Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Ni__MO_322509103239_004
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=3.56183634698391
cohesive_energy=3.9401847031687383
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: 0.017782978801686816
Energy: 0.5761663740408356
Energy: 0.5761663740408356
Energy: 0.017782978801686816
Energy: 0.5761663740408356
Energy: 0.5761663740408356
Energy: 0.017782978801686816
Energy: 0.5761663740408356
Energy: 0.5761663740408356
Energy: 0.017782978801686816
Energy: 0.5717554294308289
Energy: 0.022094547197792067
Energy: 0.5713533323524491
Energy: 0.5717554294308289
Energy: 0.022094547197792067
Energy: 0.5713533323524491
Energy: 0.5717554294323177
Energy: 0.02209454719928105
Energy: 0.5713533323524491
Energy: 0.5717554294308289
Energy: 1.1802053364152862
Energy: 0.3421346170801799
Energy: 0.3421346170801799
Energy: 1.1802047419092032
Energy: 0.3421346170801799
Energy: 0.3421346170801799
Energy: 1.1802056574911393
Energy: 0.3421346170801799
Energy: 0.3421346170801799
Energy: 1.1802090629017206
Energy: 0.5717554294323177
Energy: 0.5713533323509602
Energy: 0.022094547197792067
Energy: 0.5717554294323177
Energy: 0.5713533323524491
Energy: 0.022094547197792067
Energy: 0.5717554294308289
Energy: 0.5713533323524491
Energy: 0.022094547197792067
Energy: 0.5717554294323177
Energy: 0.017782978801686816
Energy: 0.5761663740408356
Energy: 0.5761663740408356
Energy: 0.017782978801686816
Energy: 0.5761663740408356
Energy: 0.5761663740408356
Energy: 0.017782978801686816
Energy: 0.5761663740408356
Energy: 0.5761663740408356
Energy: 0.017782978801686816
Energy: 0.5717554294308289
Energy: 0.022094547197792067
Energy: 0.5713533323524491
Energy: 0.5717554294323177
Energy: 0.022094547197792067
Energy: 0.5713533323524491
Energy: 0.5717554294308289
Energy: 0.022094547197792067
Energy: 0.5713533323524491
Energy: 0.5717554294323177
Energy: 1.1802242193664565
Energy: 0.3421346170801799
Energy: 0.3421346170801799
Energy: 1.1802074621673755
Energy: 0.3421346170801799
Energy: 0.3421346170801799
Energy: 1.1802244398956951
Energy: 0.3421346170801799
Energy: 0.3421346170816689
Energy: 1.180228244109795

minimum gb energy = 0.017782978801686816 eV
minimum distance =  2.27059625363209 Angstroms
sigma value = 3


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

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Energy: 1.5663872779488712
Energy: 1.5668721691939445
Energy: 1.266419400902044
Energy: 1.566387277945622
Energy: 1.5668721691994487
Energy: 1.4768010624329375
Energy: 1.5663872779459536
Energy: 1.566872169206743
Energy: 1.2664194009046301
Energy: 1.3557465651097225
Energy: 1.404055929229807
Energy: 1.5115097584748778
Energy: 1.3557465651133698
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Energy: 1.511509758475276
Energy: 1.3557465651140992
Energy: 1.3816768865130031
Energy: 1.5992316064720462
Energy: 1.5120965753601794
Energy: 1.5051644274811813
Energy: 1.599231606479672
Energy: 1.5120965506716075
Energy: 1.381676886507897
Energy: 1.5992316064727756
Energy: 1.5120965462162588
Energy: 1.5051644274804519
Energy: 1.5677425329405323
Energy: 1.5660837241532324
Energy: 1.2160298834931556
Energy: 1.567742532933967
Energy: 1.566083724159068
Energy: 1.2160298834822139
Energy: 1.5677425329386754
Energy: 1.5660837241619856
Energy: 1.2160298834876517
Energy: 1.5677425329383439
Energy: 1.1586838530013321
Energy: 1.6045044415029517
Energy: 1.603902712269473
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Energy: 1.5992009018232052
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Energy: 1.2927005136049656
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Energy: 1.2173486884667422
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Energy: 1.5115193022013595
Energy: 1.5115431522682015
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Energy: 1.5115193021944626
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Energy: 1.5115193021937332
Energy: 1.2163013153242912
Energy: 1.5668807859715888
Energy: 1.5672355851079254
Energy: 1.407581334153346
Energy: 1.566880785975236
Energy: 1.5672355851042783
Energy: 1.2163013153217714
Energy: 1.5668807859734457
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Energy: 1.4075813341555348
Energy: 1.5675244414468905
Energy: 1.5703991191259803
Energy: 1.571721921347497
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Energy: 1.5270704859972637
Energy: 1.5613268718496869
Energy: 1.353145438771273
Energy: 1.5664040763900662
Energy: 1.215934973006598
Energy: 1.5666864901799311
Energy: 1.5664040763995493
Energy: 1.2159349730077254
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Energy: 1.5664040763966314
Energy: 1.215934973002221
Energy: 1.5666864901824509
Energy: 1.5664040763911276
Energy: 1.5122009242239067
Energy: 1.5592061210829236
Energy: 1.4033654122774106
Energy: 1.5122009242239067
Energy: 1.5592061210701913
Energy: 1.4036132392123513
Energy: 1.5122009242213867
Energy: 1.5592061210709205
Energy: 1.4033654122839756
Energy: 1.5122009242221162
Energy: 1.4159214546883332
Energy: 1.2239468342358102
Energy: 1.568813958538818
Energy: 1.415921454683227
Energy: 1.2239468342274546
Energy: 1.5688139585398793
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Energy: 1.4646606913408706
Energy: 1.5671507017224966
Energy: 1.5674057439515379
Energy: 1.2654822889476443
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Energy: 1.5674057439544553
Energy: 1.464660691337555
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Energy: 1.2654822889505621
Energy: 1.5110259342879109
Energy: 1.4077644261916535
Energy: 1.5113267951233798
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Energy: 1.511326795121921
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Energy: 1.4077644261942397
Energy: 1.5113267951160854
Energy: 1.5110259342871815
Energy: 1.5674764462145478
Energy: 1.5666824906305852
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Energy: 1.566682490640068
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Energy: 1.5674764462148796
Energy: 1.5666824906451742
Energy: 1.2164383610226317
Energy: 1.5674764462167363
Energy: 1.571479685835913
Energy: 1.4551170892806757
Energy: 1.214935995745788
Energy: 1.5714796858333928
Energy: 1.4537415046506263
Energy: 1.2149359957504962
Energy: 1.5714796858304751
Energy: 1.4551170892773602
Energy: 1.214935995753414
Energy: 1.5714796858351834
Energy: 1.1584930712728132
Energy: 1.604075387407327
Energy: 1.6049355898260678
Energy: 1.158493071275731
Energy: 1.5991670050206244
Energy: 1.5963279459972555
Energy: 1.1584930712709565
Energy: 1.6040753873985738
Energy: 1.6049355898250068
Energy: 1.158493071267707
Energy: 1.5667918716829248
Energy: 1.2156565537945447
Energy: 1.5676293375478296
Energy: 1.5667918716873017
Energy: 1.2156565537938155
Energy: 1.567629337554726
Energy: 1.5667918716858429
Energy: 1.2156565537861228
Energy: 1.5676293375583734
Energy: 1.5667918716829248
Energy: 1.4166408988067059
Energy: 1.6090246489376907
Energy: 1.3548961090183285
Energy: 1.416640898810353
Energy: 1.6090246489384201
Energy: 1.354896109019058
Energy: 1.416640898807833
Energy: 1.6090246489449853
Energy: 1.3548961090154108
Energy: 1.416640898807833
Energy: 1.4158701846725918
Energy: 1.5128096981254044
Energy: 1.396081578490305
Energy: 1.4158701846718624
Energy: 1.5128096981224866
Energy: 1.3962142551683583
Energy: 1.4158701846725918
Energy: 1.512809698121028
Energy: 1.39608157848122
Energy: 1.4158701846700057
Energy: 1.2157753569142788
Energy: 1.5663872779488712
Energy: 1.5668721691975918
Energy: 1.4217951273392408
Energy: 1.5663872779470809
Energy: 1.5668721691972602
Energy: 1.2157753569153396
Energy: 1.5663872779470809
Energy: 1.566872169204157
Energy: 1.4217951273410974
Energy: 1.355746565108993
Energy: 1.404055929233123
Energy: 1.5115097584756072
Energy: 1.355746565111911
Energy: 1.404055929233852
Energy: 1.5115097584726893
Energy: 1.355746565104285
Energy: 1.404055929235311
Energy: 1.5115097584777955
Energy: 1.3557465651060754
Energy: 1.3653418431685638
Energy: 1.5992316064735053
Energy: 1.512096566067117
Energy: 1.5129709099776478
Energy: 1.5992316064756933
Energy: 1.5120965620412155
Energy: 1.3653418431631261
Energy: 1.5992316064756933
Energy: 1.5120965732818432
Energy: 1.512970909982754
Energy: 1.567742532940864
Energy: 1.5660837241580068
Energy: 1.2160298834895085
Energy: 1.567742532937946
Energy: 1.5660837241601955
Energy: 1.2160298834829435
Energy: 1.5677425329412615
Energy: 1.5660837241546912
Energy: 1.216029883491299
Energy: 1.5677425329386754

minimum gb energy = 1.158493071267707 eV
minimum distance =  2.34608469437892 Angstroms
sigma value = 75


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

Energy: 1.7558793795430254
Energy: 1.432505383740649
Energy: 1.432424664342808
Energy: 1.562450959047502
Energy: 1.4325053837370894
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Energy: 1.7558793796017225
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Energy: 1.5624509590439428
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Energy: 1.821580582373381
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Energy: 1.821580582368042
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Energy: 1.8215805823698217
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Energy: 1.7281859174732346
Energy: 1.7968484304598913
Energy: 1.5102681821859993
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Energy: 1.7968484304598913
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Energy: 1.5950031884139142
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Energy: 1.4329424111563884
Energy: 1.6745090410513344
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minimum gb energy = 1.432286835018072 eV
minimum distance =  2.22110977354197 Angstroms
sigma value = 105


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

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Energy: 1.6500299348138725
Energy: 1.6506198100705909
Energy: 1.6049187456481735
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Energy: 1.6049339785133516
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Energy: 1.6506198100705909
Energy: 1.6049187456441578
Energy: 1.685699199274724
Energy: 1.6845246675678678
Energy: 1.6187502425805833
Energy: 1.6079192158911082
Energy: 1.7100754689585957
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Energy: 1.6187502425765679
Energy: 1.6079192158911082
Energy: 1.710075468962611
Energy: 1.6873401224505433
Energy: 1.6036758166281024
Energy: 1.648535782000185
Energy: 1.7056981586085718
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Energy: 1.6802726937912416
Energy: 1.6873401224485356
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Energy: 1.648535782000185
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Energy: 1.5580970046233742
Energy: 1.6346980419030077
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Energy: 1.6956453681958445
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Energy: 1.6956453681958445
Energy: 1.6637368001197612
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Energy: 1.738522186715678
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Energy: 1.6637368001197612
Energy: 1.739149386764607
Energy: 1.7385221867176854
Energy: 1.6643868633799692
Energy: 1.723743520527559
Energy: 1.6630086858862247
Energy: 1.6168467535661952
Energy: 1.7237435205255511
Energy: 1.6630086858882325
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Energy: 1.6630086858842537
Energy: 1.6168467535641875
Energy: 1.7237435205235434
Energy: 1.7578668437706906
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Energy: 1.595972198904613
Energy: 1.8067077039485877
Energy: 1.70127680702614
Energy: 1.5964676632615955
Energy: 1.7997555686643263
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Energy: 1.6351211417457439
Energy: 1.6676004121720205
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Energy: 1.6676267085647094
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Energy: 1.6351211417457439
Energy: 1.667600412168005
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Energy: 1.5587653174557574
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Energy: 1.5587653174597729
Energy: 1.634827229406928
Energy: 1.696203583060079
Energy: 1.5587653174577651
Energy: 1.634827229406928
Energy: 1.5307078724966743
Energy: 1.592440041316604
Energy: 1.660207246006444
Energy: 1.5307078724966743
Energy: 1.592440041318612
Energy: 1.6602072460084518
Energy: 1.5307078724966743
Energy: 1.592440041316604
Energy: 1.660207246006444
Energy: 1.53070787250069
Energy: 1.6991831028965185
Energy: 1.707577419132331
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Energy: 1.6991831028945108
Energy: 1.7035246777321824
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Energy: 1.7075774191624473
Energy: 1.7367530653414816
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Energy: 1.6721695597997726
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Energy: 1.6060581944401835
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Energy: 1.6060581944401835
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Energy: 1.6047858973571902
Energy: 1.7940421116836902
Energy: 1.5965761178792568
Energy: 1.604785897359198
Energy: 1.7940421116816825
Energy: 1.5965761178772493
Energy: 1.604785897359198
Energy: 1.7940421116856982
Energy: 1.5965761178752413
Energy: 1.6047858973571902
Energy: 1.5443157550330062
Energy: 1.667699133168149
Energy: 1.6682824774113154
Energy: 1.5443157550330062
Energy: 1.667699133168149
Energy: 1.6682824774133231
Energy: 1.544315755035014
Energy: 1.6676991331661413
Energy: 1.6682824774093075
Energy: 1.5443157550330062
Energy: 1.558287104967482
Energy: 1.605398074453027
Energy: 1.5967808648901356
Energy: 1.558287104967482
Energy: 1.605427716552395
Energy: 1.596780864896159
Energy: 1.558287104967482
Energy: 1.6053980744510192
Energy: 1.5967808648981665
Energy: 1.5582871049694897
Energy: 1.827803964698669
Energy: 1.6048478186856876
Energy: 1.6227584441703742
Energy: 1.8278039646966613
Energy: 1.6047407221263188
Energy: 1.6227584441703742
Energy: 1.827803964698669
Energy: 1.6048478186836799
Energy: 1.6227584441703742
Energy: 1.827803964700677
Energy: 1.6161679614817632
Energy: 1.6167098416537382
Energy: 1.6611470423918469
Energy: 1.6161679614837707
Energy: 1.6167098416537382
Energy: 1.6611470423898391
Energy: 1.6161679614797553
Energy: 1.6167098416557462
Energy: 1.6611470423898391
Energy: 1.6161679614777475
Energy: 1.5773447554323319
Energy: 1.7985835745458774
Energy: 1.6545261829714892
Energy: 1.5773447554323319
Energy: 1.797412438714367
Energy: 1.654526182973497
Energy: 1.5773447554303244
Energy: 1.7985835745438699
Energy: 1.654526182973497
Energy: 1.5773447554323319
Energy: 1.7669992181893712
Energy: 1.6356257265777103
Energy: 1.6729598375303305
Energy: 1.766999218183348
Energy: 1.635404175127883
Energy: 1.6729598375263148
Energy: 1.766999218183348
Energy: 1.6356257265736949
Energy: 1.6729598375283228
Energy: 1.7669992181893712
Energy: 1.6503964588419369
Energy: 1.6047030101798239
Energy: 1.650101222478304
Energy: 1.6503964588399294
Energy: 1.6047081718746616
Energy: 1.650101222480312
Energy: 1.650396458833906
Energy: 1.6047030101818316
Energy: 1.6501012224863354
Energy: 1.6503964588359137

minimum gb energy = 1.5307078724966743 eV
minimum distance =  2.30870022703707 Angstroms
sigma value = 165


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

Energy: 1.7735947159751102
Energy: 1.7068890110399462
Energy: 1.7091345776219138
Energy: 1.6539524298401493
Energy: 1.7068890110433925
Energy: 1.709134577627428
Energy: 1.7735947159785566
Energy: 1.7068890110406352
Energy: 1.709134577627428
Energy: 1.6539524295769752
Energy: 1.8084040573638824
Energy: 1.6539917521752376
Energy: 1.815607157247256
Energy: 1.8084040573659501
Energy: 1.6539917521704128
Energy: 1.8156071572458778
Energy: 1.8084040573666393
Energy: 1.653991752171102
Energy: 1.8156071572479455
Energy: 1.808404057365261
Energy: 1.6850175738641973
Energy: 1.7367737326127475
Energy: 1.6796190394205897
Energy: 1.6850175738648863
Energy: 1.7367737326155046
Energy: 1.6795997954876627
Energy: 1.6850175738621291
Energy: 1.7367737326168835
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Energy: 1.6850175738641973
Energy: 1.754483954017436
Energy: 1.7528760760246733
Energy: 1.6548934446163175
Energy: 1.7544839540167465
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Energy: 1.7544839540153678
Energy: 1.752876076021916
Energy: 1.6548934446156285
Energy: 1.7544839540146788
Energy: 1.8474870733576918
Energy: 1.745552073342434
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Energy: 1.5842273685546215
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Energy: 1.8474870702635786
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Energy: 1.7998852205030722
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Energy: 1.7513818399631864
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Energy: 1.7073595045995764
Energy: 1.6580352248398775
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Energy: 1.7073595045975085
Energy: 1.6580352248419454
Energy: 1.8058245456472488
Energy: 1.7068443572297194
Energy: 1.75145094385009
Energy: 1.7783319487178066
Energy: 1.7068443572290302
Energy: 1.7514509438480221
Energy: 1.7781028986736915
Energy: 1.7068443572290302
Energy: 1.7514509438480221
Energy: 1.7783319487205638
Energy: 1.706844357228341
Energy: 1.7528774786589871
Energy: 1.752490249997829
Energy: 1.8721301296660002
Energy: 1.6543710642105072
Energy: 1.7524902499964505
Energy: 1.872130129668068
Energy: 1.752877478658298
Energy: 1.7524902499971398
Energy: 1.8721301296687571
Energy: 1.6543710642091287
Energy: 1.7545080204766705
Energy: 1.5841409112853402
Energy: 1.9041726006843822
Energy: 1.7488782030670171
Energy: 1.584140911286719
Energy: 1.8563160948665458
Energy: 1.7545080204711565
Energy: 1.5841409112846823
Energy: 1.90417260068645
Energy: 1.748878203066328
Energy: 1.7578337292999624
Energy: 1.6544796660716912
Energy: 1.7512712130141395
Energy: 1.7578337293027195
Energy: 1.6544796660730698
Energy: 1.7512712130141395
Energy: 1.757833729297895
Energy: 1.6544796660710022
Energy: 1.751271213012072
Energy: 1.7578337293013413
Energy: 1.7823906740378321
Energy: 1.679657387654329
Energy: 1.793209995370098
Energy: 1.7823906740364535
Energy: 1.679657387654329
Energy: 1.793209938230544
Energy: 1.7823906740378321
Energy: 1.679657387654329
Energy: 1.7932092046821997
Energy: 1.7823906740378321
Energy: 1.7091557703762483
Energy: 1.7673191350360804
Energy: 1.6532848667357158
Energy: 1.7091557703769376
Energy: 1.7673191350347022
Energy: 1.6532848667370943
Energy: 1.7091557703748697
Energy: 1.7673191350333235
Energy: 1.6532848667343372
Energy: 1.7091557703762483
Energy: 1.6539524297085624
Energy: 1.7068890110413244
Energy: 1.7091345776219138
Energy: 1.6539524295397863
Energy: 1.7068890110420136
Energy: 1.7091345776267388
Energy: 1.6539524297575003
Energy: 1.7068890110406352
Energy: 1.7091345776253601
Energy: 1.6539524295597436

minimum gb energy = 1.5841409112846823 eV
minimum distance =  2.29394523323246 Angstroms
sigma value = 41


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

Energy: 1.5556100601850498
Energy: 1.596492881420109
Energy: 1.577541344337143
Energy: 1.555617195413438
Energy: 1.5964928814147603
Energy: 1.5775413443398172
Energy: 1.5556100601823757
Energy: 1.5964928814147603
Energy: 1.5775413443344688
Energy: 1.5556171954107634
Energy: 1.6048458186648513
Energy: 1.367378363626913
Energy: 1.6213548700277411
Energy: 1.6048458186621768
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Energy: 1.6048458186648513
Energy: 1.405762893158213
Energy: 1.3627168291137934
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Energy: 1.362716829111119
Energy: 1.4690256173430893
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Energy: 1.4057628931742585
Energy: 1.4631838441612797
Energy: 1.4592225125256095
Energy: 1.4535142976166266
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Energy: 1.4537583932683662
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Energy: 1.4592225125309581
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Energy: 1.4631838441586054
Energy: 1.5003849939333533
Energy: 1.6024746394509661
Energy: 1.4530883050732823
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Energy: 1.4547439763286993
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Energy: 1.5003849939306793
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Energy: 1.5273806817244158
Energy: 1.5233059814138865
Energy: 1.4527689582906917
Energy: 1.52738068172709
Energy: 1.5233059814138865
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Energy: 1.5273806817244158
Energy: 1.523305981416561
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Energy: 1.4721920205948151
Energy: 1.362740184503778
Energy: 1.625478425995711
Energy: 1.4721920205974894
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Energy: 1.625478425990362
Energy: 1.4721920206001637
Energy: 1.3627401845064526
Energy: 1.625478425995711
Energy: 1.4721920205974894
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Energy: 1.4924491961245392
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Energy: 1.5227872657477923
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Energy: 1.5048202740841188
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Energy: 1.5227872657531407
Energy: 1.3634479677583937
Energy: 1.59050311618509
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Energy: 1.5967618075827985
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Energy: 1.3658614048695088
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Energy: 1.3658614048668345
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Energy: 1.363633541005775
Energy: 1.440432846416249
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Energy: 1.363633541005775
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Energy: 1.5692392063612592
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Energy: 1.4530547983308242
Energy: 1.6595143353150783
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Energy: 1.3665080383847337
Energy: 1.364655363538836
Energy: 1.4642494815679579
Energy: 1.4880236417888444
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Energy: 1.4642494815706322
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Energy: 1.364655363538836
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Energy: 1.364655363538836
Energy: 1.4064408914795659
Energy: 1.5737903482294227
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Energy: 1.5235852041249784
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Energy: 1.516179247271075
Energy: 1.5235852041196298
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Energy: 1.5161792472764235
Energy: 1.4723032668203406
Energy: 1.6964418872794667
Energy: 1.3673521120701957
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Energy: 1.4649059908008433
Energy: 1.4534563354714107
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Energy: 1.4649059907928201
Energy: 1.4534563354687364
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Energy: 1.4649059908008433
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Energy: 1.36262312034985
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Energy: 1.3975734510688593
Energy: 1.4762357790802851
Energy: 1.4957145203142816
Energy: 1.4956579064092221
Energy: 1.3667689809169201
Energy: 1.495714520316956
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Energy: 1.3667689809142458
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Energy: 1.495657906406548
Energy: 1.3667689809142458
Energy: 1.495714520316956
Energy: 1.5957806910178969
Energy: 1.883959010027333
Energy: 1.3697862943253916
Energy: 1.595780691025871
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Energy: 1.8839590100166357
Energy: 1.3697862943253916
Energy: 1.5957806910205226
Energy: 1.4917931679505596
Energy: 1.4452309443792768
Energy: 1.5236366303934386
Energy: 1.4367072356859807
Energy: 1.4452309456035686
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Energy: 1.4917931679291654
Energy: 1.4452309439622815
Energy: 1.523636630398787
Energy: 1.4367072356779578
Energy: 1.658736649743187
Energy: 1.3625895281134224
Energy: 1.630546767929772
Energy: 1.6587366497405616
Energy: 1.3625895281160967
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Energy: 1.630546767929772
Energy: 1.6587366497458615
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Energy: 1.4703332785506424
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Energy: 1.4703332785533167
Energy: 1.5139063144979072
Energy: 1.5496294974070826
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Energy: 1.4531011010503896
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Energy: 1.5016510844693514
Energy: 1.458010729805849
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Energy: 1.3946263892492585
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Energy: 1.394626389313393
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Energy: 1.4748004278481157
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Energy: 1.4748004278534645
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Energy: 1.522224186800242
Energy: 1.4748004278534645
Energy: 1.4357517537266355
Energy: 1.5222241867975677
Energy: 1.47480042785079
Energy: 1.6257491129987456
Energy: 1.3697590834334898
Energy: 1.5622242108961004
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Energy: 1.3697590834334898
Energy: 1.5622242193083595
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Energy: 1.3697590834334898
Energy: 1.5622242113291416
Energy: 1.6257491129987456
Energy: 1.5801581753514364
Energy: 1.5845529664529798
Energy: 1.5078163873875523
Energy: 1.5801581753487621
Energy: 1.5845529664503055
Energy: 1.528889399123042
Energy: 1.580158175340739
Energy: 1.5845529664583287
Energy: 1.507816387376855
Energy: 1.5801581753460878
Energy: 1.3661950156833733
Energy: 1.4623599124006539
Energy: 1.476607865617097
Energy: 1.3661950156833733
Energy: 1.5044387655137987
Energy: 1.4805537072901234
Energy: 1.366195015670002
Energy: 1.462359912403328
Energy: 1.4766078656090742
Energy: 1.3661950156860476
Energy: 1.3650008294390346
Energy: 1.496525232249288
Energy: 1.5112978922384623
Energy: 1.3650008294417086
Energy: 1.4962149479719644
Energy: 1.5111094494244328
Energy: 1.3650008294310603
Energy: 1.4965252322439393
Energy: 1.5112978922384623
Energy: 1.3650008294310603
Energy: 1.4060568046091446
Energy: 1.4566951764169285
Energy: 1.4620641704256874
Energy: 1.4060568046118187
Energy: 1.4562888414802795
Energy: 1.462064170428362
Energy: 1.4060568046118187
Energy: 1.456695176422277
Energy: 1.462064170431036
Energy: 1.406056804603796
Energy: 1.620482657565571
Energy: 1.4539119295943377
Energy: 1.4661628221581113
Energy: 1.6204826575709197
Energy: 1.453992629551037
Energy: 1.4661628221554859
Energy: 1.6204826575789424
Energy: 1.4539119295943377
Energy: 1.4661628221554859
Energy: 1.6204826575709197
Energy: 1.5164318849286882
Energy: 1.5235643550424685
Energy: 1.4515053297179987
Energy: 1.5164318849286882
Energy: 1.523564355053117
Energy: 1.451505329720673
Energy: 1.5164318849313625
Energy: 1.5235643550397941
Energy: 1.4515053297153244
Energy: 1.516431884934037

minimum gb energy = 1.3625895281134224 eV
minimum distance =  2.28972269226678 Angstroms
sigma value = 185


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

Energy: 1.1869970894422481
Energy: 0.7761220330495849
Energy: 0.7760993447061296
Energy: 0.7061853349543359
Energy: 0.7761220330473627
Energy: 0.7760993447080342
Energy: 1.1869970894473272
Energy: 0.7761220330486326
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Energy: 0.7061853349543359
Energy: 1.0242189391411773
Energy: 0.7769032599143157
Energy: 0.7865140532010071
Energy: 1.024218939140196
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Energy: 0.8979305095817625
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Energy: 1.0242189391421008
Energy: 0.7057427536099024
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Energy: 0.8417367401483774
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Energy: 1.0157967143264917
Energy: 1.0940844718224179
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Energy: 0.6657770142168002
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Energy: 0.9359479162938333
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Energy: 0.7057319191290865
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Energy: 0.7761220330495849
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Energy: 0.7061853349549706
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Energy: 0.7061853349543359
Energy: 0.7761220330508548
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Energy: 1.0242189391433707
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Energy: 0.8448488427466496
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Energy: 0.7653871197882164
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Energy: 0.6649236338104674
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Energy: 0.7650460853633338
Energy: 1.09408447181705
Energy: 0.7792198048906401
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Energy: 1.0940844718180025
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Energy: 1.0940844718205418
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Energy: 0.7766208888399704
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Energy: 0.7579661035468177
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Energy: 0.8867201771579846
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Energy: 1.1395042944036522
Energy: 0.9359479162941221
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Energy: 1.1395042944100016
Energy: 0.8245752845613593
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Energy: 0.9851556665701932
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Energy: 0.824575284560407
Energy: 1.0993757120406948
Energy: 0.7581920462451547
Energy: 0.7793872932635484
Energy: 1.0993757220832734
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Energy: 1.0993756834287074
Energy: 0.7581920462470595
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Energy: 1.0993756895794924
Energy: 0.7631650210311114
Energy: 1.0153341036787256
Energy: 0.779432682427465
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Energy: 1.0153341036755512
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Energy: 0.7792198048912751
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Energy: 1.0940844718224179
Energy: 0.8254343776111195
Energy: 0.7766208888402878
Energy: 0.6657770142170889
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Energy: 0.7580141447852297
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Energy: 0.7766208888396529
Energy: 0.665777014213972
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Energy: 1.1395042944058746
Energy: 0.9359479162890428
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Energy: 1.1395042944039697
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Energy: 1.1395042944023828
Energy: 0.9359479162896778
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Energy: 1.1395042944074618
Energy: 0.8245752845613593
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Energy: 0.9851556665679998
Energy: 1.0015744240814064
Energy: 0.8245752845610419
Energy: 0.98515566656673
Energy: 1.001574424085851
Energy: 0.8245752845597719
Energy: 1.0993756935668104
Energy: 0.758218280039951
Energy: 0.779387293265453
Energy: 1.0993757195733502
Energy: 0.6656852781486703
Energy: 0.7793872932651356
Energy: 1.0993757267512383
Energy: 0.758218280042202
Energy: 0.7793872932629134
Energy: 1.099373655619506
Energy: 0.7631650210292066
Energy: 1.0153341036780907
Energy: 0.779432682428735
Energy: 0.7631650210339396
Energy: 1.0153341036790142
Energy: 0.779432682427465
Energy: 0.7631650210333046
Energy: 1.015334103676821
Energy: 0.7794326824293698
Energy: 0.7631650210311114
Energy: 0.7057319191313376
Energy: 0.6650870906660769
Energy: 0.7783282559476404
Energy: 0.765098983468461
Energy: 0.7652246968502311
Energy: 0.778328255947323
Energy: 0.7057319191303564
Energy: 0.6650870906648072
Energy: 0.778328255947958
Energy: 0.7650989834690959
Energy: 1.0037715055286927
Energy: 1.0132311340598639
Energy: 0.7764788908765811
Energy: 1.0037715055296739
Energy: 1.0132311340535147
Energy: 0.7764788908800729
Energy: 1.0037715055347531
Energy: 1.0132311340560545
Energy: 0.7764788908749938
Energy: 1.0037715055356768

minimum gb energy = 0.6649236338104674 eV
minimum distance =  2.34623059697998 Angstroms
sigma value = 33


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

Energy: 1.3277251175855402
Energy: 1.4027730902649573
Energy: 1.4032634229456717
Energy: 1.3271007049986614
Energy: 1.4027730902632145
Energy: 1.4032634229456717
Energy: 1.3276852956312102
Energy: 1.4027730902649573
Energy: 1.4032634229456717
Energy: 1.327650327948267
Energy: 1.3862893047977731
Energy: 1.368275220035737
Energy: 1.381915893394278
Energy: 1.3862893047960305
Energy: 1.36827522003748
Energy: 1.3819158933925353
Energy: 1.3862893047977731
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Energy: 1.3862893047960305
Energy: 1.3196673985890073
Energy: 1.334247957171036
Energy: 1.3164750906450142
Energy: 1.3196674043252616
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Energy: 1.3164739016055373
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Energy: 1.3164727693397567
Energy: 1.3196674018325327
Energy: 1.3599169452093027
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Energy: 1.39077643103134
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Energy: 1.4067948385728573
Energy: 1.369056000513488
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Energy: 1.375646145829059
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Energy: 1.3465682673031416
Energy: 1.3756461458395155
Energy: 1.3676343476528074
Energy: 1.333177353378384
Energy: 1.3156996389928621
Energy: 1.3157007086547123
Energy: 1.3331773533748985
Energy: 1.3156847810905992
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Energy: 1.3673202353315528
Energy: 1.385105473158336
Energy: 1.3701919264153812
Energy: 1.3673202353298102
Energy: 1.3851054731618215
Energy: 1.3701919264136384
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Energy: 1.385105473158336
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Energy: 1.3673202353298102
Energy: 1.4040848698751558
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Energy: 1.404084869873413
Energy: 1.3913049950943759
Energy: 1.3738998881728097
Energy: 1.3685767429040285
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Energy: 1.368576742902286
Energy: 1.3913049950943759
Energy: 1.3738998881728097
Energy: 1.3685767429040285
Energy: 1.3913049950943759
Energy: 1.4053551149345724
Energy: 1.4237245203014393
Energy: 1.3302855061607806
Energy: 1.4053551149345724
Energy: 1.4237245202230484
Energy: 1.330285506159038
Energy: 1.4053551149328298
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Energy: 1.3302855061625232
Energy: 1.4053551149328298
Energy: 1.3863529261954002
Energy: 1.3562164572751652
Energy: 1.350852047631183
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Energy: 1.3882439679378362
Energy: 1.424390758027078
Energy: 1.394020140618415
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Energy: 1.406666080306788
Energy: 1.3995994527219533
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Energy: 1.406666080306788
Energy: 1.3995994527219533
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Energy: 1.4066660803050453
Energy: 1.4017333801973495
Energy: 1.3932156682660752
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Energy: 1.401733380195607
Energy: 1.3932156682643326
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Energy: 1.4017333801973495
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Energy: 1.401733380195607
Energy: 1.3344489401473918
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Energy: 1.3344489401473918
Energy: 1.3757055115592216
Energy: 1.3238730331320672
Energy: 1.3344489401508774

minimum gb energy = 1.3118833800401661 eV
minimum distance =  2.29800273379872 Angstroms
sigma value = 219


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

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Energy: 1.9240664199474269
Energy: 1.9239880567012033
Energy: 1.8144244621113241
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Energy: 1.8101441835895822
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Energy: 1.8146369374288005
Energy: 1.8101441697692393
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Energy: 1.810144169798047
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Energy: 1.8101441700470684
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Energy: 1.930867222365429
Energy: 1.9284409752263452
Energy: 1.8101736501352108
Energy: 1.9308672223642753
Energy: 1.928440975225192
Energy: 1.8101736501352108
Energy: 1.9308672223642753
Energy: 1.928440975225192
Energy: 1.810173650136364
Energy: 1.866108089461159
Energy: 1.865105865227988
Energy: 1.9354974314520745
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Energy: 1.8651058652291415
Energy: 1.935497431453228
Energy: 1.866108089461159
Energy: 1.8651058652291415
Energy: 1.9354974314520745
Energy: 1.8661080894623125

minimum gb energy = 1.8101441697692393 eV
minimum distance =  2.27421246534145 Angstroms
sigma value = 15


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

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Energy: 2.058225609610647
Energy: 2.0923951458916834
Energy: 2.1380326264980987
Energy: 2.0479105347616855
Energy: 2.119102930544319
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minimum gb energy = 2.0401602375734362 eV
minimum distance =  2.25422912585057 Angstroms
sigma value = 293


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

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Energy: 2.0396489758660135
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Energy: 2.0899123266908157
Energy: 2.1045229501051623
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Energy: 2.0446770153283755
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Energy: 2.0486575365852273
Energy: 2.082793577027513
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Energy: 2.0429176121753363
Energy: 2.2023058162552984
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Energy: 2.042917612174294
Energy: 2.2023058162542566
Energy: 2.064603584467512
Energy: 2.042917612175099
Energy: 2.2023058162552984
Energy: 2.064603584466707
Energy: 2.0429176121732517
Energy: 2.041694102283696
Energy: 2.1010408420740605
Energy: 2.158869724433105
Energy: 2.0416941022834116
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Energy: 2.1588697244339103
Energy: 2.041694102283696
Energy: 2.1010408420740605
Energy: 2.1588697244344317
Energy: 2.0416941022834116
Energy: 2.1948063380381764
Energy: 2.115084287093223
Energy: 2.115264356185688
Energy: 2.194806338040261
Energy: 2.115084287093223
Energy: 2.115264356186209
Energy: 2.194806338040782
Energy: 2.115084287094028
Energy: 2.1152643561854507
Energy: 2.194806338040261
Energy: 2.0417038773131817
Energy: 2.158861655781522
Energy: 2.101054233385036
Energy: 2.041703877313419
Energy: 2.1588616557807643
Energy: 2.101054233383994
Energy: 2.041703877313419
Energy: 2.1588616557820433
Energy: 2.1010542333853204
Energy: 2.041703877312898
Energy: 2.0427892726987844
Energy: 2.0641539214585376
Energy: 2.202338479858304
Energy: 2.0427892726987844
Energy: 2.0641539214593427
Energy: 2.202338479858304
Energy: 2.0427892726987844
Energy: 2.0641539214590585
Energy: 2.2023384798593457
Energy: 2.042789272696463
Energy: 2.194900958783973
Energy: 2.08278079550408
Energy: 2.048642740948676
Energy: 2.194900958783973
Energy: 2.0827807955038433
Energy: 2.0486427409481545
Energy: 2.194900958783973
Energy: 2.0827807955038433
Energy: 2.048642740949717
Energy: 2.194900958783973
Energy: 2.095298708436257
Energy: 2.267612742835342
Energy: 2.0401068953146058
Energy: 2.095298708436257
Energy: 2.267612742835626
Energy: 2.0401068953159323
Energy: 2.0952987084364936
Energy: 2.2676127428340633
Energy: 2.0401068953146058
Energy: 2.095298708436257

minimum gb energy = 2.039648975864972 eV
minimum distance =  2.226318274049 Angstroms
sigma value = 293


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

Energy: 2.104804878566483
Energy: 2.102709083649876
Energy: 2.1027027836393684
Energy: 2.104804878567425
Energy: 2.1027090836541134
Energy: 2.102702783642664
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Energy: 2.1027090836489335
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Energy: 2.107574817901084
Energy: 2.105026808830561
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Energy: 2.1013994207524402
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Energy: 2.101597727068842
Energy: 2.101399420753382
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Energy: 2.107574817897317
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Energy: 2.107574817900613
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Energy: 2.101597727068842
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Energy: 2.0335682158813984
Energy: 2.101597727068371
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Energy: 2.033568215863506
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Energy: 2.1017231741812687
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Energy: 2.1050186169735174
Energy: 2.1074981330418106
Energy: 2.104898558303524
Energy: 2.105018616977284
Energy: 2.1074981330418106
Energy: 2.1048985583058784
Energy: 2.1050186169730463
Energy: 2.107498133038044
Energy: 2.1048985583044657
Energy: 2.105018616974459
Energy: 2.104804878566483
Energy: 2.1027090836503466
Energy: 2.10270278364031
Energy: 2.104804878567425
Energy: 2.1027090836503466
Energy: 2.102702783639839
Energy: 2.1048048785702496
Energy: 2.1027090836508173
Energy: 2.1027027836421928
Energy: 2.1048048785688374
Energy: 2.1050268088315023
Energy: 2.104825363875547
Energy: 2.107574817901084
Energy: 2.1050268088296193
Energy: 2.104825363873193
Energy: 2.107574817900142
Energy: 2.1050268088310315
Energy: 2.10482536387178
Energy: 2.107574817901084
Energy: 2.1050268088277355
Energy: 2.101597727068842
Energy: 2.1013994207529114
Energy: 2.0335682158493804
Energy: 2.1015977270693127
Energy: 2.101399420754324
Energy: 2.0335682158649186
Energy: 2.101597727068371
Energy: 2.1013994207552655
Energy: 2.033568215857385
Energy: 2.101597727068842
Energy: 2.0334977607473106
Energy: 2.1016406106435697
Energy: 2.101723174180798
Energy: 2.0334977617436465
Energy: 2.1016406106435697
Energy: 2.101723174180327
Energy: 2.033497759394193
Energy: 2.101640610642157
Energy: 2.1017231741812687
Energy: 2.0334977594920884
Energy: 2.1074981330408695
Energy: 2.1048985583082325
Energy: 2.105018616977284
Energy: 2.1074981330408695
Energy: 2.104898558303053
Energy: 2.1050186169758716
Energy: 2.1074981330418106
Energy: 2.10489855830682
Energy: 2.1050186169768135
Energy: 2.10749813304271
Energy: 2.1027090836503466
Energy: 2.1027027836421928
Energy: 2.1048048785683666
Energy: 2.1027090836503466
Energy: 2.1027027836407806
Energy: 2.104804878569779
Energy: 2.102709083649876
Energy: 2.1027027836393684
Energy: 2.1048048785683666
Energy: 2.1027090836494047
Energy: 2.104825363872251
Energy: 2.107574817900613
Energy: 2.105026808830561
Energy: 2.1048253638736636
Energy: 2.107574817902967
Energy: 2.1050268088315023
Energy: 2.1048253638741343
Energy: 2.107574817900613
Energy: 2.105026808828677
Energy: 2.10482536387178

minimum gb energy = 2.033497758507011 eV
minimum distance =  2.29409779534777 Angstroms
sigma value = 15


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

Energy: 2.098747447279956
Energy: 2.048686788442745
Energy: 2.098400611206279
Energy: 2.010066429269205
Energy: 2.048686788442745
Energy: 2.0984006112084135
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Energy: 2.0486867884491478
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Energy: 2.0994634438625708
Energy: 2.001855750090372
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Energy: 2.0035207825078505
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Energy: 1.9810916921451613
Energy: 2.118448177893521
Energy: 1.9556249016742981
Energy: 2.0329983140163073
Energy: 2.089965066164552
Energy: 1.9554904723190578
Energy: 2.0329983140141725
Energy: 2.1184481778892525
Energy: 1.9556249016700293
Energy: 2.0329983140184416
Energy: 2.089965066170916
Energy: 2.01684844699715
Energy: 1.9566356887511422
Energy: 1.971298944576156
Energy: 2.01684844699715
Energy: 1.956635688749008
Energy: 1.9712989445804248
Energy: 2.0168484469928813
Energy: 1.956635688749008
Energy: 1.9712989445804248
Energy: 2.0168484469950156
Energy: 2.0005302053945475
Energy: 2.1924679276261383
Energy: 1.9948945991830944
Energy: 2.000530205390279
Energy: 2.192467927624042
Energy: 1.9948555808398305
Energy: 2.000530205388144
Energy: 2.192467927624042
Energy: 1.9948945991852292
Energy: 2.000530205388144
Energy: 1.948224757822782
Energy: 2.0152275808475046
Energy: 1.9699851560791848
Energy: 1.9482247578249168
Energy: 2.0152275808475046
Energy: 1.969985156081319
Energy: 1.948224757820648
Energy: 2.015227580838967
Energy: 1.9699851560749158
Energy: 1.9482247578142444
Energy: 2.003396582685022
Energy: 1.9528034693687988
Energy: 1.9563795036285356
Energy: 2.0044469238990805
Energy: 1.9528034693709333
Energy: 1.9563795036392075
Energy: 2.003396582687117
Energy: 1.9528034693687988
Energy: 1.9563795036392075
Energy: 2.004446923903349
Energy: 2.0032140370428726
Energy: 1.9807104303898062
Energy: 2.1179705604444266
Energy: 2.0029102185713783
Energy: 1.9807104303962093
Energy: 2.2205294354364575
Energy: 2.003214037047141
Energy: 1.9807104303940746
Energy: 2.117970560440158
Energy: 2.002910218560706
Energy: 1.945641104676615
Energy: 2.1481220207681218
Energy: 2.016686417951896
Energy: 1.9456411046787492
Energy: 2.1481220207638536
Energy: 2.0166864179561648
Energy: 1.9456411046808835
Energy: 2.1481220207638536
Energy: 2.016686417945493
Energy: 1.945641104676615
Energy: 2.059630599847482
Energy: 1.9882080731092304
Energy: 2.176922165175378
Energy: 2.0596305998410793
Energy: 1.9882080731050005
Energy: 2.1769221651775124
Energy: 2.0596305998410793
Energy: 1.9882080731007317
Energy: 2.176922165181781
Energy: 2.0596305998368494
Energy: 2.015923983926892
Energy: 1.9723348952174389
Energy: 1.9508838723973845
Energy: 2.015923983922623
Energy: 1.9723348952195734
Energy: 1.950941947383078
Energy: 2.015923983920489
Energy: 1.9723348952195734
Energy: 1.9508838723931157
Energy: 2.0159239839247576
Energy: 2.0367618385993924
Energy: 2.1097316623689286
Energy: 1.9548006522789607
Energy: 2.0367618386057957
Energy: 2.1097316623731976
Energy: 1.9548006522874983
Energy: 2.0367618385993924
Energy: 2.1097316623774662
Energy: 1.9548006522917671
Energy: 2.036761838595124
Energy: 1.9807196740178157
Energy: 2.247006976643035
Energy: 2.003207712498871
Energy: 1.9807196740156816
Energy: 2.247006976640901
Energy: 2.00320771250314
Energy: 1.9807196740199502
Energy: 2.247006976640901
Energy: 2.003207712496737
Energy: 1.9807196740114128
Energy: 2.118759520227476
Energy: 2.0682783297929324
Energy: 1.9479278137692424
Energy: 2.1187595202296103
Energy: 2.0682783297929324
Energy: 1.947927813767108
Energy: 2.1187595202317446
Energy: 2.068278329790798
Energy: 1.9479278137564748
Energy: 2.1187595202296103
Energy: 1.992412580487685
Energy: 2.0712473793975077
Energy: 2.026636470632202
Energy: 1.992412580487685
Energy: 2.071247379399642
Energy: 2.026636470632202
Energy: 1.992412580494088
Energy: 2.071247379399642
Energy: 2.026636470632202
Energy: 1.9924125804898192
Energy: 1.9767827275809975
Energy: 2.0293745269534442
Energy: 2.0144917439962544
Energy: 1.976782727578863
Energy: 2.028904971512279
Energy: 2.013827539554212
Energy: 1.9767827275852663
Energy: 2.02937452695554
Energy: 2.0144917439898515
Energy: 1.9767827275831316
Energy: 2.034966194204074
Energy: 1.944683825653315
Energy: 2.0571846062013495
Energy: 2.034966194212611
Energy: 1.9446838256490462
Energy: 2.0571846061992147
Energy: 2.034966194212611
Energy: 1.944683825655449
Energy: 2.057184606197081
Energy: 2.034966194204074
Energy: 1.9960705717490024
Energy: 2.195014989981656
Energy: 1.9956119074385659
Energy: 1.9960705717468679
Energy: 2.1950149899837896
Energy: 1.9956119074449687
Energy: 1.9960705717447336
Energy: 2.195014989977387
Energy: 1.995611907434297
Energy: 1.9960705717468679
Energy: 2.0855038958847993
Energy: 1.9546996066311384
Energy: 2.0080909604409554
Energy: 2.0855038958805303
Energy: 1.9546379500679947
Energy: 2.0080909604430897
Energy: 2.0855038958805303
Energy: 1.9546996066311384
Energy: 2.008090960436687
Energy: 2.0855038958805303
Energy: 2.0136711165345984
Energy: 1.99415546023033
Energy: 1.9765325477930018
Energy: 2.0136711165388674
Energy: 1.99415546023033
Energy: 1.9765325477930018
Energy: 2.0136711165410017
Energy: 1.9941554602324647
Energy: 1.9765325477908673
Energy: 2.0136711165367327
Energy: 2.116991053451383
Energy: 2.0271270400079793
Energy: 1.988176555643004
Energy: 2.116991053451383
Energy: 2.0271270400037102
Energy: 1.9881525875106456
Energy: 2.1169910534492486
Energy: 2.0271270400015764
Energy: 1.988176555649407
Energy: 2.116991053451383
Energy: 1.9480574200659089
Energy: 2.0127754156426367
Energy: 2.0859542604704795
Energy: 1.9480574200701777
Energy: 2.0127754156426367
Energy: 2.0859542604704795
Energy: 1.9480574200744463
Energy: 2.012775415640502
Energy: 2.0859542604662105
Energy: 1.948057420076581
Energy: 2.003024053311834
Energy: 2.218445089832011
Energy: 1.984382805231049
Energy: 2.003024053305431
Energy: 2.2184450898298764
Energy: 1.984382805231049
Energy: 2.0030240533097
Energy: 2.218445089827742
Energy: 1.9843828052353176
Energy: 2.003024053305431

minimum gb energy = 1.9440346553971628 eV
minimum distance =  2.22407406745023 Angstroms
sigma value = 437


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

Energy: 1.9765916164747497
Energy: 2.052989526095715
Energy: 2.0529485691116687
Energy: 1.814432975018903
Energy: 2.052989526098825
Energy: 2.0529485691116687
Energy: 1.9765916164747497
Energy: 2.052989526095715
Energy: 2.052948569110114
Energy: 1.814432975018903
Energy: 1.8819171690445975
Energy: 1.7673029238220972
Energy: 1.7810469279850423
Energy: 1.8819171690445975
Energy: 1.7673029238252074
Energy: 1.7810469279858199
Energy: 1.8819171690438201
Energy: 1.7673029238290954
Energy: 1.7810469279834873
Energy: 1.8819171690438201
Energy: 1.7495767581394555
Energy: 1.7467075769681892
Energy: 1.7466989932896841
Energy: 1.7495767581425659
Energy: 1.7467075769689668
Energy: 1.746698993292017
Energy: 1.7495767581371229
Energy: 1.7467075769728548
Energy: 1.7466989932881292
Energy: 1.7495767581355675
Energy: 1.7889857925467603
Energy: 1.9791295608797455
Energy: 1.7894611642318063
Energy: 1.7889857925498707
Energy: 1.9791295608789676
Energy: 1.7894611642318063
Energy: 1.788985792552981
Energy: 1.9791295608828556
Energy: 1.789461164231029
Energy: 1.7889857925506483
Energy: 2.0098299209895587
Energy: 1.788364276098293
Energy: 2.0091448084310266
Energy: 2.009829920987226
Energy: 1.7883642760967378
Energy: 2.0091448084302486
Energy: 2.0098299209880035
Energy: 1.7883642760959602
Energy: 2.0091448084372474
Energy: 2.0098299209895587
Energy: 1.7858421397853157
Energy: 1.8905829438194617
Energy: 1.767159670991434
Energy: 1.7858421397814277
Energy: 1.8905829438163868
Energy: 1.7671596709937667
Energy: 1.78584213978065
Energy: 1.8905829438217945
Energy: 1.7671596709960993
Energy: 1.7858421397798725
Energy: 1.8873896557117502
Energy: 1.8286622714725538
Energy: 1.7472525489160275
Energy: 1.887389655709453
Energy: 1.8286622714764418
Energy: 1.746866842871026
Energy: 1.8873896557063425
Energy: 1.8286622714787746
Energy: 1.7472525489160275
Energy: 1.8873896557086753
Energy: 1.7752757303653528
Energy: 2.1620588702054038
Energy: 1.8806045741390824
Energy: 1.7752757303630198
Energy: 2.162058870206182
Energy: 1.8806045741390824
Energy: 1.7752757303630198
Energy: 2.1620588702092918
Energy: 1.8806045741375275
Energy: 1.7752757303630198
Energy: 2.2855376570745523
Energy: 1.7891540590132613
Energy: 1.7886028605936246
Energy: 2.285537657073775
Energy: 1.7891540590117059
Energy: 1.7886028605944022
Energy: 2.2855376570745523
Energy: 1.7891540590155939
Energy: 1.7886028605936246
Energy: 2.285537657073775
Energy: 1.79977561666462
Energy: 1.918552615525539
Energy: 2.015586416200308
Energy: 1.792949111569784
Energy: 1.9185526155302046
Energy: 2.0155864161995303
Energy: 1.7997756166677303
Energy: 1.9185526155317598
Energy: 2.015586416201863
Energy: 1.792949111571339
Energy: 1.7479222334147526
Energy: 1.7625713357949184
Energy: 1.8414634578195928
Energy: 1.7479222334155302
Energy: 1.7625713357956958
Energy: 1.8414634578219256
Energy: 1.7479222334155302
Energy: 1.7625713357987356
Energy: 1.8414634578203704
Energy: 1.7479222334170854
Energy: 1.9185284317148135
Energy: 1.7776699931710496
Energy: 1.994102263688468
Energy: 1.9185284317163684
Energy: 1.777669993170272
Energy: 1.9941022636915784
Energy: 1.9185284317148135
Energy: 1.7776699931679392
Energy: 1.9941022636892456
Energy: 1.918528431717146
Energy: 1.7996558013814652
Energy: 2.2838890046725475
Energy: 1.7995043534011281
Energy: 1.7997468735150595
Energy: 2.2838890046702147
Energy: 1.7994609414597484
Energy: 1.7996558013822426
Energy: 2.2838890046686595
Energy: 1.7995043534011281
Energy: 1.7997468735103939
Energy: 1.9749589246337929
Energy: 1.7665287438214838
Energy: 1.8819473026761837
Energy: 1.9749589246345705
Energy: 1.7665287438214838
Energy: 1.881947302675406
Energy: 1.9749589246337929
Energy: 1.7665287438207062
Energy: 1.8819473026746285
Energy: 1.9749589246337929

minimum gb energy = 1.7466989932881292 eV
minimum distance =  2.22567076871796 Angstroms
sigma value = 33