
Energy: 0.4604567738551484
Energy: 0.5662195664465098
Energy: 0.6163436645069683
Energy: 0.5703206103687782
Energy: 0.4665659898570243
Energy: 0.4977154624627072
Energy: 0.9013045125467024
Energy: 0.6029150047382494
Energy: 0.955343012914172
Energy: 0.6119657161660969
Energy: 0.5268543140830866
Energy: 0.8866006025461927
Energy: 0.5876599527476392
Energy: 0.6249711255553689
Energy: 0.5272935979128005
Energy: 0.5800779412788737
Energy: 0.6533333438845614
Energy: 0.5988199069270622
Energy: 0.5802602881111543
Energy: 0.5268333167818792
Energy: 0.575969438191733
Energy: 0.8180847262132025
Energy: 0.30494074703031615
Energy: 0.5752633586143246
Energy: 0.5380697049364151
Energy: 0.5631396275088434
Energy: 0.8086090888447195
Energy: 0.7661457056013078
Energy: 0.5959530217907347
Energy: 0.34520909545803413
Energy: 0.5754407677045494
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Energy: 0.8368715335563016
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Energy: 0.659744909290931
Energy: 1.0032123342669494
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Energy: 0.8584674853923928
Energy: 0.944752741146657
Energy: 0.7207030486289543
Energy: 1.1301997810739306
Energy: 0.6083489559304521
Energy: 0.8839921967440391
Energy: 0.911054487687688
Energy: 0.5558300084562803
Energy: 0.47932047845949455
Energy: 0.43026253837149186
Energy: 0.3773530627999854
Energy: 0.465899940212473
Energy: 0.5578012709602139
Energy: 0.4901772720430347
Energy: 0.5424125064340899
Energy: 0.3038123963586602
Energy: 0.46669912149795545
Energy: 1.0224020342977806
Energy: 1.064305970582636
Energy: 0.8441541635597758
Energy: 0.38961413502714304
Energy: 0.5856745175053661
Energy: 0.8220471350587313
Energy: 1.06856111352111
Energy: 0.5732076895701174
Energy: 0.5155687111698237
Energy: 0.600036253042535
Energy: 1.121480259871232
Energy: 0.43810857836736017
Energy: 0.7826236303883233
Energy: 0.718421670210296
Energy: 0.48149460704204644
Energy: 0.544920140911866
Energy: 0.5367718747176699
Energy: 0.9093390914495106
Energy: 0.7639674447864789
Energy: 0.5400840054835789
Energy: 0.8840543669760145
Energy: 0.47246278527039964
Energy: 0.2688892900197603
Energy: 0.902033165315438
Energy: 0.4442035453847194
Energy: 0.8832997720318897
Energy: 0.5656990050068934
Energy: 0.47306983062050156
Energy: 0.9614404249551926
Energy: 0.4567101169924012
Energy: 0.5216455807812462
Energy: 0.5264611998751348
Energy: 0.3884915334793942
Energy: 0.38820394378311673
Energy: 0.7794068577789217
Energy: 0.21439925262961027
Energy: 0.3787025456363342
Energy: 0.5266071190197912
Energy: 0.8696510782875478
Energy: 0.31293296751876976
Energy: 0.7425224660959828
Energy: 0.37288925318171356
Energy: 0.45123834077391267
Energy: 0.381077370318273
Energy: 0.3119728895284518
Energy: 0.3925582654369384
Energy: 0.43730039185755465
Energy: 0.3686826144521389
Energy: 0.5239480277425113
Energy: 0.4924413168695409
Energy: 0.6932992529157236
Energy: 0.47456467648204304
Energy: 0.5942208087496811
Energy: 1.022407479936217
Energy: 0.6712539138193371
Energy: 0.9400765520171569
Energy: 0.24291746940117864
Energy: 0.6759483329021917
Energy: 0.965361472366653
Energy: 0.5309919944856486
Energy: 0.29339159120920233
Energy: 0.3647035687312021
Energy: 0.5614170065683121
Energy: 0.4569194402667599
Energy: 0.5543974491995706
Energy: 0.563174781024835
Energy: 0.7917564593870026
Energy: 0.30252731255744314
Energy: 0.44928848289363654
Energy: 0.5850014135861461
Energy: 0.5943198718066877
Energy: 0.6333943015370435
Energy: 0.8709127645001487
Energy: 0.5226607522165589
Energy: 0.8521060049328092
Energy: 0.2037596696142973
Energy: 0.21811524876460775
Energy: 0.8333509005889905
Energy: 0.8170550609114178
Energy: 1.0035201195595405
Energy: 0.36883528648332753
Energy: 0.4749831035203004
Energy: 0.521468470833341
Energy: 0.30532193640796434
Energy: 0.26726378192582145
Energy: 0.17930626067891048
Energy: 0.2715488314162789
Energy: 0.5241597103997516
Energy: 0.5423553138501086
Energy: 0.41795538354531114

minimum gb energy = 0.16169505540799048 eV
minimum distance =  2.23058373549997 Angstroms
sigma value = 75


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

Energy: 2.2171923896820203
Energy: 0.8156456984852687
Energy: 0.6680329650372818
Energy: 0.7244573077119885
Energy: 0.7970238069176856
Energy: 0.6466798638992982
Energy: 0.7738101812628558
Energy: 0.8296134872979353
Energy: 0.7206693532566391
Energy: 0.8241608739716869
Energy: 0.6851900028309765
Energy: 0.9907115694899407
Energy: 0.7527557065478835
Energy: 0.7249768269151917
Energy: 0.7162652658990254
Energy: 0.6728469571328592
Energy: 0.9123599481160343
Energy: 0.6844737420290806
Energy: 0.9515776040727165
Energy: 0.7534614735353132
Energy: 0.8240789153096759
Energy: 0.6381493353042653
Energy: 0.6164879651709573
Energy: 0.6912605507939095
Energy: 0.666658792603439
Energy: 0.5795650379346227
Energy: 0.6785384349655698
Energy: 0.6350073831246803
Energy: 0.7917127444408413
Energy: 0.6259958202775511
Energy: 0.5707770768429412
Energy: 0.7009646442572209
Energy: 1.0018139736511495
Energy: 0.6147193676494901
Energy: 0.6625896939401471
Energy: 0.5558331481728924
Energy: 0.7856066102669015
Energy: 0.835875112059773
Energy: 0.7638988660918363
Energy: 0.6545955027735121
Energy: 0.9561851688615346
Energy: 0.6182043346132968
Energy: 0.9051773231214547
Energy: 0.9802701111344049
Energy: 0.9322089360040839
Energy: 1.1264033080786788
Energy: 0.6336622245745416
Energy: 0.8201814381812135
Energy: 1.049114370134167
Energy: 0.9073962630082116
Energy: 0.851527917705508
Energy: 0.9105786635151651
Energy: 0.9570956389267815
Energy: 0.716090607339289
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Energy: 0.9619619698571332
Energy: 0.7836228098234311
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Energy: 0.929910901857692
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Energy: 0.8075459678402452
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Energy: 0.8895988908777881
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Energy: 0.9563799468727383
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Energy: 0.8488661720402566
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Energy: 0.7630201588575388
Energy: 1.004714842701643
Energy: 1.0081122527695365
Energy: 0.7083277186730138
Energy: 0.6701249958480114
Energy: 0.8498671516847012
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Energy: 1.0642005056362767
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Energy: 0.5772708774019303
Energy: 0.6814204791496271
Energy: 0.6453704028716875
Energy: 0.6888207019927508
Energy: 0.6214089912503861
Energy: 0.6537538554549579
Energy: 0.7703964712377189
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Energy: 0.9739443407981673
Energy: 0.6211161676239997
Energy: 0.9686019658963976
Energy: 0.7948774924509533
Energy: 0.6939619599912288
Energy: 0.9468348825928079
Energy: 0.6850152052190409
Energy: 0.9781184051182171
Energy: 0.9473255655024857
Energy: 0.876255302869288
Energy: 0.8201947796167124
Energy: 0.8305055634025367
Energy: 0.8793943396929145
Energy: 0.8391478514814391
Energy: 0.8776011062789736
Energy: 0.895772489588299
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Energy: 0.8806366989979457
Energy: 1.0720414658673496
Energy: 0.9049120005479555
Energy: 0.6377692642866486
Energy: 0.8565904438420495
Energy: 0.8346717345276817
Energy: 1.0019353972571927
Energy: 0.8564046967565866
Energy: 0.6272880287180231
Energy: 0.8445098322697903
Energy: 0.6818541685672665
Energy: 0.9411349963790053
Energy: 0.7817957079174768
Energy: 0.681335004822713
Energy: 0.7451277153716585
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Energy: 0.7979335023003156
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Energy: 0.6904478387667029
Energy: 0.9452501500336915
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Energy: 0.6225914787955187
Energy: 0.6339612391125281
Energy: 0.7342647747138795
Energy: 0.7455301972542684
Energy: 0.5875493918650012
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Energy: 0.9943790025764342
Energy: 0.7036190270644096
Energy: 0.9597619665678528
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minimum gb energy = 0.5037756523721146 eV
minimum distance =  2.19699631919571 Angstroms
sigma value = 105


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

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Energy: 0.9320955820744619
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Energy: 1.0410591219428749
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Energy: 0.8107004920275486
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Energy: 0.5668454584708946
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Energy: 0.7537470783413502
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Energy: 0.7979045355537874
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Energy: 0.8218017848724074
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Energy: 0.9040096882520794
Energy: 0.9000094247515005
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Energy: 0.8606597462610718
Energy: 0.9724890447876108
Energy: 0.8475681530953398
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Energy: 0.6616769934430248
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Energy: 0.6671226579684317
Energy: 0.8137495473556371
Energy: 0.661511914685052
Energy: 0.6817833366218844
Energy: 0.6412670071106613
Energy: 0.7290479189720982
Energy: 0.9577988438630632
Energy: 0.8322687921031978
Energy: 0.6579161397761372
Energy: 0.6673367197069376
Energy: 0.8522909810144924
Energy: 0.7912856502205713
Energy: 0.7368506132016674
Energy: 0.6076134366315559
Energy: 0.6616283833325615
Energy: 0.9094339595060491
Energy: 0.91833041837392
Energy: 0.7101843100593226
Energy: 0.7292737759687933
Energy: 0.6447773472593145
Energy: 0.7222440692824146
Energy: 0.7336784017228687
Energy: 0.7111956032969404
Energy: 0.7142307855361842
Energy: 0.6384793321475459
Energy: 0.8360869728842836
Energy: 0.6055354950678146
Energy: 0.7649050540172654
Energy: 0.871441553779112
Energy: 0.6752552706782674
Energy: 0.9131416982249284
Energy: 0.6331371107778561
Energy: 0.7341313265630502
Energy: 0.8421489868028157
Energy: 0.6558070357155215
Energy: 0.8162909671473929
Energy: 0.9033145137615429
Energy: 0.758538469184727
Energy: 0.8717991500224581
Energy: 0.7377234721582371
Energy: 0.634710543625299
Energy: 0.9185440602044143
Energy: 0.7548748566000102
Energy: 0.8357668520734625
Energy: 0.9652739918232849
Energy: 0.6430003563970459
Energy: 0.7636373049188776
Energy: 0.866208809834959
Energy: 0.7072896293035684
Energy: 0.6982634538297487
Energy: 0.7630555932337683
Energy: 0.7966181386427391
Energy: 0.8561117516727866
Energy: 0.731971780187997
Energy: 0.6871011893620674
Energy: 0.7206396671236417
Energy: 0.8627630927145594
Energy: 0.9341139122331827
Energy: 0.672130091405242
Energy: 0.5332322308592821
Energy: 0.7072797293208881
Energy: 0.8723723175795122
Energy: 0.8792125227064219
Energy: 0.5238332360216268
Energy: 0.7361001574504012
Energy: 0.7648914848091384
Energy: 0.7117241584063186
Energy: 0.5146015442602877
Energy: 0.5295036168747149
Energy: 0.5491953679137761
Energy: 0.46543963507569486
Energy: 0.9070091206480817
Energy: 0.5231540937652731
Energy: 0.6724308133058857
Energy: 0.5390651348166338
Energy: 0.6085398939883425

minimum gb energy = 0.46543963507569486 eV
minimum distance =  2.3006728249868 Angstroms
sigma value = 165


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

Energy: 1.1958561789171591
Energy: 0.7403564352841677
Energy: 0.7686741700196875
Energy: 0.7713949097313422
Energy: 0.7383614804992822
Energy: 1.2191507930247942
Energy: 0.7702720442639656
Energy: 0.7841781440272916
Energy: 0.7707513592830292
Energy: 0.7369811761821835
Energy: 0.7486250871536082
Energy: 0.8343058499083397
Energy: 0.8280123133503751
Energy: 0.8661478913571593
Energy: 0.8426801601723423
Energy: 0.7997158930113568
Energy: 0.834453520233408
Energy: 0.8327887139974527
Energy: 0.8448411800509656
Energy: 0.828116339366104
Energy: 0.8269004751008289
Energy: 0.7145826145562171
Energy: 0.6983268745098524
Energy: 0.7944383103067898
Energy: 0.8511444849820458
Energy: 0.7731018693254035
Energy: 0.7206868298318652
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Energy: 0.7970948741222296
Energy: 0.8628787260578834
Energy: 0.757300685310439
Energy: 0.8491211384689235
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Energy: 0.8254679436122864
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Energy: 0.7583999867687373
Energy: 0.7981088897853249
Energy: 0.7296066899431121
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Energy: 0.8410516982594296
Energy: 0.7822253869987048
Energy: 0.6988987277291704
Energy: 0.747982196120808
Energy: 0.7592397930362674
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Energy: 0.755467601071627
Energy: 0.7682061301691461
Energy: 0.7549977744428167
Energy: 0.7366625786800591
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Energy: 0.8159333076074954
Energy: 0.7970138528401876
Energy: 0.7334693006149633
Energy: 0.7745731624516681
Energy: 0.806256035323431
Energy: 0.8085176955582236
Energy: 0.8122855307132401
Energy: 0.808286768824595
Energy: 0.8280468913693813
Energy: 0.8485285387271407
Energy: 0.8448368797060861
Energy: 0.8304445483683712
Energy: 0.8083399777162985
Energy: 0.8474944567761488
Energy: 0.8405959687237256
Energy: 0.8428112964205411
Energy: 0.8522227980816092
Energy: 0.7385085252026654
Energy: 0.7619905074278824
Energy: 0.8380031552928332
Energy: 0.7182165183687931
Energy: 0.7106160882345052
Energy: 0.7781213379115671
Energy: 0.8414098417654152
Energy: 0.7599122531969197
Energy: 0.7176081781892039
Energy: 0.8300326463280301
Energy: 0.7880870627716251
Energy: 0.8445999962848676
Energy: 0.8155416469435466
Energy: 0.8326689202543108
Energy: 0.7373657556781803
Energy: 0.7920031236940703
Energy: 0.8522179990166687
Energy: 0.8344789328625503
Energy: 0.8376592164721846
Energy: 0.8138177267793276
Energy: 0.6699252466214259
Energy: 0.7653784052262664
Energy: 0.7923386886764903
Energy: 0.8429156881212325
Energy: 0.8064574103521949
Energy: 0.6936008073353115
Energy: 0.7442579155081187
Energy: 0.7777981533237975
Energy: 0.833353834463153
Energy: 0.7836087133379113
Energy: 0.8024752987798955
Energy: 0.7628456014272081
Energy: 0.833293459248054
Energy: 0.7601985819139877
Energy: 0.7859853455755536
Energy: 0.7945266291560585
Energy: 0.7903415703742389
Energy: 0.7918179247422654
Energy: 0.7569896979764603
Energy: 0.7791854780934122
Energy: 0.7487359248865166
Energy: 0.8500404036240868
Energy: 0.841236743697281
Energy: 0.7669860567139157
Energy: 0.8348762115707979
Energy: 0.7350260071790494
Energy: 0.848457675632032
Energy: 0.7771146049633907
Energy: 0.7715836116388276
Energy: 0.7922885549773938

minimum gb energy = 0.6699252466214259 eV
minimum distance =  2.26030723362758 Angstroms
sigma value = 41


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

Energy: 0.8770671356109558
Energy: 0.5562141606798856
Energy: 0.5565453975459268
Energy: 0.5324776974109624
Energy: 0.5473053582946138
Energy: 0.5317183649442759
Energy: 0.5004665481015308
Energy: 0.5521975683931389
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Energy: 0.58078325329277
Energy: 0.6645223445249218
Energy: 0.6257657651653067
Energy: 0.6275027821229257
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Energy: 0.6538546978760233
Energy: 0.6948367598342161
Energy: 0.663180801010675
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Energy: 0.6350613762456482
Energy: 0.6024422976802835
Energy: 0.5631292053331834
Energy: 0.6021547383902683
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Energy: 0.6713722069953179
Energy: 0.5973281946590461
Energy: 0.5629670350428344
Energy: 0.6329676660837953
Energy: 0.6858837291249369
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Energy: 0.9589337805763672
Energy: 0.54970090635609
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Energy: 0.683492860393534
Energy: 0.8001314829269213
Energy: 0.6941694822493875
Energy: 0.6597484056000479
Energy: 0.6723237917584625
Energy: 0.654595446744742
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Energy: 0.6483792985694212
Energy: 0.5835749469917686
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Energy: 0.6266478822959254
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Energy: 0.6464868942303001
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Energy: 0.720896550148274
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Energy: 0.7671128944330999
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Energy: 0.6575014942954447
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Energy: 0.6624609072250367
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Energy: 0.6360378420697171
Energy: 0.6549740017663429
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Energy: 0.665652908627116
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Energy: 0.649557879415507
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Energy: 0.7571988806224645
Energy: 0.5970734570971196
Energy: 0.6323606001803947
Energy: 0.6553398413028403
Energy: 0.674956535476571
Energy: 0.782886984829815
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Energy: 0.6210022316960215
Energy: 0.6563119127146447
Energy: 0.6573177421777113
Energy: 0.6593591543106991
Energy: 0.6691098290506333
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Energy: 0.8469430470048988
Energy: 0.683578156011907
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Energy: 0.6801336065292294
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Energy: 0.8382156355227621
Energy: 0.6367650490607296
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Energy: 0.7875802312492941
Energy: 0.6690956348184396
Energy: 0.576347834386743
Energy: 0.6000047115549124
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Energy: 0.6422819296085713
Energy: 0.7016115946953851
Energy: 0.7019384549340573
Energy: 0.5502460644220852
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Energy: 0.6781767830992127
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Energy: 0.693806439266892
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Energy: 0.6401030416673159
Energy: 0.6234007103737248
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Energy: 0.5671433356160988
Energy: 0.6592898890446343
Energy: 0.5919550544318862
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Energy: 0.680947709813076
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Energy: 0.6795519023562993
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Energy: 0.6607829677960939
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Energy: 0.8004012840805782
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Energy: 0.6107719009850606
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Energy: 0.5780930812138613
Energy: 0.5549203229838298
Energy: 0.6659300360097736
Energy: 0.7073909593278835
Energy: 0.6433032120111041
Energy: 0.6505694762523754
Energy: 0.6768021653051591
Energy: 0.6315442251261172
Energy: 0.5338656071099702
Energy: 0.6036542263390243
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Energy: 0.6603100578185803
Energy: 0.622780220528537
Energy: 0.6627801049305034
Energy: 0.6334366190508744
Energy: 0.5591040009939124
Energy: 0.6485719410919653
Energy: 0.5108233928747605
Energy: 0.6286226063437451
Energy: 0.5960313753239227
Energy: 0.7295004807573026
Energy: 0.5845135846114352
Energy: 0.6174705867579428
Energy: 0.5702842750349559
Energy: 0.5646686950186334
Energy: 0.5446299733825756
Energy: 0.5539326245563433
Energy: 0.5271040776127759
Energy: 0.5505515149852652
Energy: 0.553769761608126
Energy: 0.5320638223271895
Energy: 0.6058473968004852
Energy: 0.6082229324321117
Energy: 0.5586978019319345
Energy: 0.5897733734221088
Energy: 0.7544117800891765
Energy: 0.6864697538100972
Energy: 0.5415091622001179
Energy: 0.5204949592828952
Energy: 0.5590985758288941
Energy: 0.6057769083523908
Energy: 0.6490557922246605
Energy: 0.5533578105934037
Energy: 0.6069718393642553
Energy: 0.5560286494075724
Energy: 0.6981197885702144
Energy: 0.5704550999799479
Energy: 0.6043793268861058
Energy: 0.5332558884639959
Energy: 0.5585245464275642
Energy: 0.5630087598052175
Energy: 0.5598751825166656
Energy: 0.5586310305156165
Energy: 0.5297568604718879

minimum gb energy = 0.419319139297993 eV
minimum distance =  2.29495224953139 Angstroms
sigma value = 185


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

Energy: 0.46127314115009527
Energy: 0.2500665500839868
Energy: 0.18906404338107183
Energy: 0.3863442954269924
Energy: 0.14887003827005077
Energy: 0.3665436580531421
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Energy: 0.34989051577952185
Energy: 0.4835843011814326
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Energy: 0.4331018622580197
Energy: 0.42056760315528596
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Energy: 0.453786093107299
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Energy: 0.34319780362526936
Energy: 0.36357204452713854
Energy: 0.16896915074987442
Energy: 0.4801380556982878
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Energy: 0.4546601870492614
Energy: 0.16793124653929306
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Energy: 0.4881702470766588
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Energy: 0.1513900083594482
Energy: 0.3527066755558012
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Energy: 0.48591715766615196
Energy: 0.1653925336682534
Energy: 0.31534721195724236
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Energy: 0.3818882351950864
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Energy: 0.4621362038788347
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Energy: 0.4949237594629972
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Energy: 0.4757806751824639
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Energy: 0.3865444648192436
Energy: 0.379626979990069
Energy: 0.28747808918743195
Energy: 0.4117885566041193
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Energy: 0.4422436157044762
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Energy: 0.2370706068495202
Energy: 0.4344470607053871
Energy: 0.3769053815201927
Energy: 0.37347193365387715
Energy: 0.4863595371251869
Energy: 0.23012060453855826
Energy: 0.39579808254613347
Energy: 0.25549935615487535
Energy: 0.3518261328400281
Energy: 0.4494581098417964
Energy: 0.46523373547020547
Energy: 0.4018375361101274
Energy: 0.3998031231888987
Energy: 0.4249771666868649
Energy: 0.17130004315107877
Energy: 0.3982889903504011
Energy: 0.48170723861129283
Energy: 0.368182723071554
Energy: 0.40111961027429033
Energy: 0.17754152660410827
Energy: 0.4100804058161882
Energy: 0.42420143828094575
Energy: 0.45883143769663826
Energy: 0.1669789922239023
Energy: 0.34177640308317336
Energy: 0.30470330993731437
Energy: 0.4138723683399163
Energy: 0.4434428677839774
Energy: 0.1613858674568247
Energy: 0.3404604946398905
Energy: 0.2735162453616527
Energy: 0.1754309011216341
Energy: 0.3725690843279751
Energy: 0.2606615135444338
Energy: 0.4157414097685205
Energy: 0.4021006643397386
Energy: 0.4483244713247652
Energy: 0.4068783546244937
Energy: 0.32648245563730005
Energy: 0.4432780599878216
Energy: 0.39335637015727387
Energy: 0.3778999360610435
Energy: 0.3040781245482466
Energy: 0.2823442983286987
Energy: 0.38456331460199067
Energy: 0.4087380754294808
Energy: 0.4751522877510393
Energy: 0.41136339913704745
Energy: 0.17422826159381102
Energy: 0.41184389551797473
Energy: 0.3782404928512884
Energy: 0.1986037906927337
Energy: 0.25942645930855407

minimum gb energy = 0.1381155795731379 eV
minimum distance =  2.37310229848869 Angstroms
sigma value = 33


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

Energy: 1.807970382178077
Energy: 0.4641121448910473
Energy: 0.49358426959429563
Energy: 0.4479541839255393
Energy: 0.41231430815857895
Energy: 0.32268647502146086
Energy: 0.4593340096891287
Energy: 0.4626101583682401
Energy: 0.4842815728675948
Energy: 0.409891577077588
Energy: 0.5856551794759971
Energy: 0.49303591038876965
Energy: 0.47725134851024054
Energy: 0.46558508583596087
Energy: 0.49245745179483147
Energy: 0.46314016035382033
Energy: 0.46086034073382115
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Energy: 0.4617815207159398
Energy: 0.5344409499852986
Energy: 0.46686597650619904
Energy: 0.6032787520821378
Energy: 0.4727655956526442
Energy: 0.45020174044424044
Energy: 0.4521467390337433
Energy: 0.49893214329304586
Energy: 0.6114533811708897
Energy: 0.45804135478696584
Energy: 0.49242008667032044
Energy: 0.48867849393277174
Energy: 0.46697703291751214
Energy: 0.4656077161949228
Energy: 0.4668739502911191
Energy: 0.35667230127314464
Energy: 0.5087683106558144
Energy: 0.46964469030128225
Energy: 0.5461657993943458
Energy: 0.5471257312167055
Energy: 0.5856888810189335
Energy: 0.48477264667034936
Energy: 0.5020466619136551
Energy: 0.4973720890932006
Energy: 0.4554702442536707
Energy: 0.47530608039885247
Energy: 0.45522739784642224
Energy: 0.5032556179407283
Energy: 0.47787821048933404
Energy: 0.46375840265411694
Energy: 0.46563899388970403
Energy: 0.46258997827659754
Energy: 0.5270882822389046
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Energy: 0.47456222775123424
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Energy: 0.4758646972855419
Energy: 0.49075807142282074
Energy: 0.44852924294538427
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Energy: 0.4352857687953595
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Energy: 0.4229755998293565
Energy: 0.4919806544825737
Energy: 0.5535646241991441
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Energy: 0.4810125450721263
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Energy: 0.4855083527174133
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Energy: 0.4830519378439777
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Energy: 0.4497852827896731
Energy: 0.4769647938792108
Energy: 0.552841893756863
Energy: 0.4863393081469241
Energy: 0.4966179401477363
Energy: 0.40708702963552534
Energy: 0.41550850635614406
Energy: 0.4916101435973131
Energy: 0.5451929678738199
Energy: 0.5265645679373715
Energy: 0.3649136233954791
Energy: 0.44087076330510994
Energy: 0.4942565345670951
Energy: 0.515115588270581
Energy: 0.5110928836334804
Energy: 0.4353851354090565
Energy: 0.4703507900212164
Energy: 0.4943824658060812
Energy: 0.41495197691763663
Energy: 0.5175602200542343
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Energy: 0.5162692109170264
Energy: 0.4292001505348168

minimum gb energy = 0.32268647502146086 eV
minimum distance =  2.28807923371036 Angstroms
sigma value = 219


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

Energy: 1.1197776223286284
Energy: 0.8326642961968335
Energy: 0.9612303214903318
Energy: 0.9615817025049771
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Energy: 0.7160569460771337
Energy: 0.8188650999699723
Energy: 0.8637167989924063
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Energy: 0.7309231516756423
Energy: 0.7466463593451639
Energy: 0.8292868089377399
Energy: 0.7505491923937916
Energy: 0.8868150061407628
Energy: 0.8636368872303944
Energy: 0.8534657267403768
Energy: 0.83177708540705
Energy: 0.9767880604623245
Energy: 0.8934474756076853
Energy: 0.8441466104849593
Energy: 0.8668072812759825
Energy: 0.9297419544727397
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Energy: 0.8518997918461507
Energy: 0.8477357065751819
Energy: 0.8536562532330558
Energy: 0.8907135199994277
Energy: 0.906453188278768
Energy: 0.7372935139237847

minimum gb energy = 0.6384081422997744 eV
minimum distance =  2.28826296590241 Angstroms
sigma value = 15


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

Energy: 1.0478778614176085
Energy: 1.055154299467349
Energy: 1.0245340689473124
Energy: 1.1043833129886755
Energy: 1.0293166117951975
Energy: 0.9562619758653426
Energy: 0.9547017466358652
Energy: 1.048439211591516
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Energy: 0.9951024293144366
Energy: 1.0802098969953688
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Energy: 1.0356760919504582
Energy: 0.9033867777668375
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Energy: 1.0447196913350703
Energy: 0.8999885710880903
Energy: 1.1270865962702838
Energy: 1.0335338111480428
Energy: 1.0066337861385637
Energy: 1.08286307921026
Energy: 0.9991718007153245
Energy: 1.1313417385593827
Energy: 1.041499298569979
Energy: 1.0067455774850689
Energy: 1.0371633278378989
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minimum gb energy = 0.8377678644452821 eV
minimum distance =  2.2878507678126 Angstroms
sigma value = 293


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

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Energy: 1.0056847018058679
Energy: 0.9600741417526448
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Energy: 1.0500722498910353
Energy: 1.0094128310691854
Energy: 1.1074773755161347
Energy: 1.1162846712141314
Energy: 1.0076422196464656
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Energy: 1.0063652044370701
Energy: 1.1551026061867098
Energy: 1.002964932204157
Energy: 1.125034894777174
Energy: 1.050497932144975
Energy: 1.0293522344478752
Energy: 1.1402538002040588
Energy: 1.0628031052250624
Energy: 1.2201139066049393
Energy: 0.9247474480423914
Energy: 1.0324046393256583
Energy: 1.0833548234506203
Energy: 1.0508927341420335
Energy: 1.3466608012369927
Energy: 0.9574585017149595
Energy: 1.096290360997444
Energy: 1.0343002113376893
Energy: 1.0134519624271494
Energy: 1.0427749513985283
Energy: 1.1805787125989027
Energy: 1.0842721758487188
Energy: 1.0393508486393157
Energy: 1.0391140156367373
Energy: 1.0539965465666838
Energy: 1.1770271735364515
Energy: 1.0706213887025613
Energy: 1.0126384679928169
Energy: 1.074953280592044
Energy: 1.1488763699543296
Energy: 1.1385344297614381
Energy: 0.9028992009337937
Energy: 0.9698163524985077
Energy: 0.9993091001235992
Energy: 1.1330866648791793
Energy: 1.1777200706058237
Energy: 0.881570615466022
Energy: 0.9648987510328836
Energy: 0.850579320201238
Energy: 1.0782695004131966
Energy: 1.2273372588380276
Energy: 0.9380923600199164
Energy: 1.0006232979573655
Energy: 0.9478256338005941
Energy: 1.03239853249936
Energy: 1.2088807840479676
Energy: 0.9035446565979507
Energy: 1.0411033983351923
Energy: 0.9399127325371681
Energy: 1.11041053602966
Energy: 1.1397704585917852
Energy: 1.1110309097156585
Energy: 1.0543433819687327
Energy: 1.0603375208397268
Energy: 1.0094168708664821
Energy: 1.0410298494108237
Energy: 1.1454305997928858
Energy: 1.0375531961638957
Energy: 1.0939884968561533
Energy: 0.979061807470974
Energy: 1.0587530674696621
Energy: 1.0501838813310245
Energy: 1.0686806397996091
Energy: 0.9711270318305257
Energy: 1.2635271790456304
Energy: 1.1163040155146935
Energy: 1.0280445372250768
Energy: 1.0127774697925103
Energy: 0.9944062489731754

minimum gb energy = 0.737566832939469 eV
minimum distance =  2.26589551084388 Angstroms
sigma value = 293


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

Energy: 1.2088537505291916
Energy: 1.1170389738754478
Energy: 1.2372191806803055
Energy: 1.0185318014721938
Energy: 1.1100207794602137
Energy: 1.0867586272113685
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Energy: 1.030104186409329
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Energy: 1.0298970429538374
Energy: 1.0099891389731002
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Energy: 1.0925911429423618
Energy: 1.0246621332115706
Energy: 1.0068457690333903
Energy: 1.0253973635070799
Energy: 1.016010519646429
Energy: 1.0011710557153046
Energy: 1.0214138075667512
Energy: 1.1048676402644957
Energy: 1.037152574475709
Energy: 1.021374878022982
Energy: 1.027223987950682
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Energy: 1.069235178554409
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Energy: 1.147793282648418
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Energy: 1.0270325956183202
Energy: 1.038417438382306
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Energy: 1.0377972482951625
Energy: 1.0069662486348514
Energy: 1.0760131153316812
Energy: 1.0261783520449288
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Energy: 1.0410285101017196
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Energy: 1.0000902653521289
Energy: 1.0428447155322644
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Energy: 1.1141196519681025
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Energy: 1.2268458519628278
Energy: 1.100189305916597
Energy: 1.1462973199659758
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Energy: 1.1935215578004195
Energy: 1.1023719767146984
Energy: 1.1519580683214692
Energy: 1.0657900343263966
Energy: 1.0243779679212102
Energy: 1.094511679395116
Energy: 1.2055179985699584
Energy: 1.4678371738461549
Energy: 1.0257953961799928
Energy: 1.0356088504481027
Energy: 1.0905760367122035
Energy: 1.1923402688909877
Energy: 1.0213497220442551
Energy: 1.0347577643785926
Energy: 0.9980129258574876
Energy: 1.1247808249616964
Energy: 1.032772834521679
Energy: 1.0061263474377848
Energy: 1.0902299347842608
Energy: 1.0063480070250304
Energy: 1.2372808462793372
Energy: 1.0286690741206204
Energy: 1.0394151889768428
Energy: 1.0918708809006432
Energy: 1.2547711684310254
Energy: 1.1268616692622317
Energy: 1.0309451147903466
Energy: 1.0376472283139375
Energy: 1.3391688450310104
Energy: 1.1212331790170509
Energy: 1.1622298252916337
Energy: 1.0285657849115912
Energy: 1.038829278803138
Energy: 1.0276322625019774
Energy: 1.026452213587414
Energy: 1.11545730881105
Energy: 1.022718593998134
Energy: 1.195848952014609
Energy: 1.095221674487052
Energy: 1.0402664873327256
Energy: 1.1064017385519782
Energy: 1.027468447728016
Energy: 1.1876270657195211
Energy: 1.1031249774784584
Energy: 1.0004947466584342
Energy: 1.0920692473331848
Energy: 1.1492481306276061
Energy: 1.0973291246365757
Energy: 1.4240561745715545
Energy: 1.0228124238930885
Energy: 1.0173475666770684
Energy: 1.039008214846214
Energy: 1.203659032517426
Energy: 1.4289376565547522
Energy: 1.0561961991388618
Energy: 1.0227352227473567
Energy: 1.1050566804121846
Energy: 1.1253602397694351
Energy: 1.0247184368166442
Energy: 1.0366886495339664
Energy: 1.0252094235985945
Energy: 1.109711006707147
Energy: 1.0258451226211571
Energy: 1.0200270479674016
Energy: 1.2123501918941102
Energy: 1.033516662850651
Energy: 1.0263126165905894
Energy: 1.0960443323125353
Energy: 1.1285004410265018
Energy: 1.2014119538369576
Energy: 1.0388886481145052
Energy: 1.118575486742793
Energy: 1.078161646759339
Energy: 1.1232743317368

minimum gb energy = 0.9980129258574876 eV
minimum distance =  2.32531929395738 Angstroms
sigma value = 15


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

Energy: 0.9789317912397492
Energy: 1.0102366914913168
Energy: 1.126050286128239
Energy: 1.015328758425927
Energy: 1.001384168443533
Energy: 0.9847773379236995
Energy: 1.0619636897089382
Energy: 1.1464437056877526
Energy: 1.0179425941140787
Energy: 0.909851363435592
Energy: 1.0418642239774356
Energy: 1.023189539920106
Energy: 1.0369451084131358
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Energy: 0.9924162202963988
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Energy: 1.026963446122403
Energy: 0.9999141217054084
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Energy: 1.0391766511593037
Energy: 1.1203285899269095
Energy: 1.0304007997155762
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Energy: 0.903017699636136
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Energy: 1.0492862169474169
Energy: 1.0428797993168086
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Energy: 1.059269036510553
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Energy: 1.1603592972159122
Energy: 0.855126528898784
Energy: 1.0540904669791922
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Energy: 1.094009903463668
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Energy: 1.0884169609134822
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Energy: 1.147033777832425
Energy: 0.9368976217163378
Energy: 1.0966805900539023
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Energy: 1.0297618704922098
Energy: 0.9958862639924446
Energy: 0.9442757218391511
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Energy: 1.029358790458051
Energy: 1.0067834326968332
Energy: 1.0069631684372753
Energy: 1.0373424243810065
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Energy: 1.044667276588547
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Energy: 1.0679045484993612
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Energy: 1.01693433730106
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Energy: 0.9794539993533746
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Energy: 1.0131880059981757
Energy: 1.2187918520645193
Energy: 1.0452978813552176
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Energy: 1.1357591113395755
Energy: 0.9911279883360103
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Energy: 1.0988018226547982
Energy: 0.9886101706019593
Energy: 1.0423292169952791
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Energy: 1.0552987024595175
Energy: 1.0490875851567791
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Energy: 0.9923337264589926
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Energy: 1.0446076106197604
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Energy: 1.0383011712441725
Energy: 1.160015593489597
Energy: 1.1207250237074804
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Energy: 0.9540860127061106
Energy: 1.2161899485017211
Energy: 1.0338906600890154
Energy: 1.0288644742014945
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Energy: 1.3059766912731203
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Energy: 1.0856750684340086
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Energy: 1.0716018064238209
Energy: 1.0221918062480042
Energy: 0.9977096005248643
Energy: 1.0812093231319304
Energy: 1.123095968909331
Energy: 1.0890420901650855
Energy: 0.9522721118388341
Energy: 1.2796199379020083
Energy: 1.1348634380956326
Energy: 1.1451120109267634
Energy: 1.0791177402691425
Energy: 0.9498347531516057
Energy: 0.933580758469713
Energy: 1.175291992406969
Energy: 1.1309976997994355
Energy: 1.1740244659663193
Energy: 0.9639478416399302
Energy: 1.052670137864809
Energy: 1.0550589897760174
Energy: 1.1618794351774613
Energy: 0.9842622886617391
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Energy: 1.0742893500326667
Energy: 1.1453642744124064
Energy: 1.1651868644776118
Energy: 1.1265954677791281
Energy: 0.9774912987429981
Energy: 1.004511696166662
Energy: 1.1983555908376406
Energy: 1.067886964545034
Energy: 1.0449514501752388
Energy: 0.9698715226371808
Energy: 1.0018440264144939
Energy: 1.4973361474385392
Energy: 1.0063821822064904
Energy: 0.9901174377896161
Energy: 1.0150253156990303
Energy: 1.1252273401005175
Energy: 1.2246960210011517
Energy: 1.021006613383835
Energy: 1.0307635750749091
Energy: 1.0061119252363888
Energy: 1.0808133624900766
Energy: 1.2429048537190577
Energy: 1.0409248869983485
Energy: 1.0741138336998182
Energy: 1.0540940975964366
Energy: 1.0909212002100062
Energy: 1.022425141188871
Energy: 1.0043106917018367
Energy: 1.0554450486490867
Energy: 1.0273006158286524
Energy: 1.045974434880148
Energy: 1.0150939370718879
Energy: 1.0528642532599737
Energy: 1.2660073469623299
Energy: 1.0211767655313908
Energy: 1.0426952562112564
Energy: 1.0301505152301262
Energy: 0.9978909994065391
Energy: 1.0002008979622516
Energy: 1.009153748244257
Energy: 1.2722236375485825
Energy: 1.045263925765312
Energy: 0.9871428970801148
Energy: 1.1106786715899126
Energy: 1.0757558929731235
Energy: 1.108244224252531
Energy: 0.957310686885874
Energy: 0.9961982352621698
Energy: 1.1276484482327889
Energy: 1.1396971856113878
Energy: 1.0394313306098293
Energy: 1.0097027855561165
Energy: 1.028307723890885
Energy: 0.9520498944293387
Energy: 1.0415353365616102
Energy: 1.038299909257965
Energy: 1.0613054577001708
Energy: 1.2734820158192088
Energy: 1.0377262393203552
Energy: 1.0409656662624531
Energy: 1.054493808799158
Energy: 1.0972029121944644
Energy: 1.1448988853141069
Energy: 1.0391543542999213
Energy: 1.0349271298653733
Energy: 1.2095993812988475
Energy: 1.040156230554295
Energy: 1.1006523472962484
Energy: 1.048590731183098
Energy: 1.0087992985751821
Energy: 1.1275955372409647
Energy: 1.0917861378148173
Energy: 1.1909377949414548
Energy: 1.0787686586818066
Energy: 0.9655096726067314
Energy: 0.9235727622983164
Energy: 1.0489533025761146
Energy: 1.30896731709252
Energy: 1.0857438193023647
Energy: 0.9637829637004501
Energy: 0.9252982263780751
Energy: 1.0363307093052199
Energy: 1.0218065690175726
Energy: 1.0511582410539946
Energy: 0.9509672655244822
Energy: 0.9458310239116783
Energy: 1.0483383249918363
Energy: 1.0356313742995982
Energy: 1.1288051360961593
Energy: 0.9310192180287868
Energy: 0.9728637554545118
Energy: 1.0029505723564918
Energy: 1.07361865090624
Energy: 1.1578079828039516
Energy: 1.1211911530687624
Energy: 1.061505419299173
Energy: 1.0732721796217035
Energy: 1.0875604334642106
Energy: 1.1586638223371806
Energy: 1.0151921135439061
Energy: 1.1470600653125098
Energy: 1.0602099117811654
Energy: 1.0948841612950826
Energy: 1.1615655483511251
Energy: 1.093062087146582
Energy: 1.0175288915474472
Energy: 1.244212470573884
Energy: 1.1105262556788604
Energy: 1.1729487183739775
Energy: 1.1519365647183144
Energy: 0.9963303736976069
Energy: 1.2010509986992057
Energy: 0.9520033491746129
Energy: 0.9510497264224361
Energy: 1.2270453409227904
Energy: 1.0693249717691715
Energy: 0.9365864763262659
Energy: 1.0035644701455786
Energy: 0.9399374544516899
Energy: 1.1403586134421306
Energy: 1.0615363826229411
Energy: 0.9842156188163215
Energy: 1.1398805430658787
Energy: 1.2217915955558094
Energy: 1.2205991574429311
Energy: 1.111574078571207
Energy: 1.0053797765274175
Energy: 1.1589309464624291
Energy: 1.2225876643200186
Energy: 1.2101507167531813
Energy: 1.1138865145221226
Energy: 0.9674473951666414
Energy: 1.0100488302764556
Energy: 1.0254529645826072
Energy: 1.1057278814805136
Energy: 1.0298646682981272
Energy: 1.009943900500376
Energy: 1.0177644976142908
Energy: 1.022944555147618
Energy: 1.1005143994324422
Energy: 1.0180668977476108
Energy: 0.9958201752484085
Energy: 1.0422912434778218
Energy: 1.338978235627118
Energy: 1.0064709751448915
Energy: 0.9742520495767434
Energy: 1.0231346694006498
Energy: 1.044220829207037
Energy: 1.0609085351713818
Energy: 1.0131320460659996
Energy: 1.0081338789669319
Energy: 1.0721433348891032
Energy: 1.0214880086500604
Energy: 1.0972827377308034
Energy: 1.0552010072339122
Energy: 0.974713354014784
Energy: 1.018943817233404
Energy: 1.0198549917045654
Energy: 1.1100422367783127
Energy: 1.0493145570411508
Energy: 1.062250979192072
Energy: 0.9954950634893295
Energy: 1.1303546746555577
Energy: 1.074326823855063
Energy: 1.0193947126372773
Energy: 1.136172738503825
Energy: 0.9969461447773343
Energy: 1.173674712425237
Energy: 1.0449078675231687
Energy: 1.0202751608049554
Energy: 1.1337142122363288
Energy: 0.9999949443996199
Energy: 1.0260455806649846
Energy: 1.0604104862958332
Energy: 1.0319972065121767
Energy: 1.269416277650664
Energy: 1.0230679841712513
Energy: 1.0514947045720857
Energy: 1.041808450349181
Energy: 1.063656918167597
Energy: 1.25410401389038
Energy: 1.0327528195351496
Energy: 1.0389956625187269
Energy: 1.0433128980831248
Energy: 1.1696985881966344
Energy: 1.12445390130858
Energy: 1.0355994087179328
Energy: 1.0633406263064689
Energy: 1.0526817933091859
Energy: 1.1603629221668956
Energy: 1.0758672376017615
Energy: 1.0317460571600914
Energy: 0.9978371650258242
Energy: 1.0183087097811887
Energy: 0.9842029987733389
Energy: 1.0936632659458856
Energy: 1.1120863570289192
Energy: 0.9257650513354018
Energy: 1.1206386928535899
Energy: 1.1054958274338826
Energy: 1.0976105233952713
Energy: 1.0218305988070022

minimum gb energy = 0.855126528898784 eV
minimum distance =  2.25268350026474 Angstroms
sigma value = 437


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

Energy: 1.002114353731071
Energy: 0.9536384838214655
Energy: 0.9909787393573882
Energy: 0.9299595800642078
Energy: 0.9999418407853147
Energy: 1.1819535860281074
Energy: 1.0206843835854815
Energy: 1.0321365452246651
Energy: 0.9800247701396411
Energy: 0.9517590799731442
Energy: 1.0064726123510999
Energy: 1.1387881182210344
Energy: 1.0795308556713734
Energy: 1.0912807726010445
Energy: 1.0780483447441982
Energy: 0.9213826681450998
Energy: 1.147549449432591
Energy: 1.1003186004196694
Energy: 1.1471602606373736
Energy: 1.083261690840214
Energy: 0.9236655840861656
Energy: 0.9048995878214545
Energy: 1.027541423098411
Energy: 0.887411217746087
Energy: 0.9992435954443829
Energy: 0.9379758867514411
Energy: 1.0972124070835638
Energy: 1.0215583506765227
Energy: 0.9092456967347792
Energy: 0.9867817140267244
Energy: 0.8905401645476687
Energy: 0.8081829740368486
Energy: 1.0049300123515672
Energy: 0.9673029051392552
Energy: 0.9852498344087165
Energy: 0.8443997927013455
Energy: 0.7933923450387287
Energy: 0.9650747909274086
Energy: 0.9375779902832753
Energy: 0.9784251817395868
Energy: 0.9968550657303032
Energy: 0.9511601928054931
Energy: 0.9751887783805264
Energy: 0.8300591508129712
Energy: 1.0961486603038815
Energy: 1.0090833428179082
Energy: 0.9118295311257233
Energy: 0.9737518146731893
Energy: 0.9173073929458441
Energy: 1.1114740853410563
Energy: 0.8058904188408313
Energy: 0.8506665562793877
Energy: 1.0466023027701254
Energy: 0.9931761819052205
Energy: 0.9262887780928217
Energy: 0.8044992108827219
Energy: 0.9222668750751917
Energy: 1.0069890076931651
Energy: 0.941478464571756
Energy: 1.1587410125551025
Energy: 0.9337142636623913
Energy: 0.8991710641065273
Energy: 0.9282711214717954
Energy: 1.0852656163437293
Energy: 1.0901872613360655
Energy: 0.915962005133427
Energy: 0.9069825645865911
Energy: 0.90383917565821
Energy: 1.0784994283063476
Energy: 1.0878863812900876
Energy: 1.0995091913698087
Energy: 0.9204404869285716
Energy: 0.9303260964600291
Energy: 1.1285951131469403
Energy: 1.0932915811390744
Energy: 0.8940211488232424
Energy: 0.89341464503658
Energy: 0.9164197353442941
Energy: 1.0509741853720285
Energy: 1.1402638760272203
Energy: 0.800303108807217
Energy: 1.0505987337476261
Energy: 1.0214664279083174
Energy: 1.1481573916982815
Energy: 0.8296090631882038
Energy: 0.8149887430704218
Energy: 0.9010654769640021
Energy: 0.9570265403681905
Energy: 1.106183584340988
Energy: 0.8694915512596415
Energy: 0.9608388415496972
Energy: 1.0864884054487343
Energy: 0.8259076327851477
Energy: 1.1073377637412145
Energy: 0.9880343542873548
Energy: 0.9573011515756551
Energy: 1.1591420416880835
Energy: 0.8326472620443895
Energy: 1.274266277620288
Energy: 0.9779310201196054
Energy: 0.9401813869511678
Energy: 0.8999034359933592
Energy: 0.9788244959142799
Energy: 0.938637924116978
Energy: 0.8506040221697287
Energy: 0.8445659625079984
Energy: 0.8949450760768053
Energy: 1.0819937439010452
Energy: 0.9695920006962973
Energy: 0.9138738181211887
Energy: 0.8491994502243116
Energy: 0.840305896851
Energy: 0.8565948215873322
Energy: 1.1049454450260825
Energy: 0.8269709269135063
Energy: 0.8499584221933367
Energy: 0.811349396427218
Energy: 1.0782302651874085
Energy: 1.0809317677760446
Energy: 0.8177833144757507
Energy: 0.9118220491129142
Energy: 0.8396609730254733
Energy: 1.138256312729124
Energy: 1.1011881289053829
Energy: 1.0963253317584867
Energy: 0.9048385270751109
Energy: 0.856143322737045
Energy: 1.129125827657289
Energy: 1.1095537896334704
Energy: 0.8488941448600791
Energy: 0.8929590511887285
Energy: 0.9953452921710659
Energy: 1.1925858530514866
Energy: 1.0115803195483948
Energy: 0.7824789166383943
Energy: 0.8863123063001261
Energy: 1.01699572317665
Energy: 1.0335366295385884
Energy: 0.869201690386333
Energy: 0.9269160916658342

minimum gb energy = 0.7824789166383943 eV
minimum distance =  2.25400655039506 Angstroms
sigma value = 33