Model name: model_name=EAM_Dynamo_SongMendelev_2021_AlSm__MO_722733117926_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.044527357816695
cohesive_energy=3.312098846316254
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.77775771743116e-19, 3.2567604656981396e-19, 3.5641700964637196e-19, 3.7959249465718196e-19, 3.9813288266582995e-19, 4.13199751731966e-19, 4.26271910888772e-19, 4.38153652806516e-19, 4.49003592971964e-19, 4.589434968093e-19, 4.68063086210028e-19, 4.763703720573179e-19, 4.83863752174536e-19, 4.90713057284886e-19, 4.97200270475952e-19, 5.035128464139119e-19, 5.09645978568864e-19, 5.15413814451264e-19, 5.20489510027776e-19, 5.24567049561306e-19, 5.275150545678659e-19, 5.29373579463306e-19, 5.3032847673717e-19, 5.30615266354656e-19, 5.3028682014468595e-19, 5.290483376066039e-19, 5.2616281748877e-19, 5.20244377002774e-19, 5.0925184311689995e-19, 4.906505723961599e-19, 4.61470129361118e-19, 4.18238597245896e-19, 3.5692810399261796e-19, 2.7297885490091996e-19, 1.6145935029134997e-19, 1.75970264065488e-20, -1.6201530558334799e-19, -3.7687680526255195e-19, -6.1755097269213e-19, -8.55725744572668e-19, -1.024910790593166e-18, -9.81241864256862e-19, -4.21680072655728e-19, 1.2872832361770058e-18, 5.47316355587472e-18, 1.496674904827734e-17, 3.60159694263396e-17, 8.30835930563478e-17, 1.9182059750565e-16, 4.575271726648439e-16, 1.1634349823688059e-15, 3.2800240704238195e-15, 1.0877946213010319e-14, 4.6983349139059796e-14]
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: 0.011546115011258903
Energy: 0.06560713046901609
Energy: 0.2638114381122425
Energy: 0.0652016016525719
Energy: 0.012104907146676681
Energy: 0.01241495906916996
Energy: 0.06533656404785522
Energy: 0.26335176442433833
Energy: 0.06515888645472229
Energy: 0.012045034313153666
Energy: 0.06576417664105072
Energy: 0.06511702499719062
Energy: 0.06594138116818989
Energy: 0.2633503483706093
Energy: 0.06532565206566635
Energy: 0.0653969126067969
Energy: 0.06534037363854255
Energy: 0.06578783315984285
Energy: 0.26347704573036435
Energy: 0.06546738401935141
Energy: 0.06520852393203656
Energy: 0.011926186749847623
Energy: 0.011841342122463938
Energy: 0.065192884368418
Energy: 0.2632441662621951
Energy: 0.06508336688492834
Energy: 0.012085875740831028
Energy: 0.011823932037478233
Energy: 0.06514899501836809
Energy: 0.2632757438516242
Energy: 0.2634056568707366
Energy: 0.011891728351786248
Energy: 0.012012496785456024
Energy: 0.06510358106769415
Energy: 0.06522933125316034
Energy: 0.2634086562315594
Energy: 0.011923345677138283
Energy: 0.011890102541949372
Energy: 0.06515694508442606
Energy: 0.2632045929562746
Energy: 0.2633259370329452
Energy: 0.06517073627772894
Energy: 0.06520338294562025
Energy: 0.011927754804340444
Energy: 0.012947592569582105
Energy: 0.26395219673458215
Energy: 0.0653721426587969
Energy: 0.06524291870643488
Energy: 0.011966087913882702
Energy: 0.06545101042997843
Energy: 0.06515171120655305
Energy: 0.2642516986834495
Energy: 0.06519025126037241
Energy: 0.011826367195341346
Energy: 0.012013852764921234
Energy: 0.06528121293879667
Energy: 0.2644341379483852
Energy: 0.06521309021731311
Energy: 0.011861280229080772
Energy: 0.012102537306970949
Energy: 0.012122646884685305
Energy: 0.06534115052948618
Energy: 0.2640811028017911
Energy: 0.06613185599865691
Energy: 0.06521427460563531
Energy: 0.012155306526649012
Energy: 0.06525545658499102
Energy: 0.2642159284962054
Energy: 0.06601081268118329
Energy: 0.06521224221377327

minimum gb energy = 0.011546115011258903 eV
minimum distance =  2.82720721243513 Angstroms
sigma value = 3


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

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Energy: 0.5193286925670842
Energy: 0.5185042096468423
Energy: 0.5193664770353583
Energy: 0.5144030259824416
Energy: 0.5353076729974818
Energy: 0.5187525435103832
Energy: 0.5178697138785228
Energy: 0.5213210972913486
Energy: 0.5128676286479041
Energy: 0.5190879578766838
Energy: 0.5915650790833059
Energy: 0.5147772763241564
Energy: 0.5273764423764591
Energy: 0.4164850227513887
Energy: 0.5448166011509468
Energy: 0.5445928524519789
Energy: 0.5238371407951607
Energy: 0.4881296273352257
Energy: 0.5007380796283619
Energy: 0.5227575786273894
Energy: 0.6284366119669422
Energy: 0.5453012887784866
Energy: 0.48928192316920516
Energy: 0.48994352629962595
Energy: 0.4369732321348576
Energy: 0.6289344022822895
Energy: 0.5500863131860334
Energy: 0.497544064020061
Energy: 0.49855207213086355
Energy: 0.5169209034377402
Energy: 0.5140067334925387
Energy: 0.6249567399943572
Energy: 0.43529240706164046
Energy: 0.49297496989490247
Energy: 0.5188846214805075
Energy: 0.5794834629320783
Energy: 0.6242318401045583
Energy: 0.4872155423836696
Energy: 0.4993210449731813
Energy: 0.5924846286615129
Energy: 0.5676521808734843
Energy: 0.5569642610947965
Energy: 0.6142171438256776
Energy: 0.4595304850041019
Energy: 0.598443526129635
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Energy: 0.59515179052038
Energy: 0.6138692801809563
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Energy: 0.5323988289185598
Energy: 0.5852583502734771
Energy: 0.5577518003229294
Energy: 0.4966457181351382
Energy: 0.600008847314971
Energy: 0.5343960471168044
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Energy: 0.5192727527768063
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Energy: 0.4593857034954584
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Energy: 0.5196186640469119
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Energy: 0.5975502303301737
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Energy: 0.5192276971003091
Energy: 0.5146240930775352
Energy: 0.5183323226136088
Energy: 0.6233182519270835
Energy: 0.5277765938180794
Energy: 0.5192030058202342
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Energy: 0.5189656832785423
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Energy: 0.5504001211964085
Energy: 0.5982790655564156
Energy: 0.44831937351600154
Energy: 0.5700862243740714
Energy: 0.5203383566451495
Energy: 0.5497489943663498
Energy: 0.5969174756984991
Energy: 0.5727095038975903
Energy: 0.5394787091214784
Energy: 0.5198424159493169
Energy: 0.5200027431638721
Energy: 0.5194937750552044
Energy: 0.573716582476642
Energy: 0.5361013916109371
Energy: 0.5180375925501391
Energy: 0.5227944675985704
Energy: 0.6045440353364143
Energy: 0.5133526820871287
Energy: 0.6363104464829975
Energy: 0.5249501594064017
Energy: 0.5333146864135331
Energy: 0.4599734472446507
Energy: 0.6151387966274072
Energy: 0.5777133941339961
Energy: 0.5248264435527208
Energy: 0.533125290497446
Energy: 0.4601752058634784
Energy: 0.47506349755689375
Energy: 0.625436663161931
Energy: 0.544966520773034
Energy: 0.49353703182265213
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Energy: 0.4749012219121872
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Energy: 0.49613881876054133
Energy: 0.5172800740974577
Energy: 0.46474513785695776
Energy: 0.6252438168194115
Energy: 0.47529902646530214
Energy: 0.45582684394917444
Energy: 0.5158892035725628
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Energy: 0.47669325472671076
Energy: 0.45571725958809467
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Energy: 0.5840948265134349
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Energy: 0.49516575948293223
Energy: 0.5981570980768973
Energy: 0.5922965067116308
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Energy: 0.5179786805983683
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Energy: 0.5198363050754782
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Energy: 0.5944369745491558
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Energy: 0.5926587332501786
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Energy: 0.516544008722583
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Energy: 0.5051730596940402
Energy: 0.5208989980454685
Energy: 0.5148220393271851
Energy: 0.5311411875034154
Energy: 0.6231396319074399
Energy: 0.5288281355436634
Energy: 0.518971348424565
Energy: 0.5188015936103122
Energy: 0.4762841807252543
Energy: 0.4436055973114347
Energy: 0.6251808884756119
Energy: 0.5347968157643053
Energy: 0.5194854146779646
Energy: 0.47771079050235093
Energy: 0.4450161485767215
Energy: 0.6054135954569847
Energy: 0.5247337944167924
Energy: 0.483389920588653
Energy: 0.5006550929257337
Energy: 0.4612089818952919
Energy: 0.5346709803930952
Energy: 0.6218968714034588
Energy: 0.48489670311085226
Energy: 0.4973859533105609
Energy: 0.4589027379012012
Energy: 0.5956997502477883
Energy: 0.6219751286894468
Energy: 0.5891251400427759
Energy: 0.47561706563913897
Energy: 0.5188491258175324
Energy: 0.4853576927743507
Energy: 0.6217639226023342
Energy: 0.5793425426088535
Energy: 0.47762780980850433
Energy: 0.5145991243118448
Energy: 0.47040872885297624
Energy: 0.6219843173192706
Energy: 0.6208928720160306
Energy: 0.5219849602780259
Energy: 0.4991410556962204
Energy: 0.5398531580444054
Energy: 0.5966077194785246
Energy: 0.6174088655710677
Energy: 0.4222598590210131
Energy: 0.5010579043604549
Energy: 0.5858156922282137
Energy: 0.5999164441887895
Energy: 0.5514670956636679
Energy: 0.5158607176718298
Energy: 0.5895251455169541
Energy: 0.5851367704336826
Energy: 0.583906749323187
Energy: 0.46980191169160324
Energy: 0.5923427163447729
Energy: 0.5557542156148653
Energy: 0.5854771278230675
Energy: 0.5742308328057975
Energy: 0.5902270918642205
Energy: 0.5802810751189549
Energy: 0.5183345932229739
Energy: 0.5528444858333575
Energy: 0.5453640756228383
Energy: 0.42427244186870566
Energy: 0.5687650824834258
Energy: 0.5166670208472387
Energy: 0.6079978175407805
Energy: 0.6140418542848535
Energy: 0.5851898079652318
Energy: 0.5199472386935247
Energy: 0.5183570568085806
Energy: 0.5145940740748453
Energy: 0.619384720228594
Energy: 0.5389376651707475
Energy: 0.4853036661210781
Energy: 0.5139976124991454
Energy: 0.5202989172271781
Energy: 0.6274415928495103

minimum gb energy = 0.4164850227513887 eV
minimum distance =  2.51141474792267 Angstroms
sigma value = 75


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

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Energy: 0.4889297988932291
Energy: 0.48255166856531834
Energy: 0.5253219167545845
Energy: 0.5208162250274867
Energy: 0.5217890333533761
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Energy: 0.48969350719493815
Energy: 0.5011251745557903
Energy: 0.47825515911919486
Energy: 0.4998866005275445
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Energy: 0.5254978782381996
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Energy: 0.5272927866333269
Energy: 0.5250414673483047
Energy: 0.5273849637385926
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Energy: 0.4881776026136873
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Energy: 0.4707543832476584
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Energy: 0.4981192278562845
Energy: 0.5209473279194047
Energy: 0.5281465155200948
Energy: 0.513434276693324
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Energy: 0.5063342781898009
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Energy: 0.4678307657160124
Energy: 0.5240069598626582
Energy: 0.49088968743572914
Energy: 0.5042168623789245
Energy: 0.4682444526465343
Energy: 0.5327357203626221
Energy: 0.5422082255298531
Energy: 0.48733724708971976
Energy: 0.5612751321476797
Energy: 0.4656574356088525
Energy: 0.4877862391202979
Energy: 0.5502447946332112
Energy: 0.5040148471750726
Energy: 0.4798851477186203
Energy: 0.5255745530336079
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Energy: 0.4901815273691382
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Energy: 0.5248687739533183
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Energy: 0.5243486678060282
Energy: 0.5336135848622722
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minimum gb energy = 0.45018139527943674 eV
minimum distance =  2.52729475239538 Angstroms
sigma value = 105


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

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Energy: 0.4890591377230193
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Energy: 0.5224869185922825
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Energy: 0.4582088937571178
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Energy: 0.4631655985207541
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Energy: 0.4581956919200728
Energy: 0.45847361580950735
Energy: 0.49674036101296726
Energy: 0.4626707360670643
Energy: 0.4826702687656738
Energy: 0.48371354971607095
Energy: 0.45491541918098416
Energy: 0.4901043007476238
Energy: 0.4695553705606663
Energy: 0.4916777439887486
Energy: 0.4828412489604015
Energy: 0.5289760666664014
Energy: 0.48515908607846164
Energy: 0.46974624972222584
Energy: 0.4658506012342593
Energy: 0.4859699159996747
Energy: 0.48738803655889223
Energy: 0.5226880168285674
Energy: 0.5846247357031193
Energy: 0.46566803302068244
Energy: 0.4857531939806502
Energy: 0.48526446618301083
Energy: 0.5235354451336913
Energy: 0.5726604758446934
Energy: 0.5325131593328164
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Energy: 0.45818042319424823
Energy: 0.4643503477937957
Energy: 0.4998102818560205
Energy: 0.5220022234254742
Energy: 0.47339405784965594
Energy: 0.45843656163651436
Energy: 0.465216029588043
Energy: 0.5674479822671461
Energy: 0.522642713624703
Energy: 0.45153132279718583
Energy: 0.46659474458411154
Energy: 0.4756765001939277
Energy: 0.5297476298166288
Energy: 0.4999414871307238
Energy: 0.450528269444126
Energy: 0.468307106146905
Energy: 0.4845122675784309
Energy: 0.5334591406452546
Energy: 0.4695851321253601
Energy: 0.5416219946521026
Energy: 0.49033330800470715
Energy: 0.4820766145911155
Energy: 0.49858324432422274
Energy: 0.4729289606571121
Energy: 0.5339857210191103
Energy: 0.5145846851694064
Energy: 0.47737525962191135
Energy: 0.5003334820499754
Energy: 0.4672295993205041
Energy: 0.5079980173496706
Energy: 0.46498399381314925
Energy: 0.4830589042129995
Energy: 0.4664075282087056
Energy: 0.4682836370930659
Energy: 0.5037346347703334
Energy: 0.4595416750325813
Energy: 0.4770824132465244
Energy: 0.4689681128846067
Energy: 0.5741236538329826
Energy: 0.45922347285709153
Energy: 0.48023440469053663
Energy: 0.4798325283716415
Energy: 0.46244191739721924
Energy: 0.5788327153854779
Energy: 0.45036229218729523
Energy: 0.4747133017403246
Energy: 0.47531425226314866
Energy: 0.45523859933215644

minimum gb energy = 0.4501562560437774 eV
minimum distance =  2.52776215100179 Angstroms
sigma value = 165


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

Energy: 0.5476501529096949
Energy: 0.42352654405780465
Energy: 0.43722918786300385
Energy: 0.4526473793056552
Energy: 0.4080112887888264
Energy: 0.5475886776435748
Energy: 0.42336742744227157
Energy: 0.43721296043508484
Energy: 0.44889435182067416
Energy: 0.40806674170990453
Energy: 0.4608598944344902
Energy: 0.43753256254458245
Energy: 0.42415637078491936
Energy: 0.42445900444537044
Energy: 0.4370243201936122
Energy: 0.45019863605555493
Energy: 0.4365316888857098
Energy: 0.4247701587652297
Energy: 0.4251400914236678
Energy: 0.4160414480003489
Energy: 0.4239391411753931
Energy: 0.49801299514534525
Energy: 0.49004946682450495
Energy: 0.4697057270144579
Energy: 0.4526704774241705
Energy: 0.4240796974085416
Energy: 0.4983231631436675
Energy: 0.4823395630936541
Energy: 0.42415187044169567
Energy: 0.4531884120239423
Energy: 0.5102223402776201
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Energy: 0.4252918526058684
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Energy: 0.5549776899892341
Energy: 0.4662376338227774
Energy: 0.44332519780272656
Energy: 0.425441393716903
Energy: 0.4075889147542759
Energy: 0.4790805755307339
Energy: 0.4528228833716383
Energy: 0.42379703206654035
Energy: 0.4237222655695111
Energy: 0.4495445505050137
Energy: 0.41516737009237514
Energy: 0.4512006914474471
Energy: 0.42367904254382965
Energy: 0.4236982122638227
Energy: 0.4826890982230943
Energy: 0.499760917721939
Energy: 0.42426406656299337
Energy: 0.46186155305317117
Energy: 0.48085573001784165
Energy: 0.5496481349070359
Energy: 0.4854642383992984
Energy: 0.42394495044147235
Energy: 0.46410232276491614
Energy: 0.5644908796834683
Energy: 0.5498478907454852
Energy: 0.4399902081833604
Energy: 0.42432450692133145
Energy: 0.424146440534633
Energy: 0.4236479584825404
Energy: 0.4497825625571268
Energy: 0.4821758029858261
Energy: 0.4597256972320483
Energy: 0.4239497277545913
Energy: 0.4236463934605664
Energy: 0.45407758477785093
Energy: 0.5377108018959159
Energy: 0.4800677764003911
Energy: 0.4232229023885919
Energy: 0.44554250038552223
Energy: 0.44130512664377675
Energy: 0.5363160936468729
Energy: 0.48034857698073563
Energy: 0.4232650879983698
Energy: 0.44588670924571183
Energy: 0.44238155134435014
Energy: 0.42344810287746315
Energy: 0.5112447921028505
Energy: 0.46672281587671327
Energy: 0.4307553107108826
Energy: 0.4486988285860486
Energy: 0.4237068674424128
Energy: 0.5114437397628894
Energy: 0.4788760466024813
Energy: 0.4341264610638526
Energy: 0.4510124811677539
Energy: 0.5019607042813049
Energy: 0.4237781970343374
Energy: 0.4511938508049581
Energy: 0.45485430778870306
Energy: 0.43841441016091437
Energy: 0.5154941797636491
Energy: 0.42337545875973287
Energy: 0.4511299421055121
Energy: 0.4552667371189157
Energy: 0.4391821302686803

minimum gb energy = 0.4075889147542759 eV
minimum distance =  2.65390919941812 Angstroms
sigma value = 41


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

Energy: 0.8532874502888089
Energy: 0.45118017003345706
Energy: 0.4425004640425207
Energy: 0.3988086033678724
Energy: 0.3818402160129628
Energy: 0.3716465944610225
Energy: 0.3918787476431729
Energy: 0.4365979939287855
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Energy: 0.42066677243742734
Energy: 0.3938416915197113
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Energy: 0.3967028184562295
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Energy: 0.4029808912552879
Energy: 0.40585226363910615
Energy: 0.40566844977704497
Energy: 0.38940132626387386
Energy: 0.48581010311733713
Energy: 0.4887929041299829
Energy: 0.41586602737817246
Energy: 0.39492434281311056
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Energy: 0.49475937997453695
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Energy: 0.43731011605041764
Energy: 0.48549905610597666
Energy: 0.4115312173399876
Energy: 0.3977061187059534
Energy: 0.3953512209450858
Energy: 0.3900613768565646
Energy: 0.43005851310645493
Energy: 0.38327310973372547
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Energy: 0.39005126857509825
Energy: 0.43032527653384695
Energy: 0.4330474741186249
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Energy: 0.41160189775277917
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Energy: 0.3894179009283157
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Energy: 0.39480255024275107
Energy: 0.46302078352035125
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Energy: 0.4262814894646495
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Energy: 0.43240318345647133
Energy: 0.4442141128579988
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Energy: 0.388404143872225
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Energy: 0.399322179687266
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Energy: 0.44206952108315906
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Energy: 0.4514455840804528
Energy: 0.37321422183919056
Energy: 0.4890650811954319
Energy: 0.41117466957648424
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Energy: 0.4006881751764605
Energy: 0.504743392718955
Energy: 0.3905477095125745
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Energy: 0.39226000825710705
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Energy: 0.4144050379551184
Energy: 0.39475249402762463
Energy: 0.378155047955453
Energy: 0.3944353921611466
Energy: 0.4596488209133442
Energy: 0.4169419084577483
Energy: 0.3946268456324349
Energy: 0.3779590603027811
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Energy: 0.38865529999798065
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Energy: 0.4047797712246066
Energy: 0.40889663580227475
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Energy: 0.41867701623962156
Energy: 0.4595785953297501
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Energy: 0.39574533826557345
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Energy: 0.38974774865742096
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Energy: 0.3911891271445842
Energy: 0.38916892367987593
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Energy: 0.3826259410406409
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Energy: 0.4427398309781411
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Energy: 0.38192976250760546
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Energy: 0.4205203864817181
Energy: 0.43686377870425824
Energy: 0.38963531720281513
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Energy: 0.4758635108126894
Energy: 0.3964168059522866
Energy: 0.38962869151332985
Energy: 0.4122646358824252
Energy: 0.40412132359382946
Energy: 0.475610251667492
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Energy: 0.4206488178467622
Energy: 0.40397983147423006
Energy: 0.40266697497111464
Energy: 0.40166653193825275
Energy: 0.39765670265931774
Energy: 0.4198567489090684
Energy: 0.4038753656794913
Energy: 0.4027469193589412
Energy: 0.4006530823155784
Energy: 0.3839173707282472
Energy: 0.42044484623308653
Energy: 0.4021863044781186
Energy: 0.4077445271498777
Energy: 0.427067947906375
Energy: 0.383992398594187
Energy: 0.41998868805028433
Energy: 0.4027670686844004
Energy: 0.4064087970189024
Energy: 0.43759563494154313
Energy: 0.4000847404752072
Energy: 0.4059930355170192
Energy: 0.4261603368581274
Energy: 0.44843338804390037
Energy: 0.4343458809850157
Energy: 0.3894164133503723
Energy: 0.4063526124525363
Energy: 0.4185809679369293
Energy: 0.44115352316829815
Energy: 0.43696529863986217
Energy: 0.49350008772329734
Energy: 0.4028387278730269
Energy: 0.4424187611214659
Energy: 0.4430162085608709
Energy: 0.37903481438032693
Energy: 0.39417232662389645
Energy: 0.39043966312930306
Energy: 0.43571456949068366
Energy: 0.43828613916401604
Energy: 0.3860466400050518

minimum gb energy = 0.3716465944610225 eV
minimum distance =  2.65805020232502 Angstroms
sigma value = 185


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

Energy: 0.21601193268815516
Energy: 0.2724714556685811
Energy: 0.3110454116392386
Energy: 0.25147372568049714
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Energy: 0.1626419183063276
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Energy: 0.2690395717491247
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Energy: 0.14515937196645878
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Energy: 0.28761906671856446
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Energy: 0.14521030806150295
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Energy: 0.27209645844595615
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Energy: 0.2575268821232966
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Energy: 0.26559070878278074
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Energy: 0.29526707079230924
Energy: 0.2807895148974682
Energy: 0.25453182188395435
Energy: 0.18474822408371386
Energy: 0.24912915573203184
Energy: 0.3037689238037955
Energy: 0.283143137440935
Energy: 0.16232880644984674
Energy: 0.16390829396023504
Energy: 0.26254563654273977
Energy: 0.27779427796824113
Energy: 0.2805664830345434
Energy: 0.1791033078121459
Energy: 0.1786403284327616
Energy: 0.27424963004578773
Energy: 0.27813974824748844
Energy: 0.2759237101882991
Energy: 0.2469616073869229
Energy: 0.2489113568317847
Energy: 0.2602337527613287
Energy: 0.27673466424292675
Energy: 0.25815909455740016
Energy: 0.24677251486577717
Energy: 0.264871414599893
Energy: 0.25543387879055807
Energy: 0.2794513523288463
Energy: 0.2658467456586918
Energy: 0.2218474181214934
Energy: 0.26425676409870313
Energy: 0.27804403527784205
Energy: 0.3042582994256818
Energy: 0.27015756673633257
Energy: 0.17902898793689215
Energy: 0.2813262518563522
Energy: 0.3020843006718247
Energy: 0.31097531123558986
Energy: 0.2166310642377067

minimum gb energy = 0.14515937196645878 eV
minimum distance =  2.6586086341221 Angstroms
sigma value = 33


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

Energy: 0.38283849353918853
Energy: 0.3843174809464247
Energy: 0.38196277244952137
Energy: 0.37088517839648577
Energy: 0.3502343120124492
Energy: 0.3646312111198852
Energy: 0.34859215197190396
Energy: 0.37156557997227735
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Energy: 0.4070842675976956
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Energy: 0.4474617157558785
Energy: 0.3565845284902991
Energy: 0.3702075133030749
Energy: 0.39908507566543944
Energy: 0.40497378248673616
Energy: 0.4094110438256038
Energy: 0.37060209056601995
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Energy: 0.35932693108301217
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Energy: 0.35714232020634956
Energy: 0.3765175768772433
Energy: 0.37535698426983044
Energy: 0.41543452618759047
Energy: 0.3721040013085735
Energy: 0.37774554375672353
Energy: 0.37711855496787905
Energy: 0.37733288866590764
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Energy: 0.3929590712004164
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Energy: 0.38326356384089894
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Energy: 0.36516302148880353
Energy: 0.36389613654096675
Energy: 0.41106876500159795
Energy: 0.3721618180182916
Energy: 0.365587207426786
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Energy: 0.3720435344730328
Energy: 0.36515943877654294
Energy: 0.3641389302294576
Energy: 0.36415247685508517
Energy: 0.3860231666675606
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Energy: 0.3723045091131306
Energy: 0.3641016262439913
Energy: 0.3642696133476143
Energy: 0.38556999315273277
Energy: 0.3704047375537169
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Energy: 0.34851307449231556
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Energy: 0.3487067774960399
Energy: 0.3718152001412715
Energy: 0.390529076408182
Energy: 0.41578654458116004

minimum gb energy = 0.3480947476190345 eV
minimum distance =  2.57058191672904 Angstroms
sigma value = 219


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

Energy: 0.6668208409628995
Energy: 0.4299279843949067
Energy: 0.46510019261716024
Energy: 0.4432865439497123
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Energy: 0.42922490629170906
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Energy: 0.43025286670719826
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Energy: 0.6088350421518949
Energy: 0.4032892593488918
Energy: 0.4301246516273528
Energy: 0.4416041346846009
Energy: 0.4305381316877519
Energy: 0.430407400774367
Energy: 0.4513313173397981
Energy: 0.4980675686053726
Energy: 0.44113537967960076
Energy: 0.4300658207668729
Energy: 0.430547836607545
Energy: 0.4513936314192353
Energy: 0.46607573168319794
Energy: 0.4305853016593892
Energy: 0.4311266982379317
Energy: 0.4033064421137261
Energy: 0.43037958221478756
Energy: 0.4452499056339038
Energy: 0.4453604613973572
Energy: 0.429837075057422
Energy: 0.4036700174168466
Energy: 0.4302005661731805
Energy: 0.4455018378100074
Energy: 0.44535903045965236
Energy: 0.4296714222690461

minimum gb energy = 0.4032892593488918 eV
minimum distance =  2.61757554226125 Angstroms
sigma value = 15


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

Energy: 0.7899838128230843
Energy: 0.5161280958695502
Energy: 0.5157211380510436
Energy: 0.4963554364783002
Energy: 0.4922412064786801
Energy: 0.636268181422854
Energy: 0.5152424436582929
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Energy: 0.5825158929604712
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Energy: 0.5005221486953152
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Energy: 0.4846106370674648
Energy: 0.5393458466698096
Energy: 0.5195861707647005
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minimum gb energy = 0.4838675754011648 eV
minimum distance =  2.59666326906448 Angstroms
sigma value = 293


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

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Energy: 0.48383438096480863
Energy: 0.4932587095807434
Energy: 0.5056627555376733
Energy: 0.6047994077215958
Energy: 0.489938125403231
Energy: 0.4842163670387675
Energy: 0.49322645948314964
Energy: 0.48331038305877
Energy: 0.6049500477054575
Energy: 0.4904646987682387
Energy: 0.4921030674124325
Energy: 0.5082137461993441
Energy: 0.49210548643982077
Energy: 0.5004613101763535
Energy: 0.5372621723332726
Energy: 0.5081556156800482
Energy: 0.5093320244706105
Energy: 0.49228492486542774
Energy: 0.5001394008208296
Energy: 0.5327228592062093
Energy: 0.5328119451482328
Energy: 0.5186997132670249
Energy: 0.5215925084185827
Energy: 0.5652766103275543
Energy: 0.5611203887836609
Energy: 0.5333218501864315
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Energy: 0.518927496360212
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Energy: 0.5609250920555712
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Energy: 0.5683023534713038
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Energy: 0.5322439484168069
Energy: 0.49033804087456095
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Energy: 0.6138021123176401
Energy: 0.49227366162668285
Energy: 0.49320307590215084
Energy: 0.48404853177944035
Energy: 0.4720656123307236
Energy: 0.613606457615812
Energy: 0.49220266137633023
Energy: 0.49243506296480716
Energy: 0.48380815570903474
Energy: 0.4713430427822711
Energy: 0.5252126509112451
Energy: 0.5145343657554834
Energy: 0.48370796021935225
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Energy: 0.47706792276300714
Energy: 0.5325542958232589
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Energy: 0.5092625758980428
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Energy: 0.5148807998074834
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Energy: 0.49147056098964564
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Energy: 0.49271666848655765
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Energy: 0.4890481109892294
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Energy: 0.4919380600488305
Energy: 0.48825399170305644
Energy: 0.49075731093595
Energy: 0.6050100279302624
Energy: 0.4835353697099046
Energy: 0.49190438846223306
Energy: 0.48450507195165815
Energy: 0.5315320896311793
Energy: 0.6049853560650896
Energy: 0.48365962632674925
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Energy: 0.4847527211950688
Energy: 0.5315050114869039
Energy: 0.561914554451279
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Energy: 0.5230600116616023
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Energy: 0.563324010314908
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Energy: 0.5645616121100955
Energy: 0.5637163004148285
Energy: 0.5324498138705305
Energy: 0.517924156131132
Energy: 0.4726270826769558
Energy: 0.48323483512700466
Energy: 0.5728000533069508
Energy: 0.5316863344401092
Energy: 0.5589300978221899
Energy: 0.4709356816596897
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Energy: 0.4907452352704252
Energy: 0.5054556044694262
Energy: 0.6162916448102711
Energy: 0.6241211108517716
Energy: 0.49170463410095083
Energy: 0.4905529586241537
Energy: 0.50575001996403
Energy: 0.6147554924526728
Energy: 0.46997088058421593
Energy: 0.4929014326734614
Energy: 0.4936520666762243
Energy: 0.4910729715804189
Energy: 0.48881903772237234
Energy: 0.5157912237862575
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Energy: 0.5154447577670211
Energy: 0.5069208570654099
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Energy: 0.5723416700226782
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Energy: 0.4918129395310113
Energy: 0.5064610437027601
Energy: 0.5056373850457909
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Energy: 0.5788681765120178
Energy: 0.5157717202537413
Energy: 0.5070719330330259
Energy: 0.5052938683094289
Energy: 0.49274808835088635
Energy: 0.5157658384746238
Energy: 0.5164403332347423
Energy: 0.6137467122076042
Energy: 0.49413404476440487
Energy: 0.5324725721405571
Energy: 0.5161213690082688
Energy: 0.5219010617711652
Energy: 0.6152750335228286
Energy: 0.5446628708718073
Energy: 0.48240727706587194
Energy: 0.5151572632850027
Energy: 0.49157959934867784
Energy: 0.5629738105323209
Energy: 0.49315592161847127
Energy: 0.4828513009312865
Energy: 0.5151022852558352
Energy: 0.49193796997274614
Energy: 0.4709132876571849
Energy: 0.49241360264317513
Energy: 0.4920472290864214
Energy: 0.5063188800046932
Energy: 0.5611892878821958
Energy: 0.5190242067212192
Energy: 0.4921125759377488
Energy: 0.49266391001774223
Energy: 0.5064445780104788
Energy: 0.5628508390174278
Energy: 0.4920348013624365
Energy: 0.4842682150857885
Energy: 0.5237603548051033
Energy: 0.48364363084635165
Energy: 0.6050144620894915
Energy: 0.49004518038378414
Energy: 0.4915002041036979
Energy: 0.5232664833123927
Energy: 0.48352932082923794
Energy: 0.6050272603636325
Energy: 0.49071200576302987
Energy: 0.4833658572109902
Energy: 0.5070560860178716
Energy: 0.5318724459797342
Energy: 0.48815414676743735
Energy: 0.5610799777663049
Energy: 0.508205327526981
Energy: 0.5083182631383516
Energy: 0.5320612275877156
Energy: 0.4928255639682738
Energy: 0.5617664560119056
Energy: 0.5326591250070758
Energy: 0.49229576844087475
Energy: 0.5187848598034237
Energy: 0.5654751516715202
Energy: 0.5622847481890417
Energy: 0.5331406325232718
Energy: 0.49181227114924403
Energy: 0.5193200201149075
Energy: 0.5242903195085481
Energy: 0.5620675324819429
Energy: 0.5597225224756947
Energy: 0.4841800829130288
Energy: 0.5672391907175172
Energy: 0.49315526529026393
Energy: 0.5325271000625609
Energy: 0.6139803239254458
Energy: 0.5057112833057671
Energy: 0.5660321671957711
Energy: 0.49329863351479863
Energy: 0.49352824501238773

minimum gb energy = 0.46987227634402806 eV
minimum distance =  2.59512155764975 Angstroms
sigma value = 293


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

Energy: 0.4718111353768807
Energy: 0.5083422889089781
Energy: 0.5092691246602167
Energy: 0.530197293963811
Energy: 0.46330570935410925
Energy: 0.46943999754703003
Energy: 0.5068705666400577
Energy: 0.5087448933709676
Energy: 0.5308521686100987
Energy: 0.46320919472718697
Energy: 0.5327971598312568
Energy: 0.4937523400549047
Energy: 0.4665152404342983
Energy: 0.526735459245241
Energy: 0.5157929151126136
Energy: 0.506457256725979
Energy: 0.49722359048694037
Energy: 0.4704177335967712
Energy: 0.5252309185522103
Energy: 0.5078707543123037
Energy: 0.5251598187448461
Energy: 0.5313931706252393
Energy: 0.49291295563955984
Energy: 0.5104107821389775
Energy: 0.5337535804177876
Energy: 0.5246114559197433
Energy: 0.5294690110368776
Energy: 0.4665606650215085
Energy: 0.5097521302991411
Energy: 0.5119836415664363
Energy: 0.5093236030528233
Energy: 0.46314254049995857
Energy: 0.4630479845325994
Energy: 0.5188885706194816
Energy: 0.5107846937474213
Energy: 0.5093988525223997
Energy: 0.4632646067974653
Energy: 0.46305724837982676
Energy: 0.5259763356801415
Energy: 0.46842383069975496
Energy: 0.5528145807018794
Energy: 0.46585152150956305
Energy: 0.4628526813212227
Energy: 0.47284998324154714
Energy: 0.47361049634224184
Energy: 0.5249305127408089
Energy: 0.4647825854204573
Energy: 0.4633568158205384
Energy: 0.467212096639074
Energy: 0.47609757023895033
Energy: 0.49583599340120044
Energy: 0.5105813008387771
Energy: 0.5098261476720478
Energy: 0.495533553778237
Energy: 0.4699705861161887
Energy: 0.5295276651825338
Energy: 0.5091585838927882
Energy: 0.5310833112279741
Energy: 0.49587999638268404
Energy: 0.4695900642574443
Energy: 0.5101704997625603
Energy: 0.4632908090319345
Energy: 0.509483769860411
Energy: 0.4948771146955203
Energy: 0.5073440774541951
Energy: 0.5117369725604237
Energy: 0.4620511930780295
Energy: 0.5083851508965345
Energy: 0.4673434216593746
Energy: 0.5078087325720892
Energy: 0.5242168762847053
Energy: 0.5315217744334506
Energy: 0.47280462029825593
Energy: 0.4631134767943841
Energy: 0.46358425874136144
Energy: 0.4970273348055144
Energy: 0.5666241469088097
Energy: 0.47279347465101174
Energy: 0.46467692141361544
Energy: 0.46401853538681626
Energy: 0.4665916831170733
Energy: 0.4695818939939271
Energy: 0.526701538583311
Energy: 0.4630844292337601
Energy: 0.5356766362064216
Energy: 0.46674935247196087
Energy: 0.5267217714153891
Energy: 0.5244832407703947
Energy: 0.4633061391617301
Energy: 0.49982566375857207
Energy: 0.49586590100450467
Energy: 0.46782760613323604
Energy: 0.5677562665535525
Energy: 0.4762889013163411
Energy: 0.532680209811374
Energy: 0.5025708405261416
Energy: 0.4729084865093972
Energy: 0.5683750359500112
Energy: 0.49665705910939234
Energy: 0.5307697150215718
Energy: 0.4629564837483635
Energy: 0.5119569941939542
Energy: 0.49505870424903503
Energy: 0.5251971736744419
Energy: 0.47703335457848745
Energy: 0.4629478133032736
Energy: 0.5116512930699365
Energy: 0.46920119613583267
Energy: 0.49572510761161254
Energy: 0.4759293924782154
Energy: 0.47180548419678925
Energy: 0.507961777959754
Energy: 0.5085724046870457
Energy: 0.5301568624715075
Energy: 0.46340710731513646
Energy: 0.47042151797122594
Energy: 0.5073300530015163
Energy: 0.5085027198180558
Energy: 0.5309733233176608
Energy: 0.46329554927161365
Energy: 0.5319227698021056
Energy: 0.49741209668677705
Energy: 0.4964948734605543
Energy: 0.5262865834511994
Energy: 0.5235011931517521
Energy: 0.5054181738928757
Energy: 0.49514362825474717
Energy: 0.47052950382582476
Energy: 0.5242321118866389
Energy: 0.5100778508381496
Energy: 0.5248041332292824
Energy: 0.5299392498105466
Energy: 0.4935837725366085
Energy: 0.5089827552075299
Energy: 0.5342292399988029
Energy: 0.5256595236987265
Energy: 0.529492718778731
Energy: 0.46671188293381716
Energy: 0.5094852101895302
Energy: 0.5096254107555535
Energy: 0.5092226032640111
Energy: 0.4630639281251501
Energy: 0.46293149416790724
Energy: 0.5186920367948303
Energy: 0.5102738520482445
Energy: 0.5098265273179823
Energy: 0.46308654573522035
Energy: 0.46302901899147053
Energy: 0.525128347517995
Energy: 0.5339222902670593
Energy: 0.554955672265832
Energy: 0.46343409305120664
Energy: 0.462873677988143
Energy: 0.5518969629860603
Energy: 0.473633681775008
Energy: 0.5094621481417221
Energy: 0.4647052133277743
Energy: 0.4630678329936463
Energy: 0.4671846691587053
Energy: 0.4761633553737372
Energy: 0.4993024763994727
Energy: 0.5105685775145814
Energy: 0.5086367940229359
Energy: 0.49644939891680373
Energy: 0.47023184757644565
Energy: 0.5294950377041828
Energy: 0.5096925352722664
Energy: 0.5312794662159213
Energy: 0.49573017857531254
Energy: 0.4698142251444393
Energy: 0.5256874673304003
Energy: 0.46339478867298456
Energy: 0.510147481520814
Energy: 0.494805589633717
Energy: 0.4722483895379608
Energy: 0.5258741487424776
Energy: 0.4620662232460739
Energy: 0.5083819251183023
Energy: 0.4673240712537123
Energy: 0.4674068819521929
Energy: 0.5128050218783479
Energy: 0.5314695113982998
Energy: 0.4733235321956405
Energy: 0.4631073639942551
Energy: 0.4634742846088607
Energy: 0.49765356224981877
Energy: 0.5664840703161428
Energy: 0.4726629646288182
Energy: 0.4639011086900705
Energy: 0.4640535777520628
Energy: 0.4668350844587718
Energy: 0.4701683184514824
Energy: 0.5271739363102962
Energy: 0.4630785197394897
Energy: 0.4940231686130657
Energy: 0.46677308290272085
Energy: 0.5261711538065583
Energy: 0.5250651182921715
Energy: 0.4631546766013443
Energy: 0.4981252510506719
Energy: 0.49530051887822973
Energy: 0.46764332391537433
Energy: 0.5676053684657537
Energy: 0.49703218791865683
Energy: 0.5327468354528984
Energy: 0.4973737552006806
Energy: 0.4731308155171451
Energy: 0.5684846132400361
Energy: 0.5245898557423452
Energy: 0.530892580710654
Energy: 0.4629513139585626
Energy: 0.5074553999961572
Energy: 0.4953136346220208
Energy: 0.509987953779342
Energy: 0.4756132808319818
Energy: 0.4628261622153731
Energy: 0.5079324504301238
Energy: 0.469309525856593
Energy: 0.5192435209070704
Energy: 0.4749765218300796

minimum gb energy = 0.4620511930780295 eV
minimum distance =  2.6153266540596 Angstroms
sigma value = 15


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

Energy: 0.5440937191743671
Energy: 0.5492708989732644
Energy: 0.5610598781039515
Energy: 0.5346867324296221
Energy: 0.5226667206442275
Energy: 0.5289639220037738
Energy: 0.5351754723443347
Energy: 0.5572738052894617
Energy: 0.5400935655347068
Energy: 0.5398213266985449
Energy: 0.5378061120652101
Energy: 0.5504587328425123
Energy: 0.5258745385039134
Energy: 0.5269618183840836
Energy: 0.5361213023644189
Energy: 0.5747210077611935
Energy: 0.5467322722077064
Energy: 0.5261048865232685
Energy: 0.5468708533955745
Energy: 0.535136221709233
Energy: 0.5474295909738214
Energy: 0.5538345590853222
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Energy: 0.527144098567273
Energy: 0.5443648304617209
Energy: 0.5446978892363565
Energy: 0.5484313755222997
Energy: 0.5450543116251835
Energy: 0.5283568369473236
Energy: 0.5458741888923906
Energy: 0.5465351301762894
Energy: 0.5081374120850043
Energy: 0.5381224101096664
Energy: 0.5499602900882917
Energy: 0.5455523374228446
Energy: 0.5449543144578516
Energy: 0.5094871626329998
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Energy: 0.5460178257697924
Energy: 0.5579664805027412
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Energy: 0.5256663567755084
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Energy: 0.5566610933499412
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Energy: 0.5666867969867675
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Energy: 0.4920805840036475
Energy: 0.5600988714615913
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Energy: 0.569855901025123
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Energy: 0.4916633569845769
Energy: 0.5631908885203017
Energy: 0.565806054807161
Energy: 0.4967718434628893
Energy: 0.4903976147620178
Energy: 0.4932675975987044
Energy: 0.4934122661572151
Energy: 0.5563624899602737
Energy: 0.49577384431423765
Energy: 0.48965824928259793
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Energy: 0.49889269815184406
Energy: 0.5033919702822839
Energy: 0.49709989431140145
Energy: 0.49020590086126686
Energy: 0.4906359558107987
Energy: 0.5271371307696708
Energy: 0.5309772789704729
Energy: 0.4993385912668953
Energy: 0.4896335797998078
Energy: 0.49667902919349666
Energy: 0.5264472587013808
Energy: 0.5490603217358557
Energy: 0.5261339798525051
Energy: 0.5655113215750257
Energy: 0.5440733195393549
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Energy: 0.5108994615783732
Energy: 0.5264841284432664
Energy: 0.5670785299806445
Energy: 0.5499954450326539
Energy: 0.5259379637628044
Energy: 0.4912523897226078
Energy: 0.5488545388964731
Energy: 0.5541117624894119
Energy: 0.4848553439807349
Energy: 0.4892088908042672
Energy: 0.5072079121252423
Energy: 0.5362440065855357
Energy: 0.5271163208266266
Energy: 0.48482048093805086
Energy: 0.49108080446950814
Energy: 0.506001604146404
Energy: 0.5126492814178276
Energy: 0.519398652224632
Energy: 0.4927631313282458
Energy: 0.4906618372718042
Energy: 0.48910467263154667
Energy: 0.5083962043342771
Energy: 0.5338881192149256
Energy: 0.4929876616490184
Energy: 0.48898078029905157
Energy: 0.4893029467503458
Energy: 0.582573051438228
Energy: 0.5112286885895858
Energy: 0.4969543785036805
Energy: 0.48123614897066125
Energy: 0.5105054718859279
Energy: 0.5824764047038501
Energy: 0.511800743619072
Energy: 0.4994234876009781
Energy: 0.5329788209323638
Energy: 0.5136644833522281
Energy: 0.5401587326868598
Energy: 0.5114456111435871
Energy: 0.5153455359938653
Energy: 0.516992908889512
Energy: 0.5128898721685468
Energy: 0.541505164692731
Energy: 0.5139236385604687
Energy: 0.5139342584558237
Energy: 0.5211358683676932
Energy: 0.5131617676562837
Energy: 0.5302200546839658
Energy: 0.5113807071774604
Energy: 0.5679755962082669
Energy: 0.5502453694032461
Energy: 0.5092123601504162
Energy: 0.5279208828092301
Energy: 0.5116875117703569
Energy: 0.5588720939372991
Energy: 0.5528398875906755
Energy: 0.5086595697780998
Energy: 0.5080314132285944
Energy: 0.5269412702540989
Energy: 0.5483526228285975
Energy: 0.5781913057549782
Energy: 0.5155256952480665
Energy: 0.5087692120922431
Energy: 0.5333269628806564
Energy: 0.5514589795421265
Energy: 0.5813652553607621
Energy: 0.5126395861034541
Energy: 0.57014436761934
Energy: 0.5598624468761323
Energy: 0.5492814157845817
Energy: 0.5488680913095415
Energy: 0.4802465546856882
Energy: 0.5572534246242862
Energy: 0.5585801337903376
Energy: 0.5487825968779921
Energy: 0.549638443264887
Energy: 0.47695605949237274
Energy: 0.5526510581259217
Energy: 0.5123654785774931
Energy: 0.5746875492196726
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Energy: 0.5266253050723768
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Energy: 0.5364533426045761
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Energy: 0.4898002533501701
Energy: 0.49592183304468773
Energy: 0.5122891217367436
Energy: 0.5143713764911986
Energy: 0.5345957951149485
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Energy: 0.4906566477447702
Energy: 0.49131632315013574
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Energy: 0.49232955395646144
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Energy: 0.5824853855889327
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Energy: 0.48907767145629516
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Energy: 0.563954816256368
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Energy: 0.4976117998472497
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Energy: 0.5682452085553747
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Energy: 0.5695530614325333
Energy: 0.5673900609319877
Energy: 0.5677254201833616
Energy: 0.5732682036490724
Energy: 0.49483622166411645
Energy: 0.5002106630211165
Energy: 0.5662762149584694
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Energy: 0.500999652132224
Energy: 0.5694137659974011
Energy: 0.49188493004241673
Energy: 0.49152393671297756
Energy: 0.4917677596785845
Energy: 0.4993278895520586
Energy: 0.5258596461848949
Energy: 0.5415519020323367
Energy: 0.49407137344983776
Energy: 0.4891953367763116
Energy: 0.5377223005845368
Energy: 0.5287668024503659
Energy: 0.5024896618121698
Energy: 0.4931195631946025
Energy: 0.4891340922153198
Energy: 0.5450247442158865
Energy: 0.5262397601201796
Energy: 0.4853911133601115
Energy: 0.5400736861653271
Energy: 0.545318976337413
Energy: 0.5441349582878888
Energy: 0.5124264707490214
Energy: 0.4867714464574174
Energy: 0.5359411320411261
Energy: 0.5433348232590712
Energy: 0.4851809145567891
Energy: 0.49025157666740665
Energy: 0.5294131459644109
Energy: 0.5669554970868137
Energy: 0.5356146494795236
Energy: 0.48493158142036313
Energy: 0.4968051444895638
Energy: 0.5322044782757908
Energy: 0.5692434836725693
Energy: 0.5361775357272869
Energy: 0.49036426236492264
Energy: 0.4880766385524362
Energy: 0.4871535314182063
Energy: 0.5475898125386942
Energy: 0.49780439289129125
Energy: 0.48746843550097335
Energy: 0.49261630292096265
Energy: 0.49054999632667745
Energy: 0.5354814160028339
Energy: 0.4937296190220816
Energy: 0.4889253071640292
Energy: 0.489526491412757
Energy: 0.5642399391005897
Energy: 0.5649797320168419
Energy: 0.492918729008522
Energy: 0.4886275345784856
Energy: 0.4912366590433912
Energy: 0.5641172325622109
Energy: 0.535530099562139
Energy: 0.49129007449310047
Energy: 0.5381682568804205
Energy: 0.5475553692537919
Energy: 0.5498744471229577
Energy: 0.5592154965991094
Energy: 0.5058402654231263
Energy: 0.5311947162099039
Energy: 0.5354014425830596
Energy: 0.5338457587509019
Energy: 0.537969855478174
Energy: 0.5132484260089514

minimum gb energy = 0.4712825117850611 eV
minimum distance =  2.54532322413273 Angstroms
sigma value = 437


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

Energy: 0.6468843452622483
Energy: 0.5568500022684262
Energy: 0.5975114170323842
Energy: 0.5683707458779373
Energy: 0.5241120079357978
Energy: 0.60401265034911
Energy: 0.49785398799550334
Energy: 0.5799160297690488
Energy: 0.5703807692445754
Energy: 0.5480508445649835
Energy: 0.5088700792965841
Energy: 0.562251871645787
Energy: 0.5432842808999253
Energy: 0.5381647272802026
Energy: 0.5131736987512269
Energy: 0.5155416402541172
Energy: 0.5625010623131815
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Energy: 0.5696899433291492
Energy: 0.5666961572035571
Energy: 0.512599834849882
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Energy: 0.5104188565922576
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Energy: 0.5282573515020317
Energy: 0.5709184848893365
Energy: 0.47633071873334654
Energy: 0.5107513476112663
Energy: 0.47504335953444554
Energy: 0.47567220683371436
Energy: 0.5712660353815671
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Energy: 0.476559267970579
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Energy: 0.5712447724758539
Energy: 0.5109934105370831
Energy: 0.5079088618109212
Energy: 0.5107608516531055
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Energy: 0.47600057083314
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Energy: 0.5112528516312255
Energy: 0.5105530911142119
Energy: 0.4760044505570548
Energy: 0.5108068701999917
Energy: 0.4781052297115624
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Energy: 0.47406503216899465
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Energy: 0.5096545263866136
Energy: 0.5191171475996103
Energy: 0.6000926935770716
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Energy: 0.5111979216209551
Energy: 0.5079779198276443
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Energy: 0.5627886921091222
Energy: 0.5122138557067348
Energy: 0.5114308980403153
Energy: 0.508353941368423
Energy: 0.5125246123135258
Energy: 0.5625639880426656
Energy: 0.526123855186549
Energy: 0.5108671646149545
Energy: 0.4746327842933781
Energy: 0.59888083017361
Energy: 0.5672789994634678
Energy: 0.5259189620126186
Energy: 0.507960843756562
Energy: 0.4775604051900016
Energy: 0.5980698857761858
Energy: 0.5671446938716176
Energy: 0.47463731474887605
Energy: 0.5743469378759847
Energy: 0.4949667427935457
Energy: 0.5710172416171562
Energy: 0.47457939473563293
Energy: 0.4737319931061662
Energy: 0.5739452715412087
Energy: 0.4956965209246092
Energy: 0.5711547698722713
Energy: 0.4745134025617215
Energy: 0.5569725192548182
Energy: 0.5801983347407794
Energy: 0.48528341437786887
Energy: 0.4855550116411156
Energy: 0.5722298047081781
Energy: 0.5511618165265416
Energy: 0.5295130250374254
Energy: 0.48421295219501304
Energy: 0.5623513422703931
Energy: 0.5726362887109777
Energy: 0.4765072096162959
Energy: 0.4799666834115797
Energy: 0.5319283911633456
Energy: 0.6000723100983049
Energy: 0.477825172399414
Energy: 0.47622973026958454
Energy: 0.4805306105831135
Energy: 0.5659703005463749
Energy: 0.5998766277042529
Energy: 0.4762733446125585
Energy: 0.48240887430555424
Energy: 0.4843298918108285
Energy: 0.4877584589552742
Energy: 0.5760332680644515
Energy: 0.4810085533097107
Energy: 0.4804980858800202
Energy: 0.4859516962298417
Energy: 0.4790283971466021
Energy: 0.5661736654136346
Energy: 0.48028762210736936
Energy: 0.479954873465775
Energy: 0.4803019953325772
Energy: 0.5704330827798119
Energy: 0.5691505237399644
Energy: 0.4859585685466617
Energy: 0.48006598256242894
Energy: 0.474050748565797
Energy: 0.5712281820560285
Energy: 0.5688605037468161
Energy: 0.48368069452527146
Energy: 0.540552441065885
Energy: 0.4945523916278369
Energy: 0.5707884776906343
Energy: 0.48758290431531437
Energy: 0.48698722838919284
Energy: 0.5388564006397419
Energy: 0.4953583601467387
Energy: 0.5707327461705533
Energy: 0.4872249197932265
Energy: 0.5055417247180802

minimum gb energy = 0.4737319931061662 eV
minimum distance =  2.56957453339466 Angstroms
sigma value = 33