Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004_Au__MO_468407568810_006
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Au
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.080054298043251
cohesive_energy=3.930314275214028
mass=196.9665
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=[1.068807226011498e-19, 1.72237192508268e-19, 2.2702682686116596e-19, 2.75048867112048e-19, 3.18829945812732e-19, 3.59113472921394e-19, 3.9571359594849e-19, 4.2852617341281e-19, 4.57767499159944e-19, 4.83778836812934e-19, 5.06887030405116e-19, 5.2737246084744e-19, 5.45470648105104e-19, 5.61388272963894e-19, 5.75298370500282e-19, 5.87361158377668e-19, 5.97711219433308e-19, 6.064639103848499e-19, 6.137201683602359e-19, 6.195520913079959e-19, 6.24025368470124e-19, 6.27176849909202e-19, 6.29041783511178e-19, 6.296570193386339e-19, 6.2899051385889e-19, 6.26832381932892e-19, 6.229262752991999e-19, 6.16959769514184e-19, 6.08452211587644e-19, 5.96900518056504e-19, 5.81715087919452e-19, 5.62184554750992e-19, 5.374341301089599e-19, 5.06387151295308e-19, 4.67686574701038e-19, 4.1960204956142994e-19, 3.59906550355224e-19, 2.85714556964586e-19, 1.9324813688654397e-19, 7.75266036189822e-20, -6.80838551911764e-20, -2.52636018179022e-19, -4.88748788731602e-19, -7.943880143166119e-19, -1.195294264735896e-18, -1.72852428335724e-18, -2.44934355099384e-18, -3.4441510448107797e-18, -4.8151175687582395e-18, -6.752565685189079e-18, -9.617385680911799e-18, -1.41069249358749e-17, -2.1760923260651398e-17, -3.64504797294804e-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: -5.96046447753906e-08 eV

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

Energy: 0.01346367248447235
Energy: 0.0697533214771524
Energy: 0.07065103017755837
Energy: 0.07021588356982486
Energy: 0.01577750788001442
Energy: 0.014521790433269786
Energy: 0.06938631976612572
Energy: 0.07110701539130128
Energy: 0.06985085653198683
Energy: 0.015321671277192918
Energy: 0.06918730317752816
Energy: 0.06909336051473247
Energy: 0.06974148009499193
Energy: 0.0703862169684639
Energy: 0.07028325630215264
Energy: 0.06932290430978591
Energy: 0.07094169019363397
Energy: 0.06976192924551572
Energy: 0.07026545779927205
Energy: 0.07015158220309925
Energy: 0.07097496178194818
Energy: 0.01609723480444464
Energy: 0.013922559653964134
Energy: 0.06898831162546283
Energy: 0.07003999863057876
Energy: 0.07040178980425117
Energy: 0.015460356856523557
Energy: 0.013875305391815317
Energy: 0.06900787299408921
Energy: 0.07059521582005635
Energy: 0.0700255677567565
Energy: 0.01490733538170081
Energy: 0.014633267159491557
Energy: 0.07024145458794516
Energy: 0.06928939007005173
Energy: 0.07042132820633772
Energy: 0.01471647852818626
Energy: 0.014031611912225973
Energy: 0.06970598546200112
Energy: 0.06906014755187315
Energy: 0.0697119038862459
Energy: 0.06977477091357978
Energy: 0.07070611905347983
Energy: 0.014820529222022025
Energy: 0.014963677445280378
Energy: 0.06930430074101343
Energy: 0.07021999582789956
Energy: 0.0704591907904853
Energy: 0.015493904297219642
Energy: 0.06939022480598037
Energy: 0.0708081761126637
Energy: 0.06920371662807596
Energy: 0.06966019773072911
Energy: 0.014410967114245353
Energy: 0.016673496810918523
Energy: 0.07122250072564906
Energy: 0.0686636280136582
Energy: 0.06999633306732357
Energy: 0.014863063082724892
Energy: 0.017532734811065834
Energy: 0.017543305747800237
Energy: 0.07102531373934796
Energy: 0.06978420786221569
Energy: 0.07053056979438006
Energy: 0.07106718963310878
Energy: 0.017191041317744404
Energy: 0.0712518983256446
Energy: 0.06960505501821691
Energy: 0.07013102867101267
Energy: 0.0707401146340726

minimum gb energy = 0.01346367248447235 eV
minimum distance =  2.84705104720308 Angstroms
sigma value = 3


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

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Energy: 0.5317091462724735
Energy: 0.5696424666198313
Energy: 0.532544122043007
Energy: 0.5450630382971441
Energy: 0.5450420959602109
Energy: 0.5323805872468725
Energy: 0.5605012585241649
Energy: 0.5592187096065674
Energy: 0.5409290640311742
Energy: 0.52855638923207
Energy: 0.5660896797231338
Energy: 0.5610461060333508
Energy: 0.5982092437510749
Energy: 0.43461188386482685
Energy: 0.5039687238640581
Energy: 0.5047960504242135
Energy: 0.5704942489391761
Energy: 0.5107989413944578
Energy: 0.4344954933231566
Energy: 0.5399387143194403
Energy: 0.5480070462566794
Energy: 0.5191326782834516
Energy: 0.43276321571617077
Energy: 0.4333514018128777
Energy: 0.432879444108196
Energy: 0.5989599503970315
Energy: 0.5196173715009735
Energy: 0.4592434874870352
Energy: 0.5354196285636897
Energy: 0.49598119910932714
Energy: 0.590573434831738
Energy: 0.5412017601890926
Energy: 0.4326932590604372
Energy: 0.434253507522161
Energy: 0.4331285006235096
Energy: 0.5740211736865888
Energy: 0.5417860868776444
Energy: 0.500047269840502
Energy: 0.5362577256261055
Energy: 0.5578587215298274
Energy: 0.5716157116617692
Energy: 0.5024589134404944
Energy: 0.5475793015184035
Energy: 0.5290550195989054
Energy: 0.630318990434845
Energy: 0.5425939275043823
Energy: 0.6150059446769183
Energy: 0.5471207014106781
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Energy: 0.5816081775053851
Energy: 0.5715481895866817
Energy: 0.5553377567732799
Energy: 0.47647289367528667
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Energy: 0.5823308547693585
Energy: 0.5417558939102981
Energy: 0.6000857622644202
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Energy: 0.5477618233375874
Energy: 0.6293919748016853
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Energy: 0.5388140018768214
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Energy: 0.614977747354836
Energy: 0.5412830863511566
Energy: 0.4787143126546665
Energy: 0.6195015553668014
Energy: 0.5865693891115875
Energy: 0.5765229583786706
Energy: 0.5671089542223675
Energy: 0.5328698107729891
Energy: 0.5758828360274845
Energy: 0.5872537819334586
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Energy: 0.5492774224333737
Energy: 0.5756921448033293
Energy: 0.6317598734459344
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Energy: 0.4348611278934459
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Energy: 0.6331148392322835
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Energy: 0.6302098828159406
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Energy: 0.4807142079612799
Energy: 0.6321539663923395
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Energy: 0.5912687893897398
Energy: 0.4835452379296148
Energy: 0.4831363273324717
Energy: 0.6193226712295336
Energy: 0.5563465781253042
Energy: 0.597431912866405
Energy: 0.7781948745164029
Energy: 0.5604543305060357
Energy: 0.5862791313271373
Energy: 0.5606672926451121
Energy: 0.5453872330214903
Energy: 0.5424405613781738
Energy: 0.5615113608146334
Energy: 0.5859473943555066
Energy: 0.5586487145605112
Energy: 0.5721591446378562
Energy: 0.48810719354978815
Energy: 0.5842381529154438
Energy: 0.572577960360071
Energy: 0.6079560709842583
Energy: 0.4839429143295367
Energy: 0.42858732866218807
Energy: 0.5919113517488594
Energy: 0.5736360756234182
Energy: 0.6357267563439264
Energy: 0.4838698681788299
Energy: 0.4367193608398243
Energy: 0.5981829606629767
Energy: 0.48351393758189093
Energy: 0.5002787720847512
Energy: 0.47745803999807546
Energy: 0.4897126335192767
Energy: 0.48611602629319195
Energy: 0.5155452778854429
Energy: 0.5040027734504625
Energy: 0.4762345634407838
Energy: 0.48458340006825634
Energy: 0.4842640891582213
Energy: 0.5427452118132058
Energy: 0.48777829115882027
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Energy: 0.4795155366755751
Energy: 0.5148416849179918
Energy: 0.4842301803236275
Energy: 0.5355198918917985
Energy: 0.49258679921476856
Energy: 0.6839542446240497
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Energy: 0.5579641854105312
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Energy: 0.47963678652840835
Energy: 0.6214190362451926
Energy: 0.5735103255337809
Energy: 0.5902735351597486
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Energy: 0.5431575591581101
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Energy: 0.5853259034181055
Energy: 0.5417657707205364
Energy: 0.5424678322041511
Energy: 0.5948992539589607
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Energy: 0.5440854110537082
Energy: 0.6300505553364306
Energy: 0.5581833406328125
Energy: 0.5959042567583406
Energy: 0.479139356697781
Energy: 0.5540958838032362
Energy: 0.5787860513252971
Energy: 0.6194648418496361
Energy: 0.458524771456253
Energy: 0.5192536723125917
Energy: 0.5425571138114413
Energy: 0.6707443889189425
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Energy: 0.5254329902029343
Energy: 0.4767781326945431
Energy: 0.5774475669405914
Energy: 0.587078344479845
Energy: 0.5631853872530861
Energy: 0.47948401335953705
Energy: 0.5331408728969143
Energy: 0.5750794087598167
Energy: 0.6303240652346317
Energy: 0.5115801044952041
Energy: 0.45206619636112905
Energy: 0.5838409962460741
Energy: 0.6020093151291829
Energy: 0.6302307414176497
Energy: 0.5242064933531052
Energy: 0.45453597127590695
Energy: 0.5064395844531472
Energy: 0.5604991691722052
Energy: 0.5340889897825669
Energy: 0.48963490220459605
Energy: 0.517244127485972
Energy: 0.5269198865494822
Energy: 0.514215505014989
Energy: 0.5063194854333051
Energy: 0.4901230839690127
Energy: 0.47335482228252557
Energy: 0.5201601270538193
Energy: 0.5136449587433863
Energy: 0.5081013785514615
Energy: 0.5302399384508129
Energy: 0.4831300384005132
Energy: 0.5097787481528777
Energy: 0.5197717614790363
Energy: 0.526436224306453
Energy: 0.4349123811685242
Energy: 0.4617338127945545
Energy: 0.46757564842679544
Energy: 0.5141988202389585
Energy: 0.5583527664528132
Energy: 0.5214409480879575
Energy: 0.4835217292822875
Energy: 0.6163154112273548
Energy: 0.567891787899342
Energy: 0.6119661726707059
Energy: 0.43719707150074105
Energy: 0.5207458482107294
Energy: 0.6460070618319989
Energy: 0.5720114691747139
Energy: 0.5216552004546345
Energy: 0.5555204567050751
Energy: 0.5575922975127837
Energy: 0.5430486017638793
Energy: 0.5413937166778541
Energy: 0.5502866403252219
Energy: 0.5402871405953158
Energy: 0.50269103518333
Energy: 0.5436323739344787
Energy: 0.5417767580259167
Energy: 0.5239741540623188
Energy: 0.48752739651440247
Energy: 0.6153735989005991
Energy: 0.533576844326217
Energy: 0.5688931041171448
Energy: 0.43662789822441145
Energy: 0.4350659109477348
Energy: 0.6073523647679474
Energy: 0.5318468743051458
Energy: 0.541621634807649
Energy: 0.5490726731808404
Energy: 0.5344326527938391
Energy: 0.5712699641712191
Energy: 0.5317956746746504
Energy: 0.5452145406145729
Energy: 0.5420416858678755
Energy: 0.532180600825275
Energy: 0.5598241797977727
Energy: 0.5603297226531607
Energy: 0.5440512840863369

minimum gb energy = 0.42858732866218807 eV
minimum distance =  2.53618964833823 Angstroms
sigma value = 75


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

Energy: 1.132311927191553
Energy: 0.5444942809557823
Energy: 0.5601673711901107
Energy: 0.5649081779488487
Energy: 0.6100541482021195
Energy: 0.541530436171886
Energy: 0.5475625196548767
Energy: 0.5573425256542686
Energy: 0.5610886227145908
Energy: 0.6178856803837158
Energy: 0.5865368478713058
Energy: 0.5588366583770616
Energy: 0.5627470468884842
Energy: 0.5593271974052955
Energy: 0.5576059576373964
Energy: 0.5530974354557868
Energy: 0.5439663453954164
Energy: 0.5600233475165974
Energy: 0.5921925493761585
Energy: 0.5641801939204243
Energy: 0.6122877235901786
Energy: 0.6718888549956961
Energy: 0.590854409916987
Energy: 0.586425565035976
Energy: 0.5878324894650294
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Energy: 0.6717222406472926
Energy: 0.5918370255506765
Energy: 0.5716098387502567
Energy: 0.5736707954065009
Energy: 0.5700021478040354
Energy: 0.5570568052282796
Energy: 0.5790410761893666
Energy: 0.5524926072395744
Energy: 0.5688616787145927
Energy: 0.5610363669186544
Energy: 0.5917219190028467
Energy: 0.5517878236210406
Energy: 0.5902565176588082
Energy: 0.589895213983806
Energy: 0.5529756763363319
Energy: 0.5483551397225085
Energy: 0.6335677354374719
Energy: 0.6060023699955852
Energy: 0.5589791737727479
Energy: 0.5676073659160756
Energy: 0.5797758174952142
Energy: 0.6260630089917177
Energy: 0.5950550026367286
Energy: 0.5637495366012347
Energy: 0.5404387319492953
Energy: 0.5478026524104502
Energy: 0.6434784037004404
Energy: 0.5786045298496105
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Energy: 0.5492071180479966
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Energy: 0.5981332533409458
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Energy: 0.6838623318765442
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Energy: 0.5662252711124628
Energy: 0.6088537325937605
Energy: 0.5520340926221844
Energy: 0.5476222423278929
Energy: 0.5591081649116004
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Energy: 0.5488884565977823
Energy: 0.5477942597753932
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Energy: 0.5781749658645536
Energy: 0.5899850131827196
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Energy: 0.5519117862967667
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Energy: 0.5472001048670637
Energy: 0.5457521756253605
Energy: 0.6339159912637482
Energy: 0.6269163413816521
Energy: 0.5413238873556883
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Energy: 0.5513887868541706
Energy: 0.6134834112759072
Energy: 0.5840177615691461
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Energy: 0.5572567281294764
Energy: 0.5364524062171163
Energy: 0.5403515060486347
Energy: 0.6763552306304489
Energy: 0.5448333659125971
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Energy: 0.5391145904410267
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Energy: 0.5995874032359676
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minimum gb energy = 0.5336518717009594 eV
minimum distance =  2.60450253633992 Angstroms
sigma value = 105


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

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Energy: 0.5513106033036772
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Energy: 0.6219223090680528
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Energy: 0.5831643889146415
Energy: 0.6069060657548454
Energy: 0.5989141930203058
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Energy: 0.5863348010759928
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Energy: 0.5853630252659987
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Energy: 0.5603971925458169
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Energy: 0.584104181622621
Energy: 0.6035811439342995
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Energy: 0.5814448591521034
Energy: 0.5697511477510023
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Energy: 0.5890868377517957
Energy: 0.580038022265316
Energy: 0.5806804569019437
Energy: 0.5756154497687546
Energy: 0.6009504576171737
Energy: 0.6123567755310295
Energy: 0.5814939430944563
Energy: 0.5695092421047536
Energy: 0.5793411889618068
Energy: 0.5759192211170643
Energy: 0.5817959609224062
Energy: 0.5860339272034997
Energy: 0.5673582481133923
Energy: 0.5801585669067497
Energy: 0.6020837944544205
Energy: 0.5776017661776813
Energy: 0.5860325169654814
Energy: 0.5864736168177992
Energy: 0.5783107198523461
Energy: 0.5879054390890969
Energy: 0.5737357542194971
Energy: 0.5830419471203048
Energy: 0.5840015354415281
Energy: 0.5935607514507614
Energy: 0.572825984238692
Energy: 0.590724922075414
Energy: 0.5605530324030461
Energy: 0.588421656753966
Energy: 0.5740951516575076
Energy: 0.5622671692456976
Energy: 0.5779140931690622
Energy: 0.550078591224586
Energy: 0.5869095171841088
Energy: 0.5785976211878668
Energy: 0.5586686918244015
Energy: 0.5895635206139709
Energy: 0.5552830489705918
Energy: 0.5831741160336894
Energy: 0.5823209947550492
Energy: 0.5539483399266815
Energy: 0.6103953355186209
Energy: 0.5666330912058176
Energy: 0.5807696125084605
Energy: 0.5846990533810775
Energy: 0.5816739692691476
Energy: 0.6089255216479093
Energy: 0.58697729000944
Energy: 0.6024552520633523
Energy: 0.5922681671576016
Energy: 0.6102240986009768
Energy: 0.5715597982305481
Energy: 0.5874166986185851
Energy: 0.6045980636984413
Energy: 0.5825026762921107
Energy: 0.6061950595226253
Energy: 0.5859084128129396
Energy: 0.6027976317143096
Energy: 0.554048629286922
Energy: 0.5536681027662426
Energy: 0.5975385773264064
Energy: 0.5571150941409546
Energy: 0.5858807107647495
Energy: 0.5570243518283412
Energy: 0.5538995981776998
Energy: 0.6031378384715081
Energy: 0.5774380477339719
Energy: 0.5458972883881413
Energy: 0.5460870547540053
Energy: 0.54636145009357
Energy: 0.5633285219167056
Energy: 0.5610078402879098
Energy: 0.5462889055736941
Energy: 0.5460253489730577
Energy: 0.5461744102091183
Energy: 0.5846321061267052

minimum gb energy = 0.5458972883881413 eV
minimum distance =  2.58301129801622 Angstroms
sigma value = 165


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

Energy: 0.7416290632658246
Energy: 0.5429341552974061
Energy: 0.5415616342850046
Energy: 0.5593247405274268
Energy: 0.5369363009034005
Energy: 0.7407986860798755
Energy: 0.5430501487142171
Energy: 0.5418614044045865
Energy: 0.5597240115672791
Energy: 0.5368047287002011
Energy: 0.5593434790591324
Energy: 0.5606219027012509
Energy: 0.5595639111667225
Energy: 0.5568742663265057
Energy: 0.5775573864310299
Energy: 0.5591108460796156
Energy: 0.5605507026904195
Energy: 0.5600577919292826
Energy: 0.5583124174078575
Energy: 0.5769252664131276
Energy: 0.5596685774278608
Energy: 0.5782947765076748
Energy: 0.5422254938190896
Energy: 0.5610041705045765
Energy: 0.5756795381731707
Energy: 0.5596362293107356
Energy: 0.5796873365964218
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Energy: 0.5602945600473511
Energy: 0.5806421280824421
Energy: 0.6173908963097227
Energy: 0.5604005086193782
Energy: 0.5597730464230558
Energy: 0.5620243712380965
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Energy: 0.5607156443059084
Energy: 0.5610240738983265
Energy: 0.5436142911289793
Energy: 0.576962844611893
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Energy: 0.5561709353135112
Energy: 0.5597973850802885
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Energy: 0.5421669237921918
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Energy: 0.5360265016684094
Energy: 0.5422092773850644
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Energy: 0.5565379290927014
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Energy: 0.5604549143926463
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Energy: 0.5378672874848852
Energy: 0.5424154842542649
Energy: 0.5414399415801743
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Energy: 0.5673409218951206
Energy: 0.578419616927104
Energy: 0.5605236352679659
Energy: 0.5623107311106074
Energy: 0.5633586745712009
Energy: 0.5586502346737092
Energy: 0.5771151805153373
Energy: 0.5602489096020873
Energy: 0.5600219495331304
Energy: 0.5636296496578945
Energy: 0.5582672954118247
Energy: 0.5697794493436809
Energy: 0.5604138962415725
Energy: 0.5588276110217157
Energy: 0.5624035926258306
Energy: 0.5739983636219491
Energy: 0.560131031608422
Energy: 0.5602119838081454
Energy: 0.5588710672537389
Energy: 0.5621199704755954
Energy: 0.5763063805601324
Energy: 0.5596270463194621
Energy: 0.5600907756779415
Energy: 0.5607090962530636
Energy: 0.5588286659359981
Energy: 0.5630287344926175
Energy: 0.5604406790993369
Energy: 0.5602518672020744
Energy: 0.5602638027979258
Energy: 0.5590240403961412
Energy: 0.5635592891626509
Energy: 0.5992021853590571
Energy: 0.5648956522914523
Energy: 0.556726751297956
Energy: 0.5584819081425892
Energy: 0.5443486868592753
Energy: 0.5401665238266921
Energy: 0.558717859443082
Energy: 0.5564935749984147
Energy: 0.5581348322992518
Energy: 0.5461141737314141
Energy: 0.5769583274087641
Energy: 0.5604075122832948
Energy: 0.5599306845037484
Energy: 0.5377484549980107
Energy: 0.5567028593668488
Energy: 0.5774443702204795
Energy: 0.5600317752619749
Energy: 0.5438812781256993
Energy: 0.5367380988510165
Energy: 0.5557359775591525
Energy: 0.5367668795544269
Energy: 0.5580017536797168
Energy: 0.5605808334407186
Energy: 0.5417428896877782
Energy: 0.5612397621840468
Energy: 0.5636400154449012
Energy: 0.5579258029702931
Energy: 0.5602995503286836
Energy: 0.5420394263838905
Energy: 0.5614991258255375

minimum gb energy = 0.5360265016684094 eV
minimum distance =  2.61075482474906 Angstroms
sigma value = 41


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

Energy: 0.5757248717205011
Energy: 0.48940242400602196
Energy: 0.4861201923426797
Energy: 0.47645277429371086
Energy: 0.476868845796656
Energy: 0.47553235539972577
Energy: 0.48553083520473256
Energy: 0.4866293516529429
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Energy: 0.508548560605403
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Energy: 0.504134259610767
Energy: 0.4828066536426197
Energy: 0.48693156717551356
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Energy: 0.48208600201673774
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Energy: 0.5082485381755734
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Energy: 0.4963269150940383
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Energy: 0.49079339489354007
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Energy: 0.48341185950791404
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Energy: 0.5135940184951471
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Energy: 0.4922985814544434
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Energy: 0.5012785833034534
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Energy: 0.5012764756157877
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Energy: 0.5110652921481185
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Energy: 0.510575916883594
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Energy: 0.49859603384929335
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Energy: 0.5099477439083842
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Energy: 0.4839144934163855
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Energy: 0.5040353833651299
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Energy: 0.5020196151527377
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Energy: 0.5223706149998868
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Energy: 0.49323200069662143
Energy: 0.49389491095976823
Energy: 0.5269361021477679
Energy: 0.48527566110463594
Energy: 0.48992777839506446
Energy: 0.5068560201576118
Energy: 0.4810803398786372
Energy: 0.48720570048966594
Energy: 0.48529607173205935
Energy: 0.48144098186310613
Energy: 0.4907561024146727
Energy: 0.4923269074595083
Energy: 0.510846037219499
Energy: 0.4841799386289092
Energy: 0.4939996189901527
Energy: 0.49167909807100874
Energy: 0.4824152908291261
Energy: 0.5300934453613897
Energy: 0.48390481536036706
Energy: 0.49187802740827313
Energy: 0.4898602402778208
Energy: 0.4864995024887226
Energy: 0.5071369351494802
Energy: 0.48938228915353055
Energy: 0.49313453525657214
Energy: 0.49578434021495166
Energy: 0.4797896064451039
Energy: 0.47740261836829717
Energy: 0.493008093773482
Energy: 0.49441890147818746
Energy: 0.49025943913448683
Energy: 0.4908612349183638
Energy: 0.47663194213294335
Energy: 0.48295494158353275
Energy: 0.4795380551892039
Energy: 0.5014951006952059

minimum gb energy = 0.47553235539972577 eV
minimum distance =  2.6580901162094 Angstroms
sigma value = 185


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

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Energy: 0.37698772829507315
Energy: 0.37692092448938896
Energy: 0.36192500490282137
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Energy: 0.4380919126774524
Energy: 0.2797819246524044
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Energy: 0.355212632705556
Energy: 0.28270193703238594
Energy: 0.3571782363903236
Energy: 0.3917000485296127
Energy: 0.36590580113808324
Energy: 0.23759481141717845
Energy: 0.22666723307271996
Energy: 0.37854611532271326
Energy: 0.41804918423877707
Energy: 0.3793641529055231
Energy: 0.2804600915087833
Energy: 0.2828763999446505
Energy: 0.3670973441348854
Energy: 0.4498345358609085
Energy: 0.365513715699616
Energy: 0.4000193547345892
Energy: 0.3558284106219894
Energy: 0.36478982540421656
Energy: 0.3535187927381878
Energy: 0.3616973936836895
Energy: 0.33971268873114274
Energy: 0.3547610836265666
Energy: 0.3522236009709245
Energy: 0.38502133870405203
Energy: 0.3722584972058014
Energy: 0.3681864289305781
Energy: 0.3770736688303856
Energy: 0.36101434831370155
Energy: 0.3695879020673487
Energy: 0.3701675641910771
Energy: 0.25869193884525454
Energy: 0.3198404065652085
Energy: 0.3551779101674039
Energy: 0.373699485116886
Energy: 0.36816916427277746

minimum gb energy = 0.1970550557852924 eV
minimum distance =  2.66268280493971 Angstroms
sigma value = 33


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

Energy: 0.4467369247369261
Energy: 0.443992381294098
Energy: 0.4561610130535807
Energy: 0.4623526652647127
Energy: 0.4336971581261031
Energy: 0.4323314884184579
Energy: 0.4438464270094026
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Energy: 0.4496648358581877
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Energy: 0.4415691393930598
Energy: 0.44891329815951897
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Energy: 0.4651519485311292
Energy: 0.43921056340907105

minimum gb energy = 0.43171375655148997 eV
minimum distance =  2.6140401884472 Angstroms
sigma value = 219


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

Energy: 0.8767742428431184
Energy: 0.5817517098993347
Energy: 0.5852866266292845
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Energy: 0.5821813736107585
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Energy: 0.5833287829126941
Energy: 0.5821964708052216
Energy: 0.584884289717938
Energy: 0.5901023148913338
Energy: 0.5799309871814101
Energy: 0.5841150705320992
Energy: 0.5824755919892992
Energy: 0.584009888413817
Energy: 0.58848058067374
Energy: 0.580994754988811
Energy: 0.5718726930152555
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Energy: 0.5831670278115961
Energy: 0.5834626654992715
Energy: 0.585266325675509
Energy: 0.5728778272434423
Energy: 0.5839792824712063
Energy: 0.5832570058312945
Energy: 0.5828592730212045
Energy: 0.5812755817334041

minimum gb energy = 0.5718726930152555 eV
minimum distance =  2.62397036648806 Angstroms
sigma value = 15


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

Energy: 1.0336528137335317
Energy: 0.6679503884166659
Energy: 0.6724195821717238
Energy: 0.6763917576140076
Energy: 0.6901871476064751
Energy: 0.6621871542266443
Energy: 0.6672938516064479
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Energy: 0.6738537278040704
Energy: 0.6832219826578433
Energy: 0.7033752710483373
Energy: 0.6719621072318059
Energy: 0.688849029952651
Energy: 0.6690818698385109
Energy: 0.6842645490956459
Energy: 0.6706710008642857
Energy: 0.6709780173044709
Energy: 0.6880944588993475
Energy: 0.6723553476256577
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minimum gb energy = 0.6539776212897009 eV
minimum distance =  2.58827959794391 Angstroms
sigma value = 293


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

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Energy: 0.6680903342779081
Energy: 0.680889177218582
Energy: 0.6816352767885963
Energy: 0.6686677607158253
Energy: 0.6728156476865845
Energy: 0.6686494185130837
Energy: 0.6561611731129463
Energy: 0.6669494541027575
Energy: 0.6816909217635849
Energy: 0.6556372782616651
Energy: 0.7424401878667809
Energy: 0.656076461988811
Energy: 0.6672552428944454
Energy: 0.670347526411517
Energy: 0.6556290150580836
Energy: 0.743060607420069
Energy: 0.677626862395054
Energy: 0.6709913615897296
Energy: 0.6718469233776554
Energy: 0.6658336372076492
Energy: 0.6688426327320789
Energy: 0.656081910124269
Energy: 0.672296275996236
Energy: 0.668947143873524
Energy: 0.6675310363900714
Energy: 0.6684581070845559
Energy: 0.6746637343221781
Energy: 0.6707449767420919
Energy: 0.65199778096551
Energy: 0.656246921882597
Energy: 0.6633416932124876
Energy: 0.6440089440600149
Energy: 0.669933994781835
Energy: 0.6520178231551453
Energy: 0.6565453550801187
Energy: 0.6638074088273428
Energy: 0.6624033149798888
Energy: 0.6506607681611155
Energy: 0.6512781447920137
Energy: 0.6645578115134244
Energy: 0.6554443558482894
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Energy: 0.6508980744037952
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Energy: 0.6591378952789092
Energy: 0.6633091462034583
Energy: 0.6992233453889134
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Energy: 0.6691984287652589
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Energy: 0.6539746338813748
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Energy: 0.6686768243219756
Energy: 0.6529341001887587
Energy: 0.6556563708207853
Energy: 0.6528295672472681
Energy: 0.6614100434033232
Energy: 0.6724931009452326
Energy: 0.663542009312622
Energy: 0.6516182237937128
Energy: 0.6537233619110063
Energy: 0.6619886808495724
Energy: 0.6718247473106888
Energy: 0.6617518082883189
Energy: 0.6531570474318354
Energy: 0.656429701514293
Energy: 0.6509879187334446
Energy: 0.6595200567985343
Energy: 0.6522144407395405
Energy: 0.6630896860749325
Energy: 0.6555392594181544
Energy: 0.6509651779277567
Energy: 0.6598632118565246
Energy: 0.6519549000106585
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Energy: 0.6815667962257357
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Energy: 0.6796683759015772
Energy: 0.6701959556493845
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Energy: 0.6617456544241573
Energy: 0.6678520194841396
Energy: 0.6706723955331501
Energy: 0.6718000405373518
Energy: 0.6637364266896483
Energy: 0.6687215359630617
Energy: 0.6684239980852792
Energy: 0.6683179100818101
Energy: 0.689205719057958
Energy: 0.6888907889814977
Energy: 0.6991969628935076
Energy: 0.6780107674406932
Energy: 0.6565907649780299
Energy: 0.6630246020722631
Energy: 0.687882123713405
Energy: 0.697996700870614
Energy: 0.6519486032963876
Energy: 0.6533327676271098
Energy: 0.6553729820828295
Energy: 0.6514116438217846
Energy: 0.6611179823613005
Energy: 0.651636514205075
Energy: 0.6473922156084343
Energy: 0.6644828312612867
Energy: 0.6516934594016905
Energy: 0.6598248781424253
Energy: 0.650724178787731
Energy: 0.6734869335380269
Energy: 0.6642634218108581
Energy: 0.6630545306467616
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Energy: 0.6669145768818816
Energy: 0.6995397493507711
Energy: 0.6535145151026669
Energy: 0.663925649397004
Energy: 0.6702147528368444
Energy: 0.6615813868452961
Energy: 0.6558290620978512
Energy: 0.6591842809037698
Energy: 0.6757248666876429
Energy: 0.6617240427577037
Energy: 0.6516861624285151
Energy: 0.6716229265889633
Energy: 0.6550126174976638
Energy: 0.6765409343492544
Energy: 0.6611995984556228
Energy: 0.6540889056932765
Energy: 0.6686088841395882
Energy: 0.6570780888049869
Energy: 0.6450613620517961
Energy: 0.6677926183180248
Energy: 0.6758784989854889
Energy: 0.6752192763867338
Energy: 0.6445928790798221
Energy: 0.6637690436987201
Energy: 0.6575596948594071
Energy: 0.6719160518004883
Energy: 0.6519853579472397
Energy: 0.6656925210404194
Energy: 0.6835556119585731
Energy: 0.6516656137923627
Energy: 0.6520203074182231
Energy: 0.6724935978419607
Energy: 0.6870394201504879
Energy: 0.6826255585651085
Energy: 0.6514828914970511
Energy: 0.6536831071818208
Energy: 0.6681095551431371
Energy: 0.6470471470123985
Energy: 0.6698215177054164
Energy: 0.6616398720730268
Energy: 0.652996777480988
Energy: 0.6687060211921222
Energy: 0.6543512450997996
Energy: 0.6691168560188422
Energy: 0.6635632907913167
Energy: 0.6522227328210293
Energy: 0.6611236076863922
Energy: 0.650827081080213
Energy: 0.6634391309542292
Energy: 0.668009831049586
Energy: 0.660085657417384
Energy: 0.6507538812022533
Energy: 0.6558839677852091
Energy: 0.6577686967495578
Energy: 0.6684197982379845
Energy: 0.6596410748049952
Energy: 0.6509634340332117
Energy: 0.6522447712371746
Energy: 0.6561596565433889
Energy: 0.679552314619974
Energy: 0.6970325426160774
Energy: 0.6623851042297586
Energy: 0.667526421257871
Energy: 0.6710714623421735
Energy: 0.6816864137381654
Energy: 0.6979967074440332
Energy: 0.661904154626825
Energy: 0.667831790682618
Energy: 0.6575501411417026
Energy: 0.6591101447463436
Energy: 0.7055597738339908
Energy: 0.6575823431740789
Energy: 0.6679540454899306
Energy: 0.6575010914235144
Energy: 0.655376917611062
Energy: 0.7048928414465908
Energy: 0.659389209889758
Energy: 0.6696331321367069
Energy: 0.6431933202142722
Energy: 0.6697645696033651
Energy: 0.6551383372501566
Energy: 0.6629359719886332
Energy: 0.668799437000342
Energy: 0.6573704023301196
Energy: 0.6646171520584305
Energy: 0.6544083741950547
Energy: 0.663353408468509
Energy: 0.6672154074823484

minimum gb energy = 0.6414365681768079 eV
minimum distance =  2.57502825301327 Angstroms
sigma value = 293


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

Energy: 0.6317333096523375
Energy: 0.6483852713484379
Energy: 0.6884974026604642
Energy: 0.6478516043312266
Energy: 0.6376237157545497
Energy: 0.6319607730308221
Energy: 0.6493613044188515
Energy: 0.6885880043186202
Energy: 0.6487551422326384
Energy: 0.6374545413966295
Energy: 0.6814925187472276
Energy: 0.6435995778167649
Energy: 0.6430265757284045
Energy: 0.6440190593926144
Energy: 0.6442705219713997
Energy: 0.6767675648019271
Energy: 0.6439226688600919
Energy: 0.638571612014997
Energy: 0.6449480602987747
Energy: 0.6466669735492976
Energy: 0.6451492754562699
Energy: 0.6453408296480128
Energy: 0.6442447109421762
Energy: 0.6490748143665774
Energy: 0.6774739950475279
Energy: 0.6442451298729439
Energy: 0.643621124655666
Energy: 0.6438842416148374
Energy: 0.6902503997618091
Energy: 0.6788984566723659
Energy: 0.6912037208123983
Energy: 0.6340400586468055
Energy: 0.6357151874808519
Energy: 0.646406595197891
Energy: 0.6936477361170768
Energy: 0.6903147201572142
Energy: 0.6336144710168033
Energy: 0.6367778675681596
Energy: 0.6475738349760901
Energy: 0.635769043994661
Energy: 0.6452532925877529
Energy: 0.6399041421733399
Energy: 0.6335063505540919
Energy: 0.6774840817967338
Energy: 0.6511506234823518
Energy: 0.6438631577675622
Energy: 0.6388387947694042
Energy: 0.6338528259413664
Energy: 0.6473597184362221
Energy: 0.6436993774195893
Energy: 0.6437385119514266
Energy: 0.6911735521414174
Energy: 0.6499925475881048
Energy: 0.6446767509305391
Energy: 0.6415515374012823
Energy: 0.6446076751676963
Energy: 0.6885368052490458
Energy: 0.6489463399930331
Energy: 0.6438022833848582
Energy: 0.6434296394997236
Energy: 0.6463894207832074
Energy: 0.6348019508722079
Energy: 0.6445344111136854
Energy: 0.6436734480092355
Energy: 0.6816863193115188
Energy: 0.6458028210970529
Energy: 0.6336196590297436
Energy: 0.6451014943660568
Energy: 0.6435504748619489
Energy: 0.644771762341591
Energy: 0.6460999831471991
Energy: 0.674587616843921
Energy: 0.6475905624434672
Energy: 0.6332109156179542
Energy: 0.6409964555168425
Energy: 0.6531923147507555
Energy: 0.6743921526801134
Energy: 0.6469968418288295
Energy: 0.6368244142110748
Energy: 0.6363260012988843
Energy: 0.6434890749530654
Energy: 0.6379286449618852
Energy: 0.6451954525503819
Energy: 0.6350514362804244
Energy: 0.6806880695752131
Energy: 0.6437333377342873
Energy: 0.6425040580871824
Energy: 0.6449930442782849
Energy: 0.6343043729624118
Energy: 0.6845656649031462
Energy: 0.6440151176736939
Energy: 0.6456729945285385
Energy: 0.6769892023299148
Energy: 0.6942391405171078
Energy: 0.6493022690997201
Energy: 0.6513461584326308
Energy: 0.6467547679200899
Energy: 0.6767383806218009
Energy: 0.6517592701290099
Energy: 0.6456360952651069
Energy: 0.6343809478816469
Energy: 0.64968301413698
Energy: 0.6429668789873613
Energy: 0.6447649070257961
Energy: 0.6809825588036684
Energy: 0.6348195971128724
Energy: 0.6464045007190711
Energy: 0.6333763326860168
Energy: 0.6463100824606872
Energy: 0.6791358441654661
Energy: 0.6318560378177743
Energy: 0.6479324165013977
Energy: 0.688811226566279
Energy: 0.6476738456915729
Energy: 0.6377407651281828
Energy: 0.6322827692560975
Energy: 0.6491690819514992
Energy: 0.6921915678489818
Energy: 0.6484571039886563
Energy: 0.6370884413595541
Energy: 0.6805153092708174
Energy: 0.6437862763036091
Energy: 0.6427177267945403
Energy: 0.6441396941244794
Energy: 0.6451824851721087
Energy: 0.6769613330189181
Energy: 0.6438417127274014
Energy: 0.6382322027003328
Energy: 0.6446806574703561
Energy: 0.6503157953904036
Energy: 0.6454351767677033
Energy: 0.6457668923296795
Energy: 0.6446657079824466
Energy: 0.6936767431771129
Energy: 0.677652142981261
Energy: 0.6445025973660122
Energy: 0.6441111605601589
Energy: 0.6438775510182895
Energy: 0.6888724797991931
Energy: 0.6787530397126483
Energy: 0.6914787755748036
Energy: 0.6338827777328002
Energy: 0.6356668242169748
Energy: 0.6469968647244322
Energy: 0.6877535862760437
Energy: 0.6900732186580509
Energy: 0.6334681505974455
Energy: 0.6366857315163835
Energy: 0.6479818419792567
Energy: 0.6785453423233647
Energy: 0.6456405377218637
Energy: 0.639785137772603
Energy: 0.6335615233770726
Energy: 0.6502299651397311
Energy: 0.6519965291770614
Energy: 0.6438028254507578
Energy: 0.639316082603503
Energy: 0.6336829410995611
Energy: 0.6438119747452105
Energy: 0.6439398568976138
Energy: 0.643577897352637
Energy: 0.6901325314383218
Energy: 0.6503432964653798
Energy: 0.6441791534878701
Energy: 0.6382466594221644
Energy: 0.6446142513767247
Energy: 0.6884823098897844
Energy: 0.6492273110282679
Energy: 0.6433599708442118
Energy: 0.6436308204967762
Energy: 0.6477458281620672
Energy: 0.6346154258558117
Energy: 0.6449102013077124
Energy: 0.6436941591878501
Energy: 0.6786587970502448
Energy: 0.6458343991833345
Energy: 0.6335620613288878
Energy: 0.6454915525511904
Energy: 0.6433360789656889
Energy: 0.6445896595542907
Energy: 0.6464055970791417
Energy: 0.6744419932167124
Energy: 0.6481803625550372
Energy: 0.6334078410273561
Energy: 0.6407002524062724
Energy: 0.6541487864176405
Energy: 0.6747547370966241
Energy: 0.6468476026173803
Energy: 0.6357216423478603
Energy: 0.6368599074057876
Energy: 0.6435657577403372
Energy: 0.6383749942582938
Energy: 0.6451297133532559
Energy: 0.6351695602587693
Energy: 0.6803356614690147
Energy: 0.6434251201856659
Energy: 0.6439706726237191
Energy: 0.6452366675873492
Energy: 0.6344391576518428
Energy: 0.6450991910676587
Energy: 0.6439722608771583
Energy: 0.6451549253907951
Energy: 0.6751234253821543
Energy: 0.6907659597658558
Energy: 0.6490843211146603
Energy: 0.6482132515171964
Energy: 0.6464928788460634
Energy: 0.6775795934786351
Energy: 0.6556023790188507
Energy: 0.6461276403007129
Energy: 0.6342353115648887
Energy: 0.6498241726952185
Energy: 0.6432678650435308
Energy: 0.6443250881268539
Energy: 0.6798951572397034
Energy: 0.6344072093955333
Energy: 0.6459269342140381
Energy: 0.6332944607545644
Energy: 0.6451623365460097
Energy: 0.6780975755143995

minimum gb energy = 0.6317333096523375 eV
minimum distance =  2.59742438493802 Angstroms
sigma value = 15


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

Energy: 1.1700621651658143
Energy: 0.6959560553287273
Energy: 0.7108536760694024
Energy: 0.6471644336155162
Energy: 0.6921667797214126
Energy: 0.6348280547299876
Energy: 0.6933037963163948
Energy: 0.6932279089955313
Energy: 0.6358176932782902
Energy: 0.6907901064898191
Energy: 0.635591852644201
Energy: 0.6834992231664698
Energy: 0.6711637071646687
Energy: 0.6718407569797115
Energy: 0.654023645139555
Energy: 0.6280278945719334
Energy: 0.6852165293559545
Energy: 0.6703313317084313
Energy: 0.7031973413566357
Energy: 0.6358468996962949
Energy: 0.7066920010632607
Energy: 0.6575086331645837
Energy: 0.6564611924566586
Energy: 0.6698281191482645
Energy: 0.6411365123172665
Energy: 0.7061300909994054
Energy: 0.6667733687726739
Energy: 0.6548954036325205
Energy: 0.6683362655507626
Energy: 0.7244116430322595
Energy: 0.6725680029882625
Energy: 0.639315870550991
Energy: 0.6807555369579131
Energy: 0.7103065321351463
Energy: 0.7271523463992002
Energy: 0.6740441056210056
Energy: 0.6333837605487614
Energy: 0.683919661671129
Energy: 0.7076531874810338
Energy: 0.7248325553992758
Energy: 0.7052765704144566
Energy: 0.6936390386200211
Energy: 0.631811943322381
Energy: 0.6351330795472858
Energy: 0.6759892521818054
Energy: 0.7021147277127734
Energy: 0.6939756986334998
Energy: 0.6548032990206545
Energy: 0.6354672773704025
Energy: 0.6216025705527302
Energy: 0.6223915221339268
Energy: 0.634405343287996
Energy: 0.6342793585864037
Energy: 0.7063112646941194
Energy: 0.7701049014422701
Energy: 0.6363598506260297
Energy: 0.6345505851891327
Energy: 0.6343334348549159
Energy: 0.7145109832492528
Energy: 0.7847517323343322
Energy: 0.6401892108214648
Energy: 0.6337872509118614
Energy: 0.6362898238672008
Energy: 0.6364444093227256
Energy: 0.6757706748545868
Energy: 0.6384250489076604
Energy: 0.6338415633556251
Energy: 0.636078486179396
Energy: 0.6567756911342654
Energy: 0.6950599533714625
Energy: 0.6380031856366563
Energy: 0.6362851528363069
Energy: 0.6464971289960839
Energy: 0.6338286890788745
Energy: 0.6856526604046718
Energy: 0.6366792177139055
Energy: 0.6349729194465432
Energy: 0.6542407121635968
Energy: 0.6344425814901974
Energy: 0.6917726469563024
Energy: 0.6375979823871613
Energy: 0.7700388305462591
Energy: 0.6876267345743464
Energy: 0.6776582773224822
Energy: 0.6408865240926397
Energy: 0.6376008862454822
Energy: 0.7677356293994047
Energy: 0.6861842968365108
Energy: 0.6690358806796944
Energy: 0.6408219629355403
Energy: 0.6898710435009101
Energy: 0.662030177797271
Energy: 0.6272861035688972
Energy: 0.6495298544044003
Energy: 0.6539443027514095
Energy: 0.6692317969446777
Energy: 0.6624143712693545
Energy: 0.6281206195139127
Energy: 0.65095547196229
Energy: 0.6543404883987057
Energy: 0.6845517804819342
Energy: 0.6457263002440068
Energy: 0.6448286015114776
Energy: 0.6501549317347689
Energy: 0.6362665972378413
Energy: 0.6716300723459618
Energy: 0.6407195126682192
Energy: 0.6454614413793704
Energy: 0.6515081710129111
Energy: 0.6366579590102541
Energy: 0.7575763263793291
Energy: 0.6843339434139687
Energy: 0.6455666306390333
Energy: 0.6246628463566369
Energy: 0.7174866917867567
Energy: 0.7570591491092142
Energy: 0.6696605979528887
Energy: 0.6330871233197741
Energy: 0.6245408503796249
Energy: 0.7170736842750596
Energy: 0.6977790130819224
Energy: 0.6524028223189742
Energy: 0.6539474239265691
Energy: 0.6402479957678104
Energy: 0.6842301476757935
Energy: 0.7004758645391389
Energy: 0.6299649209539726
Energy: 0.6504028177890618
Energy: 0.6425626644093294
Energy: 0.6838128740993861
Energy: 0.6717154164698502
Energy: 0.6818183982186762
Energy: 0.7044488793557679
Energy: 0.67983229184998
Energy: 0.6593011673264482
Energy: 0.6715057479982182
Energy: 0.6848905024655816
Energy: 0.6174469678550341
Energy: 0.6788961003723107
Energy: 0.6506040397822059
Energy: 0.6355121245585225
Energy: 0.6603913170506357
Energy: 0.7349663257834272
Energy: 0.7084234993032441
Energy: 0.6576436616655753
Energy: 0.6462635429063313
Energy: 0.6629087075387922
Energy: 0.7374076310641009
Energy: 0.7058284947954759
Energy: 0.6688935089460055
Energy: 0.7271066928800549
Energy: 0.735109583311087
Energy: 0.6252734635738476
Energy: 0.6581327422619735
Energy: 0.6406876005487414
Energy: 0.7282201218709036
Energy: 0.7361980889215175
Energy: 0.6255240153676173
Energy: 0.6579838391863049
Energy: 0.6243167277280615
Energy: 0.6260343811541124
Energy: 0.6422073556986505
Energy: 0.6214071313612893
Energy: 0.7262846239871414
Energy: 0.6924333256685937
Energy: 0.6249842225240679
Energy: 0.6429068129884913
Energy: 0.7146770290015213
Energy: 0.7247804756677174
Energy: 0.6957009354356027
Energy: 0.6426606211916546
Energy: 0.7574635716576616
Energy: 0.7573398453837542
Energy: 0.6722116062446495
Energy: 0.6396051053344681
Energy: 0.7393809255338777
Energy: 0.7574231375509533
Energy: 0.7568160108979954
Energy: 0.6477707859240219
Energy: 0.6383783302104594
Energy: 0.6378844928731435
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Energy: 0.6530688324399483
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Energy: 0.7576496792493608
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Energy: 0.6579307109796934
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Energy: 0.717100800054777
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Energy: 0.6690081327543095
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Energy: 0.7051791169964207
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Energy: 0.7219881397652828
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Energy: 0.6500218088935371
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Energy: 0.6238156845642915
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Energy: 0.7546006069987916
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Energy: 0.6368669393921446
Energy: 0.7290380556387938
Energy: 0.7647145430134842
Energy: 0.7517144407772511
Energy: 0.6828751376968175
Energy: 0.6350667949497665
Energy: 0.63517947778512
Energy: 0.6370362175721501
Energy: 0.6393280444314676
Energy: 0.6398510518004913
Energy: 0.6408066112089309
Energy: 0.6353953369409596
Energy: 0.642235365003885
Energy: 0.639059525354794
Energy: 0.639509771674836
Energy: 0.6417606871552166
Energy: 0.6401586882299073
Energy: 0.6906135362630452
Energy: 0.6670347544297013
Energy: 0.6342126980419955
Energy: 0.6352388778057715
Energy: 0.6954673147644382
Energy: 0.6909874543730681
Energy: 0.6695737782172847
Energy: 0.6336853468310722
Energy: 0.6357025516572705
Energy: 0.6916100585801326
Energy: 0.6330633330581588
Energy: 0.6413704972711608
Energy: 0.6833627211365363
Energy: 0.6805131248513795
Energy: 0.676828686736686
Energy: 0.6323055312076401
Energy: 0.6335395404242652
Energy: 0.6656340023718383
Energy: 0.6879596607609519
Energy: 0.6353021257419867
Energy: 0.6342754699482289
Energy: 0.6847734217853038
Energy: 0.7670731501669463
Energy: 0.6369638794887234
Energy: 0.6285159899722069
Energy: 0.6285763391685018
Energy: 0.6658620523288601
Energy: 0.7694468986851697
Energy: 0.6372092263634664
Energy: 0.6422628544168831
Energy: 0.6377468229427122
Energy: 0.639351223410198
Energy: 0.6361213550521915
Energy: 0.637857711008824
Energy: 0.6419073006995054
Energy: 0.6388741922601846
Energy: 0.6435297156777763
Energy: 0.6357317259000713
Energy: 0.6387395512695965
Energy: 0.6358304971728321
Energy: 0.6304004512778224
Energy: 0.7516760862247587
Energy: 0.7446450252104416
Energy: 0.7127327732725892
Energy: 0.6293933626460901
Energy: 0.6671387667183925
Energy: 0.7521398120957337
Energy: 0.7036002958027744
Energy: 0.7031586988925095
Energy: 0.6534379541953935
Energy: 0.7198880433432548
Energy: 0.6560563841149727
Energy: 0.6729327074608448
Energy: 0.6211360650011979
Energy: 0.6437550201380141
Energy: 0.6864929918118643
Energy: 0.6925872852679402
Energy: 0.6355086450326177
Energy: 0.6224965080422443

minimum gb energy = 0.6174469678550341 eV
minimum distance =  2.56078242436462 Angstroms
sigma value = 437


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

Energy: 0.8869464467257727
Energy: 0.6632557085506933
Energy: 0.6538007401923216
Energy: 0.6546696293512067
Energy: 0.6947683566259779
Energy: 0.8853098194404896
Energy: 0.6119338311856946
Energy: 0.6545529657689676
Energy: 0.6049335968920214
Energy: 0.5867456746126856
Energy: 0.5850480371452358
Energy: 0.6606018452949745
Energy: 0.5985098100826803
Energy: 0.7043996424949
Energy: 0.6027336275056997
Energy: 0.5844199198661237
Energy: 0.6207568571629076
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Energy: 0.6596782793308414
Energy: 0.6027314438068043
Energy: 0.6470828846264416
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Energy: 0.6589886872653373
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Energy: 0.6481032820934911
Energy: 0.655357678424727
Energy: 0.6594231690377446
Energy: 0.6032893666011604
Energy: 0.6536668987322545
Energy: 0.603847789225882
Energy: 0.6046787737245812
Energy: 0.6580817923159268
Energy: 0.6511962771379284
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Energy: 0.6041821185485191
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Energy: 0.657810430637082
Energy: 0.6464220855720973
Energy: 0.587704534762936
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Energy: 0.6008727238114052
Energy: 0.5845853298241286
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Energy: 0.613142505066007
Energy: 0.6547013397183687
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Energy: 0.6442775642183737
Energy: 0.6022344420937025
Energy: 0.5999222068452095
Energy: 0.6525897629803554
Energy: 0.6455212178270274
Energy: 0.6441218853895431
Energy: 0.6025805354062741
Energy: 0.5999914022977261
Energy: 0.6585641631172137
Energy: 0.586032472046762
Energy: 0.6021033916794907
Energy: 0.6047356742211338
Energy: 0.659674439732917
Energy: 0.6540458105986934
Energy: 0.5872239148737557
Energy: 0.6021106202667198
Energy: 0.6056675243752453
Energy: 0.6599390766070266
Energy: 0.6014984333424909
Energy: 0.6578912948235924
Energy: 0.6133269607333511
Energy: 0.6017212370751743
Energy: 0.6033633427497852
Energy: 0.6009162433400691
Energy: 0.6577603131549924
Energy: 0.6124731986740772
Energy: 0.6050046261643861
Energy: 0.6025530918567219
Energy: 0.5872986861439474
Energy: 0.6084659058117878
Energy: 0.5867657294366927
Energy: 0.5881422144324925
Energy: 0.6205374290281717
Energy: 0.6015572475329456
Energy: 0.6070465169890874
Energy: 0.5881662218647457
Energy: 0.5858279129348424
Energy: 0.6179109777652096
Energy: 0.5849450950415478
Energy: 0.5844829627671467
Energy: 0.6122769405735845
Energy: 0.6133573013592979
Energy: 0.5855427808020118
Energy: 0.5845492063777469
Energy: 0.5841510428437141
Energy: 0.613811318299087
Energy: 0.6132733933517508
Energy: 0.6054683367323881
Energy: 0.5874562043091419
Energy: 0.5871312647770304
Energy: 0.5873819977285795
Energy: 0.6691679464650813
Energy: 0.5863844033002109
Energy: 0.5841102073261586
Energy: 0.5884476886686889
Energy: 0.5884851248213303
Energy: 0.6388411074740564
Energy: 0.5855078781851836
Energy: 0.5852729007483103
Energy: 0.5871231456834816
Energy: 0.6062834367065943
Energy: 0.6592046401750268
Energy: 0.586011520029134
Energy: 0.5858956553493253
Energy: 0.5889015988508041
Energy: 0.6060618308509079
Energy: 0.6583301005637476
Energy: 0.5851375522612247
Energy: 0.5877762624740255
Energy: 0.6132386762697799
Energy: 0.678695813422165
Energy: 0.5872047372829099
Energy: 0.5895678711386992
Energy: 0.7118265890648267
Energy: 0.6131442571828394
Energy: 0.7127491021784613
Energy: 0.5863720255978573
Energy: 0.6136548573991334

minimum gb energy = 0.5839936003664714 eV
minimum distance =  2.64698988989094 Angstroms
sigma value = 33