Model name: model_name=EAM_Dynamo_FarkasCaro_2018_FeNiCrCoCu__MO_803527979660_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.52000077366829
cohesive_energy=4.450350029951057
mass=58.6934
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=[6.53213822388336e-20, 1.42254058979592e-19, 2.41100346414222e-19, 3.3853671841093195e-19, 4.1388868768458594e-19, 4.67882040250386e-19, 5.07933251747118e-19, 5.40064904141988e-19, 5.66620981850538e-19, 5.88830354351046e-19, 6.075726166155779e-19, 6.2375940714888e-19, 6.38198222974488e-19, 6.51454632444204e-19, 6.63626368332702e-19, 6.7456442821302e-19, 6.841294227179999e-19, 6.92273286548622e-19, 6.990280632375659e-19, 7.043985593147339e-19, 7.083815704268579e-19, 7.11044387992566e-19, 7.1251678831921205e-19, 7.1296860213e-19, 7.125087774360419e-19, 7.110331727561279e-19, 7.084152161361718e-19, 7.04440215907218e-19, 6.987060257341319e-19, 6.90715970860374e-19, 6.798436002220499e-19, 6.653086537984019e-19, 6.46321258508868e-19, 6.22179660987756e-19, 5.92335916826238e-19, 5.5644395587137e-19, 5.14446099764328e-19, 4.66276659263118e-19, 4.11680888282934e-19, 3.5014929465416396e-19, 2.81425530115368e-19, 2.11176493421004e-19, 1.515617439171516e-19, 1.238447290196052e-19, 1.8258565138727398e-19, 4.659225782270039e-19, 1.3311364128262197e-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: 0.020482209144566263
Energy: 0.6382194311522577
Energy: 0.17738445406662828
Energy: 0.17634256015660807
Energy: 0.025343375288831987
Energy: 0.02238914852709287
Energy: 0.17578496647036
Energy: 0.17884799954564026
Energy: 0.17595882331703774
Energy: 0.02432248273764339
Energy: 5.037671745202546
Energy: 5.067871886607588
Energy: 0.17478780543878497
Energy: 0.1796735355069763
Energy: 0.17327013887813883
Energy: 5.036302795425854
Energy: 5.059775247856085
Energy: 0.17370530949243337
Energy: 0.1751800086374707
Energy: 0.1734599141219221
Energy: 0.1800815928531441
Energy: 0.025874762903239142
Energy: 0.021048744355981103
Energy: 0.1753904492558242
Energy: 0.1762520799810879
Energy: 0.1770463032364457
Energy: 0.02442497214843221
Energy: 0.02086461602606985
Energy: 0.17627058520604513
Energy: 0.17786866627384146
Energy: 0.17906500053584082
Energy: 0.0223407090450512
Energy: 0.0218915631844761
Energy: 5.025568237612239
Energy: 0.17382897508201567
Energy: 0.18010606259781564
Energy: 0.02215088061374076
Energy: 0.021139949483291173
Energy: 5.065730096340254
Energy: 0.17329062037461757
Energy: 0.17759042228876806
Energy: 0.17510240410298902
Energy: 5.046829793015147
Energy: 0.02265446295214505
Energy: 0.021007834382950213
Energy: 0.17645570587162693
Energy: 0.17641113254509122
Energy: 5.058618692458003
Energy: 0.023669185246509794
Energy: 0.17336634597130765
Energy: 0.17981269481932247
Energy: 0.1744137514124745
Energy: 0.17739070099139634
Energy: 0.021858944890791553
Energy: 0.021075017367129908
Energy: 0.18208010253620047
Energy: 1.2033855651920875
Energy: 0.17946866734724704
Energy: 0.02175020222947794
Energy: 0.021304361283360954
Energy: 0.021533238535438405
Energy: 0.17322637483970132
Energy: 0.17842085486803003
Energy: 0.1790806764985268
Energy: 5.109012540782703
Energy: 0.029073183433392973
Energy: 0.17366527901406917
Energy: 0.17728768138006037
Energy: 0.1805545421375297
Energy: 0.1822105953481474

minimum gb energy = 0.020482209144566263 eV
minimum distance =  2.45246545097688 Angstroms
sigma value = 3


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

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Energy: 1.598805926301818
Energy: 1.8401927376270042
Energy: 1.8389357754582922
Energy: 1.6649784345097893
Energy: 1.7032002877757795
Energy: 1.5932690750035718
Energy: 1.837601846036604
Energy: 1.8385337723310802
Energy: 1.6500642454508305
Energy: 1.5031246760154835
Energy: 1.6157928014732117
Energy: 1.564242043323354
Energy: 1.3611296261956285
Energy: 1.3342124320334912
Energy: 1.330285123984851
Energy: 1.7346929362472607
Energy: 1.5721055756032465
Energy: 1.371640907461712
Energy: 1.5811400129027466
Energy: 1.5667672405081148
Energy: 1.6562471901160944
Energy: 1.4472669814346355
Energy: 1.6391237161699144
Energy: 1.6863859784606134
Energy: 1.3201552594927182
Energy: 1.48547157831883
Energy: 1.4925330606469447
Energy: 1.5172650881533212
Energy: 1.6314412229937156
Energy: 1.6546262927937245
Energy: 1.3654522956533344
Energy: 1.7667897870786593
Energy: 1.3410276453884968
Energy: 1.4252805288072243
Energy: 1.5240313197014854
Energy: 1.589922508696178
Energy: 1.7650410100450973
Energy: 1.3802696060193165
Energy: 1.6480037522547324
Energy: 1.671757954634291
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Energy: 1.6505610928669245
Energy: 2.4410408830337103
Energy: 1.4390578019402334
Energy: 1.6398264586052267
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Energy: 1.7284797224510098
Energy: 2.419828806641662
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Energy: 1.8750406694800241
Energy: 2.402232022260673
Energy: 1.7643589797776762
Energy: 1.419895949050797
Energy: 2.4099932739057204
Energy: 1.9418999422000236
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Energy: 1.6610106069952437
Energy: 1.4335886770180057
Energy: 1.8075512318489988
Energy: 1.93284433741693
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Energy: 1.6199986742282757
Energy: 1.9469238210866187
Energy: 1.6141124561924962
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Energy: 1.3167163831232147
Energy: 1.6155612869073641
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Energy: 1.9910213112526687
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Energy: 1.6555515181752363
Energy: 1.7866133586989248
Energy: 1.703566747866227
Energy: 2.0017924756544683
Energy: 2.0813937553763475
Energy: 1.6605820275664749
Energy: 1.9034128520343327
Energy: 1.697927782027806
Energy: 2.2205351353391514
Energy: 1.9308989503365457
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Energy: 1.1903580719971234
Energy: 1.4481921710526324
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Energy: 1.5492660493209085
Energy: 1.4138019728861728
Energy: 1.3136199725410858
Energy: 1.657791238370613
Energy: 1.7262240245638174
Energy: 1.519194724638112
Energy: 1.1913395330088035
Energy: 1.1895362886900829
Energy: 1.3759520697151149
Energy: 1.4342993648826106
Energy: 1.4964687294635728
Energy: 1.416705709887063
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Energy: 1.4809311815218076
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Energy: 1.1897598114386472
Energy: 1.1926619567421086
Energy: 1.37104438517992
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Energy: 1.5539703897602328
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Energy: 1.3709342131998885
Energy: 1.8927950263832531
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Energy: 1.3484308307689483
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Energy: 2.432386377068732
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Energy: 1.6735952494177293
Energy: 1.9152920317899487
Energy: 1.6987960140909995
Energy: 1.4221134624677627
Energy: 1.1913316377554686
Energy: 1.8755954941404258
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Energy: 1.5801007827057132
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Energy: 1.6460126378568756
Energy: 1.8692751418122786
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Energy: 1.466479530111665
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Energy: 1.6988821883381602
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Energy: 1.6552379691125614
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Energy: 1.645658301817252
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Energy: 1.47720438973908
Energy: 1.4886726008962226
Energy: 1.934931233413865
Energy: 1.6950455563317488
Energy: 1.4247410736380748
Energy: 1.2883876502366882
Energy: 1.6537965898580416
Energy: 1.6263638458764413
Energy: 1.6180061822321306
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Energy: 1.3241818439373312
Energy: 1.676915132318318
Energy: 1.6233179267291664
Energy: 1.484052626657103
Energy: 1.6802085861354028
Energy: 1.4564081576026382
Energy: 1.4880963883711789
Energy: 1.65735482968032
Energy: 1.474965011965131
Energy: 1.525390000688329
Energy: 1.4254224075401964
Energy: 1.434579935064493
Energy: 1.5803424007130533
Energy: 1.8225449946060872
Energy: 1.468712576983263
Energy: 1.7125089602786796
Energy: 1.4831744917491019
Energy: 1.4774608871206563
Energy: 1.5092542511406413
Energy: 1.4703896921456399
Energy: 1.4915773311215723
Energy: 1.37954208946528
Energy: 1.6713787075409683
Energy: 1.903219871680771
Energy: 1.3855009618463485
Energy: 1.4441779992743489
Energy: 1.6514067474991738
Energy: 1.5659492206287393
Energy: 1.9039164877115706
Energy: 1.7037898349256553
Energy: 1.4939684141076313
Energy: 1.693619105216611
Energy: 1.6072895826947362
Energy: 1.831387768932456
Energy: 1.6441233066496976
Energy: 1.7425489191218524
Energy: 2.4296962167158025
Energy: 1.904699348363971
Energy: 1.330680196381676
Energy: 2.451103095115254
Energy: 1.5595668390266257
Energy: 1.9847835850705735
Energy: 1.8757397221395422
Energy: 1.6151203360261264
Energy: 1.5767032766761555
Energy: 1.6491505303789962
Energy: 1.5758605614849774
Energy: 1.636115817193521
Energy: 1.328436696181222
Energy: 1.3349290066308914
Energy: 1.8542754159646007
Energy: 1.892840433314185
Energy: 1.7208163030549266
Energy: 1.6620382914875067
Energy: 1.6062497116872758
Energy: 1.8401359545774907
Energy: 1.8442123684666332
Energy: 1.5886387308673435
Energy: 1.9117696617923863
Energy: 1.5992843461345396
Energy: 1.8392552275956318
Energy: 1.8365960129366992
Energy: 1.6138012502741637

minimum gb energy = 1.1895362886900829 eV
minimum distance =  2.22292448125765 Angstroms
sigma value = 75


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

Energy: 3.4280526674653284
Energy: 1.464355991686503
Energy: 1.5344078771188165
Energy: 2.2911285646677624
Energy: 1.4793570296581844
Energy: 2.1735561548133493
Energy: 1.467860549328106
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Energy: 1.547202766599546
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Energy: 1.525625029555513
Energy: 1.693969124229519
Energy: 1.4156112306866069
Energy: 2.049675822595188
Energy: 1.5397220653855257
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Energy: 1.416657743511236
Energy: 2.0501556063165842
Energy: 1.5415365766232971
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Energy: 1.52241147931706
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Energy: 1.5193044285122
Energy: 1.5483687952102807
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Energy: 2.3228117367084966
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Energy: 1.5342384627286714
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Energy: 2.3212105031975985
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Energy: 1.5165642094628575
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Energy: 2.3300050726808785
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Energy: 1.4973867023820941
Energy: 2.3014548826404093
Energy: 1.8327280756169562
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Energy: 1.452026333518163
Energy: 1.6333170667415329
Energy: 1.6276760510241455
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Energy: 2.4227695658624695
Energy: 1.4988715775014694
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Energy: 1.4970478094213109
Energy: 2.3111369000386963
Energy: 2.409737426936789
Energy: 1.4861426158592994
Energy: 2.2009927060357235
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minimum gb energy = 1.4147398462671394 eV
minimum distance =  2.23470052178928 Angstroms
sigma value = 105


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

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Energy: 1.559728635284729
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Energy: 1.559129458341038
Energy: 1.5553744775381726
Energy: 1.6615761194266185
Energy: 1.5629914890257066
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Energy: 1.558589843679362
Energy: 1.9784555038194178
Energy: 1.9486466808954
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Energy: 1.964272409656052
Energy: 1.974657790810899
Energy: 1.6559799045086927
Energy: 1.664833358238335
Energy: 1.6535276217995811
Energy: 1.5772140590226438
Energy: 1.5658042155380716
Energy: 1.5567444572425215
Energy: 2.6373674695008775
Energy: 1.5756365631662097
Energy: 1.593058777720951
Energy: 1.5571339372676372
Energy: 1.5558338066779305
Energy: 1.6343944256887695
Energy: 1.5833534157592346
Energy: 1.48807142494836
Energy: 1.5774620754533997
Energy: 1.55965792172242
Energy: 1.5494144612921177
Energy: 1.5748621064374229
Energy: 1.4894956043211436
Energy: 1.5570696783147235
Energy: 1.5558947726352883
Energy: 1.589841340641271
Energy: 1.5617333257744277
Energy: 2.5444971440975688
Energy: 1.6365074261607753
Energy: 2.178776983319107
Energy: 1.664577907411154
Energy: 1.5875692014975584
Energy: 1.561981972532495
Energy: 1.6605809344572662
Energy: 2.1875900141116396
Energy: 1.6586170785412975
Energy: 1.5561882487257073
Energy: 1.5695050903855239
Energy: 1.4664205789080071
Energy: 1.544346615208215
Energy: 1.5609857804273022
Energy: 1.5391169683958172
Energy: 1.5936955250023974
Energy: 1.4787397165464429
Energy: 1.5560648645685828
Energy: 1.5564231837004328
Energy: 2.7033858423288777
Energy: 1.4773135057395006
Energy: 1.6085802529320206
Energy: 1.51165029544485
Energy: 1.4900421891644844
Energy: 2.738189033259167
Energy: 1.4664892095821036
Energy: 1.6131785698023196
Energy: 1.6253285452736321
Energy: 1.6036470151981075

minimum gb energy = 1.4070434256597517 eV
minimum distance =  2.23832753635712 Angstroms
sigma value = 165


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

Energy: 1.9625697143245884
Energy: 1.4552065438351345
Energy: 1.4439985894905472
Energy: 1.5244290447860482
Energy: 1.363019279830607
Energy: 1.8435497183114775
Energy: 1.491544681221667
Energy: 1.494211964829884
Energy: 1.5436796579063161
Energy: 1.4544756946364716
Energy: 1.621010115868187
Energy: 1.5493329992157894
Energy: 1.5219249747470542
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Energy: 1.669172436092653
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Energy: 2.3139833376256864
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Energy: 1.5184538717774243
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Energy: 1.603709573618271
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Energy: 1.5765499281176023
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Energy: 1.5809725362163953
Energy: 1.6001819087677593
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Energy: 1.596283031986583
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Energy: 1.5917563812364581
Energy: 2.310242654378084
Energy: 1.5875712357815899
Energy: 1.554875282409234
Energy: 1.5293585113554757
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Energy: 2.3177260392232006
Energy: 1.5802776457719294
Energy: 1.5942551835613759
Energy: 1.4181007126204248
Energy: 1.4150302073689067
Energy: 2.3190593987466226
Energy: 1.5459442676495567
Energy: 1.5110422913931283
Energy: 1.527058370109092
Energy: 1.5248669081267414
Energy: 1.9695032703354807
Energy: 1.7821482925267247
Energy: 1.516350715620139
Energy: 1.4143283116681815
Energy: 1.5084336414403634
Energy: 1.5298904127808557
Energy: 1.583390614920893
Energy: 1.5202143630854774
Energy: 1.521140343565084
Energy: 1.520796045543569
Energy: 1.454746645284336
Energy: 1.510592776659998
Energy: 1.4363755457472995
Energy: 1.5817187828444745
Energy: 1.4229237720249923
Energy: 1.5150735747931323
Energy: 1.4543247944168316
Energy: 1.4355553173708118
Energy: 1.500962338587763
Energy: 1.4278529305478753
Energy: 1.8474905778787483
Energy: 1.4282255039979153
Energy: 1.5594114210509746
Energy: 1.8993539307112832
Energy: 1.4853607842461543
Energy: 1.4983059692699823
Energy: 1.5109783529268463
Energy: 1.5196731472111833
Energy: 1.8638663266898237
Energy: 1.5060748706088916
Energy: 1.6051854214487549

minimum gb energy = 1.363019279830607 eV
minimum distance =  2.26844314775711 Angstroms
sigma value = 41


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

Energy: 2.922752450128635
Energy: 1.5170801667241742
Energy: 1.310854972882258
Energy: 1.308144794474152
Energy: 1.255700279429966
Energy: 1.313607125477358
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Energy: 1.384351575570307
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Energy: 1.4462597590724633
Energy: 1.853361779935825
Energy: 1.3838218625786467
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Energy: 1.4154446386276618
Energy: 1.3409252638031481
Energy: 1.3890496661074365
Energy: 1.328509975678177
Energy: 1.3590832028635111
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Energy: 1.414460181293259
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Energy: 1.3489349126477304
Energy: 1.3408880588235554
Energy: 1.4054591505132976
Energy: 1.4269499313679843
Energy: 1.3855557517527013
Energy: 1.2822509991272233
Energy: 1.3404693260821279
Energy: 1.408447694486331
Energy: 1.4269823076779444
Energy: 1.4242961151192022
Energy: 1.3121611515670233
Energy: 1.4665930889579328
Energy: 1.3726004624830184
Energy: 1.359742157032313
Energy: 1.3336943204355194
Energy: 1.3402700452595548
Energy: 1.4909818533143508
Energy: 1.3549082741539913
Energy: 1.3403324097790408
Energy: 1.345366243240758
Energy: 1.3673406867467963
Energy: 1.2937393479057548
Energy: 1.344385875308372
Energy: 1.339531434980415
Energy: 1.3266199559309362
Energy: 1.5862759596542897
Energy: 1.2696579679955997
Energy: 1.3566235026783995
Energy: 1.3271063733198492
Energy: 1.2991249134366416
Energy: 1.616532789188175
Energy: 1.323536807175037
Energy: 1.3392922130952236
Energy: 1.3938711675895192
Energy: 1.2961005309161402
Energy: 1.3678411432806747
Energy: 1.2957386921566532
Energy: 1.3264911786311613
Energy: 1.3185836002911053
Energy: 1.2800276032672546
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Energy: 1.44981297714655
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Energy: 1.4013197870128338
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Energy: 1.3501722534803022
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Energy: 1.9064709950160679
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Energy: 1.3548923141107798
Energy: 2.182363341228435
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Energy: 1.9326091613330554
Energy: 1.4678403233748345
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Energy: 1.3101785351407462
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Energy: 1.351095588014888
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Energy: 1.3799395936706944
Energy: 1.3777569989285723
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Energy: 1.3816009871488042
Energy: 1.4007938003870475
Energy: 1.4017242465954498
Energy: 1.4179724896251509
Energy: 1.6878684684385383
Energy: 1.37703103757065
Energy: 1.3798815012387577
Energy: 1.390101779917413
Energy: 1.4689100462443008
Energy: 1.3813424786914745
Energy: 1.4181664760568933
Energy: 1.46520639158165
Energy: 1.3495548993695414
Energy: 1.4659848590989533
Energy: 1.3304947764135966
Energy: 1.4006225582105611
Energy: 1.4349539678648444
Energy: 1.403860681166695
Energy: 1.4056910073582392
Energy: 1.4339864194782055
Energy: 1.3811284127551982
Energy: 1.379004229984408
Energy: 1.3865944217586408
Energy: 1.4053196839273907
Energy: 1.4108107204803768
Energy: 1.3800096809402975
Energy: 1.3800017688920465
Energy: 1.3538494825637348
Energy: 1.366516789306071
Energy: 1.3967629437790818
Energy: 1.3596246174288988
Energy: 1.3572102447912766
Energy: 1.336312304079263
Energy: 1.3896213685082177
Energy: 1.3899635126489767
Energy: 1.3804538016208279
Energy: 1.4419436985521175
Energy: 1.4628345759151773
Energy: 1.3882159354560486
Energy: 1.4090639812532926
Energy: 1.3390650085711187
Energy: 1.8471538025078473
Energy: 1.4478427460400618
Energy: 1.3892173725079853
Energy: 1.4014455468069402
Energy: 1.3828704531050884
Energy: 1.8518850962921445
Energy: 1.405554903650403
Energy: 1.392478402313443
Energy: 1.3384531398489734
Energy: 1.3382175782852916
Energy: 1.3379580767560917
Energy: 1.3579790505023979
Energy: 1.3340208954484292
Energy: 1.3552573584721312
Energy: 1.351183435797196
Energy: 1.3385066676875663
Energy: 1.3633493828149768
Energy: 1.3237483656089175
Energy: 1.3338809493401453
Energy: 1.264457378247591
Energy: 1.4062313761229575
Energy: 1.3635561593350254
Energy: 1.324940205224447
Energy: 1.3586497474289072
Energy: 1.4600281386034482
Energy: 1.3973387395264885
Energy: 1.3465774451837846
Energy: 1.4059535354262136
Energy: 1.3747325473447225
Energy: 1.500517140029394
Energy: 1.2554814976961626
Energy: 1.297981867603542
Energy: 1.3725234703846747
Energy: 1.3577177789011092
Energy: 1.4782265826055252
Energy: 1.4023353447931652
Energy: 1.4386631519572202
Energy: 1.35698684905811
Energy: 1.59095100311721
Energy: 1.5840506972146968
Energy: 1.3214243564410468
Energy: 1.295639090970708
Energy: 1.2754204501081015
Energy: 1.4369170768216066
Energy: 1.3109864506792366
Energy: 1.350745096540419

minimum gb energy = 1.2534272676263984 eV
minimum distance =  2.29504631466129 Angstroms
sigma value = 185


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

Energy: 0.7241884386705375
Energy: 1.0726379772895618
Energy: 0.8879770431232447
Energy: 0.8843179107014171
Energy: 0.6728473036528735
Energy: 0.672863907290227
Energy: 0.9000923737186746
Energy: 0.8861479549249979
Energy: 0.856640588561786
Energy: 0.724405245456237
Energy: 1.1435788806744445
Energy: 0.8892141987512564
Energy: 0.8851549526908604
Energy: 0.8783374402386877
Energy: 2.7536262538613583
Energy: 0.8570292438502719
Energy: 0.8549004591521665
Energy: 0.8679599658823683
Energy: 0.8815160681170072
Energy: 2.8865068531822207
Energy: 0.8406741622922129
Energy: 0.885441608581852
Energy: 0.8681483909366601
Energy: 0.8741998195492343
Energy: 0.6151027340455738
Energy: 0.8512110472038888
Energy: 0.887973599067536
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Energy: 0.61484962492513
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Energy: 0.8721279553837328
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Energy: 0.8645327828721797
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Energy: 0.614018702126494
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Energy: 0.8766614406076544
Energy: 0.9046188995623295
Energy: 0.6173229999796122
Energy: 0.9049272801002338
Energy: 0.9278498013736781
Energy: 0.8792427505175348
Energy: 0.8635265266343086
Energy: 2.770190472864058
Energy: 0.8746651208706575
Energy: 0.9228190917785463
Energy: 0.8652258826260633
Energy: 2.7578414062911323
Energy: 2.7883605917479213
Energy: 0.8469282330771022
Energy: 0.8828346798386805
Energy: 0.8748704081226282
Energy: 0.5576112147605342
Energy: 0.592938821274583
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Energy: 0.9152388323603224
Energy: 0.8821610133554137
Energy: 0.5577256604004424
Energy: 0.5887516570944857
Energy: 0.9587140325205682
Energy: 0.9317797879093342
Energy: 0.9450377915347573
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Energy: 0.5585407621323756
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Energy: 0.9305092406346774
Energy: 1.0029279183059594
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Energy: 0.8800327174211333
Energy: 0.892292212642116
Energy: 0.8894591351170029
Energy: 0.8908879834355834
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Energy: 0.9356697997579185
Energy: 0.9304109790846474
Energy: 0.8890523127254892
Energy: 1.0170919874564504
Energy: 2.831298617896353
Energy: 0.9418730018101632
Energy: 0.910594198672812
Energy: 0.8696462367167879
Energy: 0.5570939437466833
Energy: 0.5576339267090858
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Energy: 0.9082594167975812
Energy: 0.8481349621580284
Energy: 0.5572019371271107
Energy: 0.5578717645192315
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Energy: 0.9285429681993945
Energy: 0.8827695000682044
Energy: 0.573398803194975
Energy: 0.9324359049607361
Energy: 0.921602930848746
Energy: 0.9272768349006673
Energy: 0.8855557441221151
Energy: 0.5716868759951784
Energy: 0.901514419880079
Energy: 0.9224339929675673
Energy: 0.8818002919255338
Energy: 0.910262091151974
Energy: 0.570937981537528
Energy: 0.8847029313849583
Energy: 0.9280775032524757
Energy: 0.8795716905083035
Energy: 0.5890505692595958
Energy: 0.5710556578659364
Energy: 0.8855172232450369
Energy: 0.9278828271218157
Energy: 0.8824597290070411
Energy: 0.5579037159113064
Energy: 0.5571193443052054
Energy: 0.9076242118521007
Energy: 0.9314373734511627
Energy: 0.8817521814107385
Energy: 0.5576827046080347
Energy: 0.5571386727023542
Energy: 0.9106097851456868
Energy: 0.9311603105618487
Energy: 0.8850098809811341
Energy: 2.8261450267826844
Energy: 0.9380161434482585
Energy: 0.8841808697944761
Energy: 0.9310533141371975
Energy: 0.8862524106606248
Energy: 2.8276775065960598
Energy: 0.8901393428009609
Energy: 0.9303711231087821
Energy: 0.929883498494888
Energy: 0.55831730074953
Energy: 0.5577132244754901
Energy: 0.8941788399417805
Energy: 0.8840625804410719
Energy: 0.9875530971017413
Energy: 0.5583997015207363
Energy: 0.5579160876599696
Energy: 0.8926569781785134
Energy: 0.8843885388992799
Energy: 0.9553839446010571
Energy: 0.5929148644610629
Energy: 0.557746180746948
Energy: 0.8873672780630832
Energy: 0.9293039394602856
Energy: 0.9282934914675147
Energy: 0.5923813745876424
Energy: 0.5577029221627529
Energy: 0.8881430868727178
Energy: 0.9309170097015694
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Energy: 0.8889116471505872
Energy: 2.843898340385302
Energy: 0.9238755061049707
Energy: 0.9003688561715855
Energy: 0.9328442044350987
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Energy: 0.947111564746228
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Energy: 0.89739968474539
Energy: 0.9329633781116163
Energy: 0.5599212861732273
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Energy: 0.9114109524141323
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Energy: 0.8966605523355694
Energy: 1.9086107517694078
Energy: 0.9185071583557709
Energy: 0.888620996428206
Energy: 0.5885062278054844
Energy: 0.8983292825301284
Energy: 0.9286802986571644
Energy: 0.9178688749311784
Energy: 0.9038347084771732
Energy: 0.9499033299535139
Energy: 0.9883586141876753
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Energy: 0.8605838049907728
Energy: 0.59181866605271
Energy: 0.9482960056695462
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Energy: 0.9097953075039281
Energy: 0.8643475448808658
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Energy: 0.5579631213351359
Energy: 0.922823667179902
Energy: 0.8955634399464542
Energy: 0.8725394044807084
Energy: 0.5571429501252798
Energy: 0.5581257649578362
Energy: 0.9673739071566623
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Energy: 0.5586259218993481
Energy: 0.5565190543678622
Energy: 0.9090008823935288
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Energy: 0.8973216046222379
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Energy: 0.5590893402072741
Energy: 0.9079736593179017
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Energy: 0.9660935778850345
Energy: 0.9291421578543445
Energy: 0.918265226811397
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Energy: 0.8881423948975703
Energy: 2.823481016445413
Energy: 0.8971490960591118
Energy: 0.9184832583414191
Energy: 0.9275720601784053
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Energy: 2.8813462366145712
Energy: 0.8973298423794248
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Energy: 0.8870464375785312
Energy: 0.8777028899274534
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Energy: 0.885644922274997
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Energy: 0.5876478097122804
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Energy: 0.9032387522034406
Energy: 0.9288276592238653
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Energy: 0.5592467623954879
Energy: 0.9872746465634956
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Energy: 0.9805867563993219
Energy: 0.8388000412909448
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Energy: 0.8838717682326108
Energy: 0.8845615883449545
Energy: 0.8409138648513248
Energy: 0.916763118540059
Energy: 0.9967007632177873
Energy: 0.8872137964760548
Energy: 0.8394323364456813
Energy: 0.5573373135063066
Energy: 0.5577945356750078
Energy: 0.9020905928778211
Energy: 0.9263550676913468
Energy: 0.8380157930060488
Energy: 0.5572980851875807
Energy: 0.5576564019210066
Energy: 0.8698718723855653
Energy: 0.932819630039241
Energy: 0.8665602626597538
Energy: 0.8739321503913946
Energy: 0.5599608289774352
Energy: 0.8925112418556562
Energy: 0.9298608914929097
Energy: 0.8354453572839671
Energy: 0.842148031232024
Energy: 0.8427531768804557
Energy: 0.8433050432616587
Energy: 0.9291335539471849
Energy: 0.8823299557327026
Energy: 0.6436300379872115
Energy: 0.863408468137445
Energy: 0.8943305917841045
Energy: 0.8806336919151928
Energy: 0.8431657487210177
Energy: 0.6354899663661798
Energy: 0.8368736687422605
Energy: 0.948835508197444
Energy: 0.835122058574318
Energy: 0.6151414268276476
Energy: 0.6181397381000664
Energy: 0.8713620819067616
Energy: 0.8690987531362092
Energy: 0.8503037980823053
Energy: 0.6142100999550874
Energy: 0.6137352271328838
Energy: 0.8441957560123338
Energy: 0.8606140334441337
Energy: 0.8632207122253766
Energy: 2.722894576969488
Energy: 0.9391816930238236
Energy: 0.8791725169918883
Energy: 0.9115362293866685
Energy: 0.8700194972471218
Energy: 0.8415169105477133
Energy: 0.9007633696635442
Energy: 0.8451276708299719
Energy: 0.9027603466859576
Energy: 0.8750885730574041
Energy: 0.7266261574812045
Energy: 0.9034891258134334
Energy: 0.8607910397489444
Energy: 0.8850248902828715
Energy: 0.8398356024600379
Energy: 0.6728908889167526
Energy: 0.8537338650205564
Energy: 0.8316069975476219
Energy: 0.9314207412581159
Energy: 0.7249278637911384

minimum gb energy = 0.5565190543678622 eV
minimum distance =  2.37558334420532 Angstroms
sigma value = 33


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

Energy: 2.371640041706015
Energy: 1.183955705059133
Energy: 1.2887651557183015
Energy: 1.1799493430168293
Energy: 1.1414987296435797
Energy: 2.2158461897844006
Energy: 1.1607304735485249
Energy: 1.2416517473866688
Energy: 1.218222161642363
Energy: 1.196576500784985
Energy: 1.1834876220271895
Energy: 1.186671356630308
Energy: 1.2276649735622969
Energy: 1.2273617075494596
Energy: 1.2030771409393297
Energy: 1.1560880851974817
Energy: 1.1719298803797962
Energy: 1.2338689659948285
Energy: 1.1818263432751013
Energy: 1.197654110632988
Energy: 1.2389957359335264
Energy: 1.1855086846994325
Energy: 1.184212716010747
Energy: 1.243500531329171
Energy: 1.1575959356574759
Energy: 1.188133200850973
Energy: 1.186464977119354
Energy: 1.1864127617895828
Energy: 1.2437936001877623
Energy: 1.1581038632543819
Energy: 1.320419611942922
Energy: 1.2334545855211945
Energy: 1.2328651345872887
Energy: 1.175930654892586
Energy: 1.2004421046170939
Energy: 1.32040427112833
Energy: 1.234471482932948
Energy: 1.22501030533855
Energy: 1.2355665328438834
Energy: 1.2126552253326648
Energy: 1.193264933125422
Energy: 1.1983084943367615
Energy: 1.2713791180587883
Energy: 1.1814066851336822
Energy: 1.1470747025935775
Energy: 1.2014061388220856
Energy: 1.2181632313946382
Energy: 1.2343458727606011
Energy: 1.1817114709275784
Energy: 1.1989182646178975
Energy: 1.1942755315267923
Energy: 1.193196715858408
Energy: 1.323346099210186
Energy: 1.2632656815122365
Energy: 1.1991863354075982
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Energy: 1.2026977081440455
Energy: 1.2670724194907603
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Energy: 1.3172963142967593
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Energy: 1.2340236691967696
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Energy: 1.255498080805338
Energy: 1.1813365989471754
Energy: 1.1950869263964876
Energy: 1.1733239663721449
Energy: 1.1833347650573276
Energy: 1.1808204185654745
Energy: 1.1814884150796332
Energy: 1.2013521667899443
Energy: 1.1736443464644375
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Energy: 1.1808811228058362
Energy: 1.1811345728964042
Energy: 1.1742848377531405
Energy: 1.1571635201946375
Energy: 1.2061479603060583
Energy: 1.2182281954203238
Energy: 1.180887662322542
Energy: 1.173902029497158
Energy: 1.3712595832031311
Energy: 1.2017151366772751
Energy: 1.1818453878190616
Energy: 1.6166382491358355
Energy: 1.2274914864399857
Energy: 1.1833188653472893
Energy: 1.1742250419158662
Energy: 1.175024514516596
Energy: 1.2882131478353296
Energy: 1.1810968751701125
Energy: 1.2344143591411294
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Energy: 1.2304468042456413
Energy: 1.1809647616900012
Energy: 1.2162445852093933
Energy: 1.211678597699225
Energy: 1.1734912323294024
Energy: 1.17405681504623
Energy: 1.1806619865299675
Energy: 1.1938632056724523
Energy: 1.2139240057730434
Energy: 1.1736433701453344
Energy: 1.1740240137818974
Energy: 1.2435325121362968
Energy: 1.2086266621376143
Energy: 1.2851343234917096
Energy: 1.2486354262896333
Energy: 1.1575459257973082
Energy: 1.2417680611936823
Energy: 1.2076183465603718
Energy: 1.285224758066084
Energy: 1.1940417882514662
Energy: 1.1572725947654765
Energy: 1.3090834018946467
Energy: 1.1473686050313618
Energy: 1.1737137682607421
Energy: 1.2406282673806464
Energy: 1.2722480606288393
Energy: 1.309171740363098
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Energy: 1.1895034209966342
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Energy: 1.1964283795637727
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Energy: 1.3022716912372334
Energy: 1.19948451176944
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Energy: 1.184769357968003
Energy: 1.1983921881504407
Energy: 1.2596674235208973
Energy: 1.3391333325550725
Energy: 1.1827389646602793
Energy: 1.1824988365601004
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Energy: 1.1769238211552953
Energy: 1.2463033839422275
Energy: 1.2515897668665013
Energy: 1.161380669731366
Energy: 1.1560012497156573
Energy: 1.1811595799241903
Energy: 1.4166832829326528
Energy: 1.1869252197140747
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Energy: 1.1390360899333694
Energy: 1.166104047708425
Energy: 1.252347565905108
Energy: 1.2257606084712867
Energy: 1.2730832508715197

minimum gb energy = 1.1390360899333694 eV
minimum distance =  2.252602401886 Angstroms
sigma value = 219


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

Energy: 2.429525058126747
Energy: 1.511429458224495
Energy: 1.5563946734755734
Energy: 1.5329759525659246
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Energy: 1.6118641391294102
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Energy: 1.5029600797136096
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Energy: 1.537066758791636
Energy: 1.5444944181042464
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Energy: 1.5028554915250465
Energy: 1.5558040894191896
Energy: 1.5294189755271312
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Energy: 1.5105544168710694
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Energy: 1.5546495801259854
Energy: 1.5113030847346915
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Energy: 1.5033077563751966
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Energy: 1.4873344625158875
Energy: 1.487650825466836
Energy: 1.5107020917823104
Energy: 1.5050979540986715
Energy: 1.5374870461642582
Energy: 2.1788420405238784
Energy: 1.5529035230385382
Energy: 1.5099729939847562

minimum gb energy = 1.452521154976221 eV
minimum distance =  2.29496728409281 Angstroms
sigma value = 15


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

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Energy: 1.7408218696323021
Energy: 1.7713347735701916
Energy: 1.7192650503310214
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Energy: 2.6813840308180525
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Energy: 2.0781299828775275
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Energy: 2.6048591042807345
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Energy: 1.7278857175283613
Energy: 2.5828617525825024
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Energy: 1.773203426705184
Energy: 1.7348722385484492
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Energy: 1.700007742745725
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Energy: 1.7291490815008232
Energy: 1.6805451862425753
Energy: 1.7924851193229236
Energy: 1.7057166370247032
Energy: 1.75601124260486
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Energy: 1.748194352432534
Energy: 1.7707101333607438
Energy: 1.6732071072564632
Energy: 1.7748123201795176
Energy: 1.8904339191048167
Energy: 1.6895178746598576
Energy: 1.7700429201022412
Energy: 1.675345729915232
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minimum gb energy = 1.6413991301881612 eV
minimum distance =  2.24864412755755 Angstroms
sigma value = 293


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

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Energy: 1.8387919785138542
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Energy: 1.6847610395699661
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Energy: 1.6872655255747806
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Energy: 1.6663218559525534
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Energy: 1.6739096825024389
Energy: 2.322386715960465
Energy: 1.728087310251358
Energy: 1.703931568508622
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Energy: 2.286733393207707
Energy: 1.7299598152368358
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Energy: 1.7890480966753486
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Energy: 1.9603832376933934
Energy: 2.3940478891559547
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Energy: 1.6728179670593681
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Energy: 2.4761538932508436
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Energy: 1.6619707772380174
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Energy: 1.7194273345540185
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Energy: 1.773005845765208
Energy: 2.3158770876617956
Energy: 2.0704304341868176
Energy: 1.7174165954257814
Energy: 1.6824208531489815
Energy: 2.422542269889217
Energy: 2.080557183241336
Energy: 1.6807686152827086
Energy: 1.7558125559442155
Energy: 2.523021907292825
Energy: 1.7086786030862429
Energy: 2.0758674128018098
Energy: 1.6839670840395775
Energy: 1.78000927044807
Energy: 2.555647101119666
Energy: 1.7489812006576646
Energy: 1.698995518087958
Energy: 1.6835759079354207
Energy: 1.7201670193776621
Energy: 1.6381772637780794
Energy: 1.6757230220599402
Energy: 1.6998994688548654
Energy: 1.6847472958262575
Energy: 1.7185214886612739
Energy: 1.6384406785739023
Energy: 1.6800128884440355
Energy: 1.8327326835863065
Energy: 1.7013686414926525
Energy: 1.7129557865681662
Energy: 1.683543350108564
Energy: 1.6802897546037243
Energy: 1.8313977099223466
Energy: 1.6790471888071965
Energy: 1.7683087979686791
Energy: 1.727136337866675
Energy: 1.7217560019770277
Energy: 1.762106605133283
Energy: 1.7266710229781996
Energy: 2.2749619918832935
Energy: 1.8062457304396944
Energy: 1.714695240238376
Energy: 1.7635256746784673
Energy: 1.7263910245294918
Energy: 2.29698923954862
Energy: 1.6749561593285862
Energy: 1.6796162525144045
Energy: 2.024185130119961
Energy: 1.7901107578003457
Energy: 1.7092779763124968
Energy: 1.7103453843427603
Energy: 1.701516049784404
Energy: 2.0254429597538706
Energy: 1.791118771610684
Energy: 1.7262123608846134
Energy: 1.7536924612806932
Energy: 1.681335230697165
Energy: 1.7684603500115075
Energy: 1.8164511876383655
Energy: 2.243346905460844
Energy: 1.7561981018257589
Energy: 1.6860356838825963
Energy: 1.76980108504753
Energy: 1.7699561948043212
Energy: 2.24491836658575
Energy: 1.7513580973350844
Energy: 1.634724924273696
Energy: 1.6832258802181075
Energy: 2.242309017032382
Energy: 2.2835010285902215
Energy: 1.7492331860534958
Energy: 2.5480739023579893
Energy: 1.6814297176323694
Energy: 2.2516221950773536
Energy: 2.274210900632806
Energy: 1.769443980307206

minimum gb energy = 1.6260964318036764 eV
minimum distance =  2.29054015040132 Angstroms
sigma value = 293


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

Energy: 1.5907801472112093
Energy: 2.09160810439007
Energy: 1.7609292982378193
Energy: 1.6411255943499647
Energy: 1.601936060404065
Energy: 1.590842026059113
Energy: 1.635386337828838
Energy: 1.760511943483686
Energy: 1.6874084769651316
Energy: 1.6001844471865732
Energy: 1.7837508959913155
Energy: 1.6225089498374348
Energy: 1.636211213636592
Energy: 1.6426142331957463
Energy: 1.6774595701717474
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Energy: 1.624202175057622
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Energy: 1.652813997625631
Energy: 1.678860613900803
Energy: 1.6898573053460517
Energy: 1.655720238018839
Energy: 1.6273054198772616
Energy: 1.631359491663046
Energy: 1.7736177362733667
Energy: 1.6864321901026011
Energy: 1.6241033969725525
Energy: 1.6238331762852434
Energy: 1.6346024543048243
Energy: 1.7726688489067
Energy: 1.7625770712597923
Energy: 1.5944671408726896
Energy: 1.5977217856050763
Energy: 1.6507564596255437
Energy: 1.7351758174678036
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Energy: 1.6000908972559662
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Energy: 1.7604920967936672
Energy: 1.6345329766621153
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Energy: 1.6171110636242205
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Energy: 1.615716392660567
Energy: 1.760918313649599
Energy: 1.591509425726186
Energy: 1.6513063133700827
Energy: 1.6223985323949814
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Energy: 1.7609674806994566
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Energy: 1.648827313522723
Energy: 1.6215532550067675
Energy: 1.6251246618404231
Energy: 1.684050671285176
Energy: 1.7744209206475638
Energy: 1.7587300182735774
Energy: 1.5926869214383634
Energy: 1.6004570171722226
Energy: 1.6836818433671106
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Energy: 1.5911477925631525
Energy: 1.6012406770889493
Energy: 1.6284993990915422
Energy: 1.6199075698554388
Energy: 1.650806248416398
Energy: 1.5961099813341655
Energy: 1.7456549382814575
Energy: 1.6334430957399282
Energy: 1.6478283777992666
Energy: 1.6780224907615573
Energy: 1.5948614994512584
Energy: 1.7707562027264039
Energy: 1.63770636957527
Energy: 1.6274366092093377
Energy: 1.7420950122109309
Energy: 1.7604085375829268
Energy: 1.6924716096480217
Energy: 1.6318893041931077
Energy: 1.6324431987310277
Energy: 1.7449593354730466
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Energy: 1.6558452230302936
Energy: 1.5955486404764911
Energy: 1.6430060144028822
Energy: 1.6342097919599357
Energy: 1.6285121781030456
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Energy: 1.5960965737275838
Energy: 1.6480902823147245
Energy: 1.590128154598397
Energy: 1.7660958862844758
Energy: 1.7451809104051017
Energy: 1.5895043168515004
Energy: 1.6353518202512798
Energy: 1.760727783215115
Energy: 1.692674121579353
Energy: 1.6021711907548493
Energy: 1.5892292162472272
Energy: 1.6346652232331804
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Energy: 1.6880615052155519
Energy: 1.6004591169210016
Energy: 1.7377568764452382
Energy: 1.6227834465990403
Energy: 1.6246574593837686
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Energy: 1.644078245665037
Energy: 1.7377340006711937
Energy: 1.6231890352206404
Energy: 1.6190199758280386
Energy: 1.6452511979209024
Energy: 1.6835028871353237
Energy: 1.6902259208022783
Energy: 1.6536849680496273
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Energy: 1.6306333862684348
Energy: 1.7758304347530502
Energy: 1.6523594315435073
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Energy: 1.7612764399648675
Energy: 1.7351983698218898
Energy: 1.764573615963466
Energy: 1.5944710189872329
Energy: 1.5974309028716538
Energy: 1.6508358055496115
Energy: 1.772239478765396
Energy: 1.7595489006689047
Energy: 1.5936079169706814
Energy: 1.5989535454038655
Energy: 1.6787534678272678
Energy: 1.7339839279618658
Energy: 1.689866731650161
Energy: 1.6002671110564393
Energy: 1.593242950590708
Energy: 1.627943024014853
Energy: 1.6342206357196918
Energy: 1.6821909510315913
Energy: 1.5990666886442475
Energy: 1.593821320581783
Energy: 1.6247128146432144
Energy: 1.6359211574866288
Energy: 1.6479225149449415
Energy: 1.7610590420654735
Energy: 1.6357647323854385
Energy: 1.6277278913891866
Energy: 1.6171659033950214
Energy: 1.6508813044500124
Energy: 1.7576283238868502
Energy: 1.6884418411767637
Energy: 1.6361958657964175
Energy: 1.6159782445907844
Energy: 1.760751369243234
Energy: 1.591297066950957
Energy: 1.6514122833860312
Energy: 1.622909694041437
Energy: 1.6260649082461995
Energy: 1.6332388518674072
Energy: 1.590056625337915
Energy: 1.6493958858645006
Energy: 1.6226540315342086
Energy: 1.7765368744136212
Energy: 1.6787765117266686
Energy: 1.7745534273348789
Energy: 1.7592607859216682
Energy: 1.5928561622103532
Energy: 1.60027150723926
Energy: 1.6819219602105917
Energy: 1.7434753110649102
Energy: 1.758099779803536
Energy: 1.5912095425984363
Energy: 1.6015116763145283
Energy: 1.6233669204078445
Energy: 1.6196328428758027
Energy: 1.6509377381681671
Energy: 1.5964300575178103
Energy: 1.7443154253127018
Energy: 1.6317980032300694
Energy: 1.6390848443125585
Energy: 1.678321820903447
Energy: 1.5950978103923616
Energy: 1.6322841290811494
Energy: 1.6361295616428493
Energy: 1.6246399400091354
Energy: 1.7396691879579191
Energy: 1.7676969687314656
Energy: 1.6927182999294383
Energy: 1.6304664339468053
Energy: 1.634932036929181
Energy: 1.7547860809621352
Energy: 1.6502161364771342
Energy: 1.6561884460564842
Energy: 1.5949527595975748
Energy: 1.6423483315082357
Energy: 1.6312052175388039
Energy: 1.763208878344966
Energy: 1.7411858240200921
Energy: 1.5955924305617126
Energy: 1.678273872995163
Energy: 1.5905191878826097
Energy: 1.76032084061172
Energy: 1.740772307320441

minimum gb energy = 1.5892292162472272 eV
minimum distance =  2.29409887251159 Angstroms
sigma value = 15


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

Energy: 3.118074948669721
Energy: 1.7969817525327494
Energy: 1.7917788976305913
Energy: 1.856759139873835
Energy: 1.717240795315148
Energy: 1.7862385755621384
Energy: 1.7718467821500228
Energy: 1.7139350620883163
Energy: 1.8727906852351728
Energy: 1.641921403928152
Energy: 1.6797598212396458
Energy: 1.8429364182458248
Energy: 1.7892407306712992
Energy: 1.8077505401488276
Energy: 1.7477311092018493
Energy: 1.6785300663528813
Energy: 1.857285635790307
Energy: 1.8102338858586806
Energy: 1.848591269773273
Energy: 1.6976949741850282
Energy: 1.9189871354086143
Energy: 1.7420222035619741
Energy: 1.9070834706667754
Energy: 1.7108025841854584
Energy: 1.974374663992057
Energy: 1.9553067747664126
Energy: 1.7439824542728228
Energy: 1.8650899636294629
Energy: 1.7152238895492677
Energy: 1.9916295546040073
Energy: 1.9472485168181068
Energy: 1.681145611485257
Energy: 1.7513660198758294
Energy: 1.985400145890297
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Energy: 1.9332088723019436
Energy: 1.6285708583585072
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Energy: 1.9376409748921715
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Energy: 1.7391300074574036
Energy: 1.615150363076436
Energy: 2.0210590153573027
Energy: 1.9327332511500188
Energy: 1.605926538299767
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Energy: 1.6159954681963964
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Energy: 1.6062382171449414
Energy: 1.6174695756614332
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Energy: 1.6533202918902161
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Energy: 1.6140887276394624
Energy: 1.6058662616524748
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Energy: 1.7582897096517625
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Energy: 1.623638426420651
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Energy: 1.7488961707658237
Energy: 1.77730697098502
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Energy: 1.649270479409598
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Energy: 1.695195349621749
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Energy: 1.6462973194369364
Energy: 1.8623446011929974
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Energy: 1.7619320772254994
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Energy: 1.6600621546788745
Energy: 1.585003192078291
Energy: 1.8879551779038883
Energy: 2.129340629876923
Energy: 1.8070432624460788
Energy: 1.6704492615454252
Energy: 1.6128030470980501
Energy: 1.7609321598126413
Energy: 1.7538456883050093
Energy: 1.706614883851352
Energy: 1.6473454812893262
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Energy: 1.8093762050040494
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Energy: 1.7184980728807422
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Energy: 1.8146989749714373
Energy: 1.7608586411181717
Energy: 1.8271078277876711
Energy: 1.7395031657339297
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Energy: 1.748009479435688
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Energy: 1.7611994966451763
Energy: 1.9849471671719516
Energy: 2.00270745730184
Energy: 2.021369025719622
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Energy: 1.8250350551564007
Energy: 1.8367968447007705
Energy: 2.0929930334377094
Energy: 1.9938223532459298
Energy: 1.7671631813402247
Energy: 1.765410932039526
Energy: 1.9495519706014712
Energy: 2.0178402167634837
Energy: 2.0178980424106974
Energy: 1.8664933186471335
Energy: 1.638822526983663
Energy: 1.8700608878410867
Energy: 1.980523292334834
Energy: 2.0392598339242354
Energy: 1.872325855459711
Energy: 1.639267559999622
Energy: 1.6175816384773314
Energy: 2.0332857263992894
Energy: 2.1695631307120964
Energy: 1.9343418744624277
Energy: 1.7869093118204478
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Energy: 2.08203906960879
Energy: 1.940455212747483
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Energy: 1.6294260976707204
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Energy: 2.014344896944134
Energy: 1.9919083626098457
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Energy: 1.6630310628613716
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Energy: 2.021518973227349
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Energy: 1.6205673329904495
Energy: 1.649437590470901
Energy: 1.9209893201522235
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Energy: 1.6251301414576556
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Energy: 1.611267528424818
Energy: 2.014037892459721
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Energy: 1.623822391479202
Energy: 1.6867195351113227
Energy: 1.6967093777117852
Energy: 1.6585236220147108
Energy: 1.6234515145585906
Energy: 1.6142303797447766
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Energy: 1.6477480310793953
Energy: 1.6225704161033483
Energy: 1.6152985267567366
Energy: 1.8904838975368339
Energy: 1.7538444583445107
Energy: 1.62223939064262
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Energy: 1.6251448653754608
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Energy: 1.6699911771178104
Energy: 1.6215149230461203
Energy: 2.066415030948078
Energy: 1.674153095660539
Energy: 1.6730596125202668
Energy: 1.749995914609151
Energy: 1.9423131972873502
Energy: 2.358628631274898
Energy: 1.603967245159479
Energy: 1.609850140956608
Energy: 1.7437285997371808
Energy: 1.7687045955253737
Energy: 2.0251674360428873
Energy: 1.6095255535627078
Energy: 1.716497925958554
Energy: 1.6640713478669558
Energy: 1.6675035379331284
Energy: 1.9011729536943898
Energy: 1.6922417297937498
Energy: 1.7101513349663369
Energy: 1.7310340036261898
Energy: 1.6097666814765712
Energy: 1.7983771519044143
Energy: 1.6892687129053423
Energy: 1.6228957544560498
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Energy: 2.0855275628518104
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Energy: 1.6742999169519661
Energy: 1.8075478437970114
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Energy: 1.642490598576848
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Energy: 1.8099621108023618
Energy: 1.6901592489427013
Energy: 1.758730368568582
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Energy: 1.8127185209799588
Energy: 1.6962369595667521
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Energy: 1.76988595155476
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Energy: 1.7580941970973554
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Energy: 1.667208906334616
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Energy: 1.7185144630949811
Energy: 1.6646005637178443
Energy: 1.6491692654637005
Energy: 2.132736303302475
Energy: 2.0272042699518593
Energy: 1.718605700757834
Energy: 1.6910955929470106
Energy: 1.6663894387610383
Energy: 2.112297605636142
Energy: 2.059903831048762
Energy: 1.896147280924533
Energy: 1.8085550027290143
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Energy: 2.0232366081243875
Energy: 2.05698278929112
Energy: 1.75914434630692
Energy: 1.8138513502927982
Energy: 2.025533039396713
Energy: 2.0244389746051676
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Energy: 1.5970365400001827
Energy: 1.6942727644741484
Energy: 1.7715110323112677
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Energy: 2.0611313866678023
Energy: 1.6985104849822132
Energy: 1.726878674676019
Energy: 1.7715564067870353
Energy: 2.1476008155847945
Energy: 2.03533152935895
Energy: 1.6111931360016847
Energy: 1.6295358997637712
Energy: 2.0061818323687834
Energy: 2.0680413919587872
Energy: 2.0909518958832423
Energy: 1.611755594476605
Energy: 1.642807986194162
Energy: 2.0055996126012023
Energy: 2.512396052187169
Energy: 1.6161534307292538
Energy: 1.6162918250428386
Energy: 1.6730006812510378
Energy: 1.660607647216198
Energy: 2.15664222614896
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Energy: 1.6173833028941371
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Energy: 1.6647948009551716
Energy: 2.127334239679081
Energy: 1.6181727687801568
Energy: 1.6132165384882735
Energy: 1.626502670569907
Energy: 1.683418739695794
Energy: 1.8288545740012885
Energy: 1.624328404773099
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Energy: 1.6269327599497307
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Energy: 2.5934907521434494
Energy: 1.7709719175443235
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Energy: 1.7712908013844504
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Energy: 1.8199116589885753
Energy: 1.6260378609055928
Energy: 2.0240398517057074
Energy: 1.8862555827116565
Energy: 1.641580537152667
Energy: 1.6611243476332356
Energy: 1.6267330637720903
Energy: 2.0199846437509703
Energy: 1.711286477832532
Energy: 1.6151928316264188
Energy: 1.650042945522939
Energy: 1.8639428942964713
Energy: 1.7175157267443748
Energy: 1.6640789935208986
Energy: 1.680086089624324
Energy: 1.6454204877572223
Energy: 1.902843946519302
Energy: 1.7077331315826276
Energy: 1.6931414133507212
Energy: 1.6847499242308432
Energy: 1.684159646512462
Energy: 2.0915558928016655
Energy: 1.7496985549413022
Energy: 1.6629823014311969
Energy: 1.5844857527202025
Energy: 1.7630800535062237
Energy: 2.091463427067001
Energy: 1.7257021373946002
Energy: 1.6624894932024585
Energy: 1.6977600967527133
Energy: 1.7639687403170905
Energy: 2.5574691187158933
Energy: 1.6205905777096812
Energy: 1.7021600378779143
Energy: 1.629297059645724
Energy: 1.733972827500568
Energy: 2.5665828204946903
Energy: 1.584614074647717
Energy: 1.6449370379316133
Energy: 1.6273672480099564
Energy: 1.7319357688429258
Energy: 1.7918359730747644
Energy: 1.8103352407338011
Energy: 1.8431020266740157
Energy: 1.6839376633628917
Energy: 1.7628535345421643
Energy: 1.813817439663863
Energy: 1.7245473407788126
Energy: 1.8047236692592545
Energy: 1.6958150346158176
Energy: 1.7862153550230435
Energy: 1.7400733579773227
Energy: 1.7037062066492346
Energy: 1.9741789848069928
Energy: 1.7540946102117143
Energy: 1.727815640599114
Energy: 1.7907784640302151
Energy: 1.7059968497932538
Energy: 1.972465490529756
Energy: 1.7267228630388503
Energy: 1.8019365111966317
Energy: 1.8568153009726398
Energy: 1.980922768728343
Energy: 1.9714304347610518
Energy: 1.8705523951004634
Energy: 1.6412745610868693
Energy: 1.8623887563653294
Energy: 1.9763630014900178
Energy: 1.9842989896440404
Energy: 1.873415131652387
Energy: 1.63863723998716
Energy: 1.5929686341612568
Energy: 1.823446223404479
Energy: 1.7237823713262783
Energy: 1.8844767609950932
Energy: 1.697290511975849
Energy: 1.593983023030865
Energy: 1.813626112964846
Energy: 2.0542471115452354
Energy: 1.9213874109897595
Energy: 1.657669706538395
Energy: 1.6960860809085467
Energy: 2.0276574948203785
Energy: 2.12149665761449
Energy: 2.0507675949015716
Energy: 1.6230755087245845
Energy: 1.846880561800883
Energy: 2.089693523680867
Energy: 1.9982456635611234
Energy: 1.820892343308638
Energy: 1.60868544814006
Energy: 1.6228905388567605
Energy: 2.0293641018864927
Energy: 1.617176468449947
Energy: 1.6089265994614521
Energy: 1.6178076749832597
Energy: 1.6544097955767385
Energy: 2.163652286916352
Energy: 1.6120488703981632
Energy: 1.6074625294879474
Energy: 1.6225469937090196
Energy: 1.679832843825083
Energy: 1.6999783165865796
Energy: 1.7206955075080563
Energy: 1.6133713360623103
Energy: 1.608359490554623
Energy: 1.743424701214794
Energy: 1.817995338222422
Energy: 1.6338069243708584
Energy: 1.6127960609517067
Energy: 1.6092642860080903
Energy: 1.7949909559574064
Energy: 1.6986293495473377
Energy: 1.6248227568174418
Energy: 1.7264004967277804
Energy: 1.7052791242692398
Energy: 1.7865232239489237
Energy: 1.727169621270832
Energy: 1.6131137076828779
Energy: 1.7310259661732383
Energy: 1.762829275281907
Energy: 1.620453134148796
Energy: 1.6083279780127684
Energy: 1.696061943160934
Energy: 2.345769157682747
Energy: 1.6435421121530285
Energy: 1.6680260581531186
Energy: 1.626182985669276
Energy: 1.7029154492765868
Energy: 2.3618192508570792
Energy: 1.6060307878803644
Energy: 1.6198914212949866
Energy: 1.6250591726659427
Energy: 1.6339388497391394
Energy: 2.0181419333878132
Energy: 1.648406911952287
Energy: 1.6405284580497028
Energy: 1.6226134916138133
Energy: 1.6477955271402822
Energy: 1.826140290504833
Energy: 1.6418525253542626
Energy: 1.6221554311335273
Energy: 1.5946743966985357
Energy: 2.0782343259245213
Energy: 2.08562257315917
Energy: 1.6651127240946082
Energy: 1.6347019212295297
Energy: 1.747852445105325
Energy: 2.0831628460954015
Energy: 1.8293265841061226
Energy: 1.6430307081002133
Energy: 1.8614689641198277
Energy: 1.8592141876227948
Energy: 2.156184575438104
Energy: 1.8729026061893457
Energy: 1.5800495519246909
Energy: 1.8865467188685887
Energy: 1.8556067299905152
Energy: 2.044444214987928
Energy: 1.9621654052081658
Energy: 1.6182685237660326

minimum gb energy = 1.5800495519246909 eV
minimum distance =  2.24247753198901 Angstroms
sigma value = 437


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

Energy: 2.315015839734911
Energy: 1.5073077698496125
Energy: 1.7026003719975855
Energy: 1.6462592699543566
Energy: 1.517011978324502
Energy: 2.3169514835355836
Energy: 1.6141857831807866
Energy: 1.6019693571456464
Energy: 1.9159979078228415
Energy: 1.79705664197411
Energy: 1.66970596216881
Energy: 1.707060502138604
Energy: 1.982106499791791
Energy: 1.9880828877142307
Energy: 2.227696980942395
Energy: 1.66869900415567
Energy: 1.7097107963083857
Energy: 2.028651280570037
Energy: 2.1349948726451595
Energy: 1.549513498379435
Energy: 1.7581311826220078
Energy: 1.689036633271447
Energy: 2.3436028636857396
Energy: 1.5555991891630945
Energy: 1.7497006542608333
Energy: 1.7626184902291222
Energy: 1.6868164955376364
Energy: 2.352498888372318
Energy: 1.5521843981078218
Energy: 1.7578283066719012
Energy: 1.5517326071754953
Energy: 1.5641748603379348
Energy: 2.778650124233333
Energy: 1.7474520978759482
Energy: 1.7783303119006824
Energy: 1.549879704823791
Energy: 1.5490123546531003
Energy: 2.1947775004251553
Energy: 1.779583076943252
Energy: 1.741547830553655
Energy: 1.5518450089220162
Energy: 1.619897967947836
Energy: 2.290564471793223
Energy: 1.5531635411030962
Energy: 1.549124159410183
Energy: 1.5523881502162113
Energy: 2.264219463570605
Energy: 2.2959952559959973
Energy: 1.664046268330194
Energy: 1.545064484615443
Energy: 1.9848502367367213
Energy: 1.5484901625719052
Energy: 1.5004042669927067
Energy: 1.5565954528374892
Energy: 2.311486810879895
Energy: 2.012494913405234
Energy: 1.5477216449026305
Energy: 1.8797063631569053
Energy: 1.5583346262724382
Energy: 2.3242877127041055
Energy: 1.682682566167776
Energy: 1.6560214656816916
Energy: 1.7432886368046459
Energy: 1.7667753251008864
Energy: 1.73473163460072
Energy: 1.664021373223542
Energy: 1.7700777065261273
Energy: 1.650883544824437
Energy: 1.5531848787436537
Energy: 1.6845079733841675
Energy: 1.687861576807309
Energy: 1.74850812158323
Energy: 1.5467630180575946
Energy: 2.285879507867683
Energy: 2.3101303244752147
Energy: 1.6899195171195052
Energy: 1.79454474067353
Energy: 1.547363241313913
Energy: 2.3038667559434343
Energy: 2.318664630491735
Energy: 1.5481081391475633
Energy: 2.5193313078627724
Energy: 1.839078136012643
Energy: 2.3181179762878985
Energy: 1.5492964342479105
Energy: 1.546555733873825
Energy: 2.5243895666782246
Energy: 1.985511351056942
Energy: 2.336137330425748
Energy: 1.549187776244154
Energy: 1.516302115858842
Energy: 2.1022942276661687
Energy: 1.5101831206440892
Energy: 2.603795020208523
Energy: 2.1644034049244802
Energy: 1.6533292877526693
Energy: 1.9594300918788037
Energy: 1.5139820177119279
Energy: 2.4046318051049567
Energy: 2.167578666754952
Energy: 1.5018904955459003
Energy: 1.5009363587098494
Energy: 1.510854155531801
Energy: 2.567738065147486
Energy: 1.5065797269424437
Energy: 1.501102857342536
Energy: 1.5008192739123754
Energy: 1.5057612444391995
Energy: 2.611619443401675
Energy: 1.5483977798802997
Energy: 1.5077355925103646
Energy: 1.5102080525359465
Energy: 1.509630950492258
Energy: 1.7640249400422305
Energy: 1.5054803124232916
Energy: 1.5051060861352659
Energy: 1.5073395594092014
Energy: 1.5103888338057831
Energy: 1.7443696800142092
Energy: 1.5033503575274754
Energy: 1.5021954268598912
Energy: 1.5096768397214373
Energy: 2.147933214537713
Energy: 2.1485141806474295
Energy: 1.5231677055448585
Energy: 1.5013065849225573
Energy: 1.5478365905713212
Energy: 2.150429904567907
Energy: 2.149198522144908
Energy: 1.5197598144266067
Energy: 1.7980825381562058
Energy: 1.5117684815146588
Energy: 2.2068875443327536
Energy: 1.513800214127338
Energy: 1.5039885067451846
Energy: 2.972122428282725
Energy: 1.5146146082541092
Energy: 2.6217391828500407
Energy: 1.513371334710393
Energy: 1.7858854145093515

minimum gb energy = 1.5004042669927067 eV
minimum distance =  1.67027059398948 Angstroms
sigma value = 33