Model name: model_name=EAM_Dynamo_PunMishin_2009_NiAl__MO_751354403791_005
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=4.050000071525574
cohesive_energy=3.360264240729233
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=[1.6808435067293999e-19, 2.3534532794489397e-19, 2.86969061269008e-19, 3.26733483148254e-19, 3.5886833989639197e-19, 3.86874387458712e-19, 4.1120504182263594e-19, 4.3076441417050794e-19, 4.4647856259678e-19, 4.59763811245908e-19, 4.71501357266592e-19, 4.82099755700502e-19, 4.916855785017239e-19, 5.00278051789866e-19, 5.07936456100386e-19, 5.1471526543884e-19, 5.20632103748202e-19, 5.25683766675204e-19, 5.29857436806774e-19, 5.331274793167679e-19, 5.35525937737866e-19, 5.37132920901768e-19, 5.38041355053246e-19, 5.38331349024e-19, 5.3803494634671e-19, 5.3711369478216e-19, 5.355083137948919e-19, 5.3315631849618e-19, 5.29905502105794e-19, 5.25510731598732e-19, 5.19590688936102e-19, 5.116294732417559e-19, 5.010983662264739e-19, 4.8759842590839e-19, 4.70910154088646e-19, 4.50775600329168e-19, 4.26694885520148e-19, 3.9780764080912797e-19, 3.6270074640491994e-19, 3.1920966167499e-19, 2.64586653692028e-19, 1.9631950949392198e-19, 1.1272962862123018e-19, 9.6846770995398e-21, -1.2084962002000559e-19, -2.82957210977472e-19, -4.77051297126768e-19, -7.17836014744092e-19, -1.04407442531244e-18, -1.517576901194898e-18, -2.23651040693328e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -4.3766955338e-11 eV

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

Energy: 0.011681161256166651
Energy: 0.06253409366037306
Energy: 0.06170857419089196
Energy: 0.061861409716153205
Energy: 0.012319866681367413
Energy: 0.012592274018855069
Energy: 0.06201859893311521
Energy: 0.06166618921166877
Energy: 0.061808655469170325
Energy: 0.012252385580553759
Energy: 0.06198971821789541
Energy: 0.06195019365948179
Energy: 0.06245529100539325
Energy: 0.06163263140994048
Energy: 0.06202087670672376
Energy: 0.06210395245389488
Energy: 0.061860265444221
Energy: 0.06263577466858604
Energy: 0.06168805709327461
Energy: 0.062234434854496166
Energy: 0.061702077533127155
Energy: 0.012192459287855768
Energy: 0.011956047288094717
Energy: 0.061917983900794796
Energy: 0.06169830261729048
Energy: 0.062218471014446115
Energy: 0.012072922332711938
Energy: 0.011947024326239982
Energy: 0.06173019942791117
Energy: 0.06157089024500701
Energy: 0.06169044000100937
Energy: 0.01223823477203111
Energy: 0.012090990847883853
Energy: 0.061730139073834935
Energy: 0.06163398437071512
Energy: 0.06186137461044088
Energy: 0.01222329978880751
Energy: 0.012046738972164848
Energy: 0.06156415092540672
Energy: 0.061552331381377855
Energy: 0.0616612642416554
Energy: 0.06190080466911332
Energy: 0.061818064879396104
Energy: 0.012098514586234333
Energy: 0.012229497672704207
Energy: 0.061560791635225404
Energy: 0.0618955581127012
Energy: 0.06214204714493108
Energy: 0.01206947330169709
Energy: 0.061624662842188094
Energy: 0.061749884651452536
Energy: 0.0616589693560707
Energy: 0.06206066396288076
Energy: 0.011987710291569167
Energy: 0.012172412325509186
Energy: 0.06170895110079617
Energy: 0.406927056789998
Energy: 0.06238218751342525
Energy: 0.012046522309241503
Energy: 0.012367426151049965
Energy: 0.012265863957304592
Energy: 0.06183255026630081
Energy: 0.06156848962899306
Energy: 0.06360967324001478
Energy: 0.062072975702984964
Energy: 0.012266343528648313
Energy: 0.06188554891568436
Energy: 0.061592540038524705
Energy: 0.062449958069504354
Energy: 0.062481124724663877

minimum gb energy = 0.011681161256166651 eV
minimum distance =  2.82693618519854 Angstroms
sigma value = 3


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

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Energy: 0.5466776560617385
Energy: 0.5546190181097724
Energy: 0.5573329754070855
Energy: 0.5605989630302117
Energy: 0.6277605812292916
Energy: 0.5557904457706081
Energy: 0.5543120930221889
Energy: 0.5575470972390609
Energy: 0.5590309370912427
Energy: 0.5185714160897392
Energy: 0.6050493246214627
Energy: 0.5570242488468616
Energy: 0.5560266141791117
Energy: 0.4943736155335173
Energy: 0.48764755622726075
Energy: 0.6222557671008534
Energy: 0.5600086046516483
Energy: 0.5601901261153507
Energy: 0.5398557189526071
Energy: 0.5408158429229133
Energy: 0.7009225843620741
Energy: 0.5653077672920326
Energy: 0.52456182371888
Energy: 0.5328373602695416
Energy: 0.4928951981806773
Energy: 0.7019410104583509
Energy: 0.5675587969629146
Energy: 0.5060519014613879
Energy: 0.534914114980974
Energy: 0.5366331456043737
Energy: 0.5588932965092329
Energy: 0.5931779505153489
Energy: 0.48102555559095656
Energy: 0.5344418682778161
Energy: 0.5363347874838194
Energy: 0.5639989302722
Energy: 0.5919412014812037
Energy: 0.5617006993640193
Energy: 0.536852061018842
Energy: 0.6475292097970312
Energy: 0.5679520987009858
Energy: 0.6225014384969345
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Energy: 0.5138018556756366
Energy: 0.6531444150897168
Energy: 0.5680400906973657
Energy: 0.6072901103090761
Energy: 0.5872366925884094
Energy: 0.5543192713674555
Energy: 0.5937978294209739
Energy: 0.6288322315705114
Energy: 0.5991031172962109
Energy: 0.48684524970062065
Energy: 0.6739756838372709
Energy: 0.5936980348202812
Energy: 0.6280003965773799
Energy: 0.5553377164237417
Energy: 0.48455999977822195
Energy: 0.6737049064628194
Energy: 0.5747260132192534
Energy: 0.5742591381623017
Energy: 0.642290329615873
Energy: 0.48919616244637526
Energy: 0.6119738276163674
Energy: 0.5718682303667327
Energy: 0.6019624561347802
Energy: 0.6436281466701919
Energy: 0.4903238902559461
Energy: 0.5757730831683466
Energy: 0.569805734667158
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Energy: 0.7073673295202937
Energy: 0.5810096292934571
Energy: 0.5766415114357559
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Energy: 0.5706646427769579
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Energy: 0.5740956144619552
Energy: 0.5773023728145649
Energy: 0.5050870018963269
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Energy: 0.4359028676277841
Energy: 0.5759075111475076
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Energy: 0.6211448100014633
Energy: 0.6611932640288818
Energy: 0.5255105032125841
Energy: 0.5973937997681718
Energy: 0.5879427665921323
Energy: 0.6465608057309082
Energy: 0.6040749912104945
Energy: 0.6011597728109318
Energy: 0.5616756213147281
Energy: 0.580468811031129
Energy: 0.595700720758846
Energy: 0.5894746132712361
Energy: 0.6458609784265605
Energy: 0.5780725539671621
Energy: 0.5844913483312195
Energy: 0.5909426041691296
Energy: 0.6009491564975799
Energy: 0.4363995914892495
Energy: 0.6839411682751189
Energy: 0.5881812854216527
Energy: 0.5935207053876144
Energy: 0.497738827608074
Energy: 0.5571295696719548
Energy: 0.692174259951718
Energy: 0.587260388151439
Energy: 0.5869614758323916
Energy: 0.4375368193279097
Energy: 0.45321311568849765
Energy: 0.6986194379050726
Energy: 0.4885761656188682
Energy: 0.5287027407609391
Energy: 0.5163576080527597
Energy: 0.5011142396684661
Energy: 0.69983909375508
Energy: 0.4866465036010625
Energy: 0.5259222711634899
Energy: 0.5117188499044566
Energy: 0.5065465130553859
Energy: 0.49746413502215664
Energy: 0.6861199276563056
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Energy: 0.4816997129076347
Energy: 0.5374293283829834
Energy: 0.48530272977475214
Energy: 0.6825053670986954
Energy: 0.4527663463540827
Energy: 0.48139054469219916
Energy: 0.641134159319726
Energy: 0.6013670021105152
Energy: 0.6179628660002121
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Energy: 0.4883550924814772
Energy: 0.6469371868317196
Energy: 0.6203616679538027
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Energy: 0.43641914841705187
Energy: 0.5921760480809282
Energy: 0.6472515985188788
Energy: 0.5925566782568834
Energy: 0.4858845911623832
Energy: 0.6702647407372894
Energy: 0.5926357545376643
Energy: 0.6467139398852799
Energy: 0.5662059848419044
Energy: 0.5655732498815702
Energy: 0.6707063364931913
Energy: 0.5717364948589188
Energy: 0.5762789166616653
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Energy: 0.4864045325219099
Energy: 0.605568236862715
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Energy: 0.6420436184566696
Energy: 0.4929174652963639
Energy: 0.6192891090662145
Energy: 0.567407282543889
Energy: 0.5746442321022868
Energy: 0.6973993110367561
Energy: 0.5693286108075113
Energy: 0.5849652794555432
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Energy: 0.5730203156832749
Energy: 0.714549380402086
Energy: 0.5701103800513861
Energy: 0.5739075089655203
Energy: 0.5755502725132899
Energy: 0.5731392732298348
Energy: 0.4691125674048043
Energy: 0.6926942591793165
Energy: 0.5752734151660486
Energy: 0.5757464621306478
Energy: 0.5728273435716684
Energy: 0.46939543343002244
Energy: 0.6935936611084421
Energy: 0.5773501536619481
Energy: 0.5192586305369313
Energy: 0.5368656028647609
Energy: 0.48691229224124455
Energy: 0.5183370428886858
Energy: 0.5959998307626226
Energy: 0.5179559414201688
Energy: 0.5376007624396765
Energy: 0.4858513116550551
Energy: 0.5519428931105806
Energy: 0.597859289693608
Energy: 0.6472910261068974
Energy: 0.5228029360837069
Energy: 0.524590752633774
Energy: 0.5187845576821051
Energy: 0.5485926432328805
Energy: 0.5609692542287147
Energy: 0.5102594697724522
Energy: 0.5377746217995144
Energy: 0.5266637695112522
Energy: 0.5985315746975273
Energy: 0.6788892150228683
Energy: 0.536745509257797
Energy: 0.5353405140923954
Energy: 0.5912534147668944
Energy: 0.5849592577796433
Energy: 0.6785194783327071
Energy: 0.4958450453854271
Energy: 0.6409128565336721
Energy: 0.6518090014553335
Energy: 0.5789754687300016
Energy: 0.6114848609624564
Energy: 0.5644529666084522
Energy: 0.6226616136326489
Energy: 0.6472291456222733
Energy: 0.5926374822464989
Energy: 0.5702098807441578
Energy: 0.6766937024232041
Energy: 0.5844592540937359
Energy: 0.6478419224457432
Energy: 0.5925923588472031
Energy: 0.5239437569663905
Energy: 0.6245931885269222
Energy: 0.559524052033416
Energy: 0.5878846944046439
Energy: 0.5798515476801646
Energy: 0.4924349207479457
Energy: 0.6195323591400724
Energy: 0.559136915772953
Energy: 0.5701920992231886
Energy: 0.6690749830653414
Energy: 0.6290108391375291
Energy: 0.5502995712861227
Energy: 0.5574177756648796
Energy: 0.5606240986697828
Energy: 0.5880086367432503
Energy: 0.6296566492851785
Energy: 0.5572643191750875
Energy: 0.5529970229401949
Energy: 0.5547882029031126
Energy: 0.6459913558265246

minimum gb energy = 0.4359028676277841 eV
minimum distance =  2.50518595374229 Angstroms
sigma value = 75


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

Energy: 0.903566587932959
Energy: 0.5779470711233741
Energy: 0.5133563691593651
Energy: 0.5664240095850519
Energy: 0.5500236467319004
Energy: 0.5698273000143894
Energy: 0.5490239018737946
Energy: 0.5200926348639912
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Energy: 0.5434533148380144
Energy: 0.5474377374582947
Energy: 0.5751257610824618
Energy: 0.590968840647368
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Energy: 0.5297381775574296
Energy: 0.5190777552603253
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Energy: 0.5909344323169636
Energy: 0.6449292656106069
Energy: 0.5567395592743164
Energy: 0.5218566869365391
Energy: 0.5448357524620088
Energy: 0.5417700259406494
Energy: 0.590816369607081
Energy: 0.5508173638889173
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Energy: 0.5197025986778923
Energy: 0.5451012957966845
Energy: 0.5051193427278379
Energy: 0.5667007125272031
Energy: 0.5309417840737953
Energy: 0.5966319309326497
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Energy: 0.5741542149820069
Energy: 0.5870053968529649
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Energy: 0.5934580196231833
Energy: 0.5028024815943783
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Energy: 0.5918818499806233
Energy: 0.5339769459755245
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Energy: 0.5873121441442882
Energy: 0.5368932249724218
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Energy: 0.6176202341765188
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Energy: 0.5644658640357976
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Energy: 0.5814038431917588
Energy: 0.5620623717670217
Energy: 0.5005157549162491
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Energy: 0.5874940819049389
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Energy: 0.5950461568660723
Energy: 0.5952382686914458
Energy: 0.5072295790892716
Energy: 0.5652153092322694
Energy: 0.5435708478553646
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Energy: 0.5282563525258573
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minimum gb energy = 0.4929031499389501 eV
minimum distance =  2.51441941242531 Angstroms
sigma value = 105


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

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Energy: 0.4909109022671618
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Energy: 0.4883518968077617
Energy: 0.5401350862675304
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Energy: 0.48813661327222707
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Energy: 0.527867862776173
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Energy: 0.5061333973094445
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Energy: 0.6942234667781265
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Energy: 0.5046848726922714
Energy: 0.5002563416893099
Energy: 0.4876362653052825
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Energy: 0.5132257465427913
Energy: 0.5006379301356736
Energy: 0.5031154488873002
Energy: 0.5359707427432394
Energy: 0.511604893974587
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Energy: 0.5004933462843846
Energy: 0.5031982873784563
Energy: 0.5354455026192012
Energy: 0.5114786159813725
Energy: 0.5151476513003109
Energy: 0.5200308461483969
Energy: 0.49453227046354176
Energy: 0.500898093830553
Energy: 0.5141773679144727
Energy: 0.5148524127925076
Energy: 0.5207237901522649
Energy: 0.4944236006249771
Energy: 0.5003184590808756
Energy: 0.5154026194433563
Energy: 0.5021734076631224
Energy: 0.5031657645935865
Energy: 0.5732922126386029
Energy: 0.5346479781091787
Energy: 0.6518956892710182
Energy: 0.5017869728967188
Energy: 0.5032863674696846
Energy: 0.5317095765058096
Energy: 0.5203084360525724
Energy: 0.5174493390494699
Energy: 0.5343668169621195
Energy: 0.5165949323301968
Energy: 0.502771356831083
Energy: 0.500911611021841
Energy: 0.5139731379291111
Energy: 0.5032794308962469
Energy: 0.4898693751260268
Energy: 0.5003664011880503
Energy: 0.5014294119810213
Energy: 0.6504005239531185
Energy: 0.5381147263749226
Energy: 0.49371886591812786
Energy: 0.5075820168832731
Energy: 0.5141176692879492
Energy: 0.49649919561923456
Energy: 0.5383601382604157
Energy: 0.494011814236962
Energy: 0.5108151634805516
Energy: 0.515408687812206
Energy: 0.5373733684258817
Energy: 0.5120069177854906
Energy: 0.5514489241192339
Energy: 0.5136302510227593
Energy: 0.5135646304617358
Energy: 0.5252790253950957
Energy: 0.5259144795478303
Energy: 0.5315442516608441
Energy: 0.5255679480348535
Energy: 0.5139290035143782
Energy: 0.5258538232170766
Energy: 0.49967043192262767
Energy: 0.5392395929616117
Energy: 0.5174190351457124
Energy: 0.48816214055684937
Energy: 0.5144232068901055
Energy: 0.5032824577919718
Energy: 0.5366007298884431
Energy: 0.5176128375443643
Energy: 0.5322197221093963
Energy: 0.514386480752383
Energy: 0.5172221036990561
Energy: 0.48860339055695584
Energy: 0.5110332502007239
Energy: 0.5111886780035284
Energy: 0.4908671899451604
Energy: 0.5134338262986329
Energy: 0.4885888229352419
Energy: 0.5109871835836188
Energy: 0.511435302107906
Energy: 0.5297139364599908

minimum gb energy = 0.4838865941963531 eV
minimum distance =  2.59236631606951 Angstroms
sigma value = 165


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

Energy: 0.6534106272054614
Energy: 0.5044898751095092
Energy: 0.47884270586585376
Energy: 0.4785742405921545
Energy: 0.45902470385242766
Energy: 0.6021878777398878
Energy: 0.47946294500288245
Energy: 0.4955995559696887
Energy: 0.49150584630002325
Energy: 0.47447496508608566
Energy: 0.531321397288518
Energy: 0.5388880609303532
Energy: 0.4799237195635226
Energy: 0.4786244050716109
Energy: 0.48804693839325985
Energy: 0.5132397391089067
Energy: 0.5387140392732599
Energy: 0.5170680601706977
Energy: 0.5020003765356653
Energy: 0.50197624076034
Energy: 0.5000127502184059
Energy: 0.5460398251754981
Energy: 0.552704881496832
Energy: 0.5021082570256843
Energy: 0.5080845378763063
Energy: 0.4720246853457834
Energy: 0.5106318129059813
Energy: 0.504075855186641
Energy: 0.5050593416109876
Energy: 0.5201284462252552
Energy: 0.47276946895135297
Energy: 0.5034515250714263
Energy: 0.544164026045755
Energy: 0.5427000980513051
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Energy: 0.5397446488360185
Energy: 0.5101175070667313
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Energy: 0.4859863037177384
Energy: 0.5012393283479115
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Energy: 0.4683488429549227
Energy: 0.501958109848081
Energy: 0.48587269707614134
Energy: 0.501617899169128
Energy: 0.503717572978796
Energy: 0.4905694739577231
Energy: 0.48739703370111037
Energy: 0.554144856583704
Energy: 0.4964276935647525
Energy: 0.4827699498789381
Energy: 0.5039170356252988
Energy: 0.48626004173128984
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Energy: 0.5018820348461777
Energy: 0.48264416990230136
Energy: 0.5219507792733986
Energy: 0.5385376055466928
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Energy: 0.5351440793565028
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Energy: 0.5721354875644459
Energy: 0.5740152807575009
Energy: 0.5292688321639595
Energy: 0.6954334036956143
Energy: 0.5030024101793976
Energy: 0.5059395972664568
Energy: 0.5046200494925184
Energy: 0.48992343064829263
Energy: 0.6874522391366064
Energy: 0.5042800094271283
Energy: 0.5193448219030703
Energy: 0.5036723536698091
Energy: 0.4577152133592655
Energy: 0.525909226341517
Energy: 0.5632408846217908
Energy: 0.5043084373267966
Energy: 0.505031469443483
Energy: 0.492658223984193
Energy: 0.47970636632954594
Energy: 0.5419769428040841
Energy: 0.49832454411396726
Energy: 0.5062309191668636
Energy: 0.5312079432485368
Energy: 0.4979552839485937
Energy: 0.5114370421607648
Energy: 0.5447134848872135
Energy: 0.5052538186337773
Energy: 0.5517461178269973
Energy: 0.5118988547118507
Energy: 0.5036478998066778
Energy: 0.5417486114573441
Energy: 0.5229149010901658
Energy: 0.5867858223325186
Energy: 0.5048322348052056
Energy: 0.5280323310756964
Energy: 0.5031267040075116
Energy: 0.49915185212262975
Energy: 0.49328568735057116
Energy: 0.5026610577753162
Energy: 0.4943930220581124
Energy: 0.5035139436021825
Energy: 0.5036527578886568
Energy: 0.4951957031165038
Energy: 0.5147725305397489
Energy: 0.48391055239605035
Energy: 0.48497618013982974
Energy: 0.5000187694309616
Energy: 0.514481417631926
Energy: 0.4746284739638221
Energy: 0.4853024637133179
Energy: 0.5028934594440959
Energy: 0.5021224512447221
Energy: 0.49877856810136806
Energy: 0.4998098812632491
Energy: 0.47415753229097013
Energy: 0.5138159610312789
Energy: 0.4814302049108169
Energy: 0.503051590556696
Energy: 0.4784805836617129
Energy: 0.47442671782915186
Energy: 0.5161836850736541
Energy: 0.4805064311562078
Energy: 0.5042136333600007
Energy: 0.6409366573165697
Energy: 0.5197564108902673
Energy: 0.5213172794995232
Energy: 0.518625264977066
Energy: 0.5204450559015797
Energy: 0.5973291075851417
Energy: 0.48865923457341565
Energy: 0.5001231535380766
Energy: 0.4964162592149244
Energy: 0.5397193071844868

minimum gb energy = 0.4577152133592655 eV
minimum distance =  2.57853373738424 Angstroms
sigma value = 41


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

Energy: 1.0049806835120205
Energy: 0.4638477872804178
Energy: 0.46279345445437925
Energy: 0.4245759995416905
Energy: 0.4519486798285667
Energy: 0.4102484589611686
Energy: 0.40899929313551014
Energy: 0.4620075865326311
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Energy: 0.4231881389656338
Energy: 0.45670526918938603
Energy: 0.4395298572618177
Energy: 0.42537570530999624
Energy: 0.42144220463673615
Energy: 0.4073766262673754
Energy: 0.40240461076348594
Energy: 0.4343420124839988
Energy: 0.4528914379599645
Energy: 0.4510993199767141
Energy: 0.44710853513255805
Energy: 0.43891788039696455
Energy: 0.47242363828385747
Energy: 0.47228935928618504
Energy: 0.44437989187294696
Energy: 0.4616384416190486
Energy: 0.4023665116235185
Energy: 0.4694205034456834
Energy: 0.4715796474158699
Energy: 0.4653963603816746
Energy: 0.49182099600091533
Energy: 0.4277669074289047
Energy: 0.4426112560078643
Energy: 0.4384574151497889
Energy: 0.43767235173040286
Energy: 0.4797408281266295
Energy: 0.4609414677106036
Energy: 0.44252215599864175
Energy: 0.43539804638978863
Energy: 0.4302479361174772
Energy: 0.48032011171228883
Energy: 0.46688176743947557
Energy: 0.4374095840435002
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Energy: 0.4412687148141209
Energy: 0.4490012488980717
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Energy: 0.4542602601768807
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Energy: 0.4672898685099246
Energy: 0.4329111049932291
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Energy: 0.4642239432885083
Energy: 0.44890894177991875
Energy: 0.4364248788993391
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Energy: 0.474850201482854
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Energy: 0.4094904385630711
Energy: 0.42258559351418795
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Energy: 0.46888205967414054
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Energy: 0.43359117445005385
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Energy: 0.4825005501578937
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Energy: 0.4356762823983563
Energy: 0.4170876290313314
Energy: 0.44369878015939157
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Energy: 0.429571661186977
Energy: 0.42118205112441237
Energy: 0.4702353259063134
Energy: 0.42803338263351426
Energy: 0.4424814620125702
Energy: 0.4406975222901978
Energy: 0.4343854692452194
Energy: 0.5030223217807133
Energy: 0.4370276584184818
Energy: 0.47406270521602273
Energy: 0.48362127293551854
Energy: 0.463291120323354
Energy: 0.4230586801687791
Energy: 0.4877429135036876
Energy: 0.4593050879997596
Energy: 0.4436799601733052
Energy: 0.4594398941756086
Energy: 0.42322220699591945
Energy: 0.47230641191231043
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Energy: 0.4632354501476225
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Energy: 0.43768767896989647
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Energy: 0.5182880296166473
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Energy: 0.470725418632251
Energy: 0.44133946838253696
Energy: 0.4496563575993681
Energy: 0.46839563296749875
Energy: 0.45304949711391884
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Energy: 0.44745381122974515
Energy: 0.45427560455593
Energy: 0.4647449133126971
Energy: 0.4253975752494451
Energy: 0.45796165820084567
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Energy: 0.45472774750340017
Energy: 0.4495186134204088
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Energy: 0.4528568051395009
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Energy: 0.47553248015841537
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Energy: 0.45743697338553213
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Energy: 0.47491609614322067
Energy: 0.5405849592349169
Energy: 0.5104088347848095
Energy: 0.44650672991237794
Energy: 0.4573821785632919
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Energy: 0.4734994064102072
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Energy: 0.45038484095991094
Energy: 0.4137909288731767
Energy: 0.43856853754809505
Energy: 0.43611181793099824
Energy: 0.4413348736088593
Energy: 0.5409258011856215
Energy: 0.4527311204658373
Energy: 0.4400154590646564
Energy: 0.4357212102866246
Energy: 0.4250642881596049
Energy: 0.4462022985501346
Energy: 0.4358178165591973
Energy: 0.4435243061104775
Energy: 0.46398938118735567
Energy: 0.4252520969723087
Energy: 0.432380553740313
Energy: 0.4367105135942171
Energy: 0.4438893073016926
Energy: 0.46286653755606993
Energy: 0.4555331392346812
Energy: 0.4665683573281573
Energy: 0.4604149844547328
Energy: 0.4153275781718102
Energy: 0.43870899507369515
Energy: 0.4085567167213032
Energy: 0.4085845620173359
Energy: 0.43618821959183074
Energy: 0.46021499809859134
Energy: 0.4595098128396339
Energy: 0.5815616527288658
Energy: 0.4451132669997695
Energy: 0.4858249869681674
Energy: 0.486994866285492
Energy: 0.406382630085844
Energy: 0.5085677876136069
Energy: 0.4072314867879481
Energy: 0.45726901176421814
Energy: 0.4624693333926831
Energy: 0.42333964301034305

minimum gb energy = 0.4023665116235185 eV
minimum distance =  2.61756906057643 Angstroms
sigma value = 185


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

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Energy: 0.30970285874312176
Energy: 0.3083974549235804
Energy: 0.2964589741925661
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Energy: 0.16440708625397482
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Energy: 0.30949747924192195
Energy: 0.3228755354963991
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Energy: 0.1699505664473559
Energy: 0.3106519510267221
Energy: 0.33474489850652783
Energy: 0.2997410422939
Energy: 0.18723948642742613
Energy: 0.18894314148706448
Energy: 0.29339953174872885
Energy: 0.32426716968338193
Energy: 0.2586576259183517
Energy: 0.16497610440638658
Energy: 0.16467130045730663
Energy: 0.2929332060027095
Energy: 0.31704314908995834
Energy: 0.2880852324295936
Energy: 0.2810729130391997
Energy: 0.3067315029663452
Energy: 0.2818242452859021
Energy: 0.330045261941604
Energy: 0.3121037929814858
Energy: 0.29413277735710763
Energy: 0.2749987503575796
Energy: 0.312297172329948
Energy: 0.33124429944110245
Energy: 0.2814986059462969
Energy: 0.25161152368083084
Energy: 0.26891708044155344
Energy: 0.31755205244040796
Energy: 0.3189790705001966
Energy: 0.26875349089769107
Energy: 0.21454711849338848
Energy: 0.28235452297273567
Energy: 0.3047227110138032
Energy: 0.3346851508433783
Energy: 0.25066133031070464

minimum gb energy = 0.16430159377375667 eV
minimum distance =  2.66836854700117 Angstroms
sigma value = 33


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

Energy: 0.5554080265672093
Energy: 0.38346659160023744
Energy: 0.42155405390360406
Energy: 0.38808317503432244
Energy: 0.377987230792615
Energy: 0.37579310765078455
Energy: 0.3818205895309697
Energy: 0.3861026813978526
Energy: 0.39078987447656804
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Energy: 0.40070364921107865
Energy: 0.3793662423576072
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Energy: 0.38575515234505425
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Energy: 0.390974890018275
Energy: 0.398891064613122
Energy: 0.40805441104522056
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Energy: 0.4181435573661373
Energy: 0.3810692832096609
Energy: 0.38570475640097585
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Energy: 0.3807535922525408
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Energy: 0.403361864021705
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Energy: 0.4168260439729981
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Energy: 0.3815765489539974
Energy: 0.39167149936944984
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Energy: 0.41900385003576435
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Energy: 0.4191744931221902
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Energy: 0.4005641412448483
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Energy: 0.398362679820579
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Energy: 0.4080951572957253
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Energy: 0.39749479030282653
Energy: 0.38652323113328146
Energy: 0.38695017930584774
Energy: 0.40758438156942606
Energy: 0.39709998122995993
Energy: 0.396672935069559
Energy: 0.38647637449914424
Energy: 0.4500339551872338
Energy: 0.4058332358695981
Energy: 0.4034064561586993
Energy: 0.38662541831909836
Energy: 0.3919198267107221
Energy: 0.39836953628265526
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Energy: 0.41349732973213116
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Energy: 0.41783068140446544
Energy: 0.4100064365003296
Energy: 0.3940498299937892

minimum gb energy = 0.37329948888967074 eV
minimum distance =  2.59498965116863 Angstroms
sigma value = 219


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

Energy: 0.740890638079772
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Energy: 0.4811364667677552
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Energy: 0.47584425883456044
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Energy: 0.6275334960522662
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Energy: 0.4762615706239236
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Energy: 0.48129232294978536
Energy: 0.4864093713087734
Energy: 0.4898824530131877
Energy: 0.48317599167057856
Energy: 0.48009271234459755
Energy: 0.47655529566048255
Energy: 0.4866972510270858
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Energy: 0.482434130949891
Energy: 0.48159107477415414
Energy: 0.46530553845212624
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Energy: 0.48164565687516797
Energy: 0.47964896382157557
Energy: 0.4653527156487183
Energy: 0.476522503567508
Energy: 0.48105047450005123
Energy: 0.4833314777969332
Energy: 0.47938258426252056

minimum gb energy = 0.4423331620736378 eV
minimum distance =  2.61559399956309 Angstroms
sigma value = 15


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

Energy: 0.7092244968511271
Energy: 0.5757212464265045
Energy: 0.5533236548606171
Energy: 0.5319830089881288
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Energy: 0.5444959601201246
Energy: 0.5284842126284567
Energy: 0.5828612480366036
Energy: 0.5595289475396102
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minimum gb energy = 0.5190861826115548 eV
minimum distance =  2.57014477177772 Angstroms
sigma value = 293


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

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Energy: 0.5469399576534889
Energy: 0.5332393555298249
Energy: 0.5400974788130692
Energy: 0.6070715078389068
Energy: 0.5385284240562701
Energy: 0.5409877344704718
Energy: 0.5610908535169904
Energy: 0.5412471096588463
Energy: 0.6035020839568864
Energy: 0.5540695999657632
Energy: 0.5601862039862298
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Energy: 0.6216968208516499
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Energy: 0.5409919634475878
Energy: 0.5570710274835646
Energy: 0.5555894694688962
Energy: 0.5852061094009238
Energy: 0.6146849099031239
Energy: 0.5271205226651694
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Energy: 0.5316363808885732
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Energy: 0.5857335491900357
Energy: 0.6180549432234375
Energy: 0.5311341458710266
Energy: 0.5658756925272916
Energy: 0.6706989326901031
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Energy: 0.5240832450146481
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Energy: 0.521001650323917
Energy: 0.6700523258871658
Energy: 0.5529851883688854
Energy: 0.5241273928714211
Energy: 0.5353154538599627
Energy: 0.533568330511498
Energy: 0.5796283993578243
Energy: 0.5386906518351778
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Energy: 0.5291533772427613
Energy: 0.5576926097382753
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Energy: 0.5249746363220977
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Energy: 0.5581462143996968
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Energy: 0.5250367360309155
Energy: 0.5268629769174151
Energy: 0.5508651056699172
Energy: 0.6787257361133195
Energy: 0.5431313282026431
Energy: 0.5239298700515626
Energy: 0.5606017782550559
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Energy: 0.6618058250875755
Energy: 0.5433436087925319
Energy: 0.5238690000402176
Energy: 0.5451388745275547
Energy: 0.578881656954955
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Energy: 0.5933143480682929
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Energy: 0.571440210784438
Energy: 0.6154751623550254
Energy: 0.5917140526450212
Energy: 0.6074194188480786
Energy: 0.5477911718239931
Energy: 0.5758547317650508
Energy: 0.6223530983909936
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Energy: 0.5823916102076716
Energy: 0.5868705279230363
Energy: 0.587343015233386
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Energy: 0.5276523764469786
Energy: 0.5588528687364865
Energy: 0.621887647820602
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Energy: 0.5388326893125944
Energy: 0.6747747767806134
Energy: 0.5030870504090745
Energy: 0.5282507949600225
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Energy: 0.5369190833142516
Energy: 0.6718809139872316
Energy: 0.503199132747587
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Energy: 0.5375701332999354
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Energy: 0.5322034418842913
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Energy: 0.5303102724963353
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Energy: 0.5499913629251569
Energy: 0.5406211034323067
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Energy: 0.5265683091032709
Energy: 0.6128186958969833
Energy: 0.5592644039991983
Energy: 0.5521188966270997
Energy: 0.5469777114629585
Energy: 0.5824596497512401
Energy: 0.6118963877255018
Energy: 0.552480510106559
Energy: 0.5419862798999233
Energy: 0.5749415499328286
Energy: 0.5628202920519119
Energy: 0.5673074864567806
Energy: 0.5622979669507119
Energy: 0.6156634424393922
Energy: 0.563721363465398
Energy: 0.6043301667937309
Energy: 0.5613293103804162
Energy: 0.5682137055224729
Energy: 0.6847013812616234
Energy: 0.525015281051263
Energy: 0.5271211591688925
Energy: 0.5580396484090093
Energy: 0.5584820357361333
Energy: 0.6128515609457481
Energy: 0.5233322114500026
Energy: 0.525938486784847
Energy: 0.5571561192721783
Energy: 0.5637898996528049
Energy: 0.5098884648541947
Energy: 0.5234399765605838
Energy: 0.5248336767644497
Energy: 0.5296312709433669
Energy: 0.590276875164644
Energy: 0.5897806284558311
Energy: 0.5227588515613759
Energy: 0.5257361155299657
Energy: 0.5306210987092321
Energy: 0.5896394312200347
Energy: 0.5371902223490712
Energy: 0.5264147318879309
Energy: 0.5557028419800508
Energy: 0.5407767876124172
Energy: 0.667712926497894
Energy: 0.5402313926422025
Energy: 0.5244288785434768
Energy: 0.5550754123165069
Energy: 0.529449977155146
Energy: 0.6788256451386792
Energy: 0.5428979070765734
Energy: 0.5355947863177797
Energy: 0.5450196884360035
Energy: 0.5830616542505069
Energy: 0.5475926312892498
Energy: 0.6002709666165905
Energy: 0.5397436688231074
Energy: 0.5475540416977989
Energy: 0.5713777986396767
Energy: 0.5480406698109057
Energy: 0.6069413985481322
Energy: 0.5468542165824503
Energy: 0.5528949657192771
Energy: 0.5681503796731365
Energy: 0.6199614139208656
Energy: 0.5903688326401318
Energy: 0.5299650470491938
Energy: 0.5571878989791351
Energy: 0.5626711733531705
Energy: 0.5809380328239414
Energy: 0.6197201283046718
Energy: 0.6022516279267377
Energy: 0.5570313525325368
Energy: 0.6156113769217993
Energy: 0.5848171156545137
Energy: 0.5621881589986538
Energy: 0.6705563435658378
Energy: 0.555310100843958
Energy: 0.6093324818765369
Energy: 0.5795916179439065
Energy: 0.5497806586667278

minimum gb energy = 0.5030870504090745 eV
minimum distance =  2.57309603210581 Angstroms
sigma value = 293


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

Energy: 0.5014437389557412
Energy: 0.569731990292772
Energy: 0.5610551672328371
Energy: 0.5914365526563391
Energy: 0.5500101234717027
Energy: 0.502129861180305
Energy: 0.569642104082404
Energy: 0.5621998732266037
Energy: 0.5915464451477904
Energy: 0.5058805237910493
Energy: 0.5876695878137759
Energy: 0.5480912396438702
Energy: 0.5486454943805797
Energy: 0.591571940444061
Energy: 0.5909395824519157
Energy: 0.5885320954047906
Energy: 0.5478130588289527
Energy: 0.5515675683456144
Energy: 0.5924899886659988
Energy: 0.5909802376705194
Energy: 0.5912024242131629
Energy: 0.5488862140794816
Energy: 0.5470871221314293
Energy: 0.5613278532711005
Energy: 0.5434032269723118
Energy: 0.5924651152321324
Energy: 0.5481276398001358
Energy: 0.5473577023697163
Energy: 0.562073080535741
Energy: 0.5869345255116659
Energy: 0.5876102977490915
Energy: 0.5031581248088782
Energy: 0.5031894666437046
Energy: 0.5916003372596528
Energy: 0.5633125463770922
Energy: 0.58750031041957
Energy: 0.502550375639978
Energy: 0.5033438216006425
Energy: 0.5923053065241477
Energy: 0.543410676624971
Energy: 0.591414921601026
Energy: 0.5510581774849894
Energy: 0.5023156052585971
Energy: 0.5619312523928903
Energy: 0.5468955320784632
Energy: 0.5912153378825368
Energy: 0.5057299186133234
Energy: 0.5025079013099869
Energy: 0.5131772718839235
Energy: 0.5473090174562527
Energy: 0.5912881062231876
Energy: 0.5619393055883095
Energy: 0.5691777945850481
Energy: 0.5490594616730705
Energy: 0.5853386009683393
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Energy: 0.560825866448288
Energy: 0.5690460027375084
Energy: 0.5477158145822892
Energy: 0.585003622429092
Energy: 0.5887504570837769
Energy: 0.5065136192547244
Energy: 0.5927221324738091
Energy: 0.5484449258239152
Energy: 0.5133607635171512
Energy: 0.5882528634221292
Energy: 0.5052705262151888
Energy: 0.5925623422992149
Energy: 0.5482450820014719
Energy: 0.5143601203117437
Energy: 0.5915544883295113
Energy: 0.5871819393730726
Energy: 0.5611920059109142
Energy: 0.5019691943527008
Energy: 0.5520279199834324
Energy: 0.5914362982734436
Energy: 0.5886022082280138
Energy: 0.5623519718593917
Energy: 0.5017755860856824
Energy: 0.5840165320577834
Energy: 0.5479269549870643
Energy: 0.5525915210025969
Energy: 0.5914205316774268
Energy: 0.5032022689663315
Energy: 0.588504018049777
Energy: 0.5483718711976513
Energy: 0.5922234501000014
Energy: 0.591411924906544
Energy: 0.5030942563928142
Energy: 0.5888001462260923
Energy: 0.5481747555228381
Energy: 0.5138150354924225
Energy: 0.5887247506001941
Energy: 0.5698910912597339
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Energy: 0.5485368987988335
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Energy: 0.5881022371005495
Energy: 0.5699682796464922
Energy: 0.5480415023817605
Energy: 0.5028893757051109
Energy: 0.5914162342334699
Energy: 0.5916597110431777
Energy: 0.5925464157728776
Energy: 0.5696410364026889
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Energy: 0.5916774898409686
Energy: 0.5453330720647898
Energy: 0.5703687368018003
Energy: 0.5696240783453775
Energy: 0.5015729729665906
Energy: 0.5693821776506074
Energy: 0.5618605457221381
Energy: 0.5910698223639769
Energy: 0.5501873707669509
Energy: 0.502214216069569
Energy: 0.5697127249127609
Energy: 0.5621082465931839
Energy: 0.5916011878984814
Energy: 0.5515248331075215
Energy: 0.5875647869956758
Energy: 0.5481043619956751
Energy: 0.5484131315053485
Energy: 0.5917518603442439
Energy: 0.5909795890276457
Energy: 0.5878773148072001
Energy: 0.5476030445573425
Energy: 0.5511858115887582
Energy: 0.5926224064330508
Energy: 0.5910648480376655
Energy: 0.5911569717442792
Energy: 0.5490026231688622
Energy: 0.5470471153347188
Energy: 0.5618897717651576
Energy: 0.5425854898517531
Energy: 0.5925589121345507
Energy: 0.5487838431920254
Energy: 0.5473400970739463
Energy: 0.562493366355875
Energy: 0.5869410877772824
Energy: 0.5608303230865044
Energy: 0.5029910930946451
Energy: 0.5030631736645087
Energy: 0.5913888482105406
Energy: 0.5613373741534933
Energy: 0.5882105825046676
Energy: 0.5026885261430732
Energy: 0.5031116613394957
Energy: 0.5921507908702366
Energy: 0.544629220774564
Energy: 0.5915822597523585
Energy: 0.551396252074382
Energy: 0.5023047871658106
Energy: 0.5625812270785411
Energy: 0.5469040008437187
Energy: 0.5929953820207648
Energy: 0.5500209603796301
Energy: 0.5026938774562352
Energy: 0.5125981268209965
Energy: 0.5473346857332564
Energy: 0.5912615586667194
Energy: 0.5616985087816728
Energy: 0.5695746833010444
Energy: 0.5488051556502541
Energy: 0.5841380206786899
Energy: 0.591523097782271
Energy: 0.5888086243730775
Energy: 0.5690944523238641
Energy: 0.5475969084322063
Energy: 0.584078559710065
Energy: 0.5698618858913426
Energy: 0.545285483872104
Energy: 0.5911627953406781
Energy: 0.5485989073866033
Energy: 0.5621568690113686
Energy: 0.5700743930828494
Energy: 0.5055227760143176
Energy: 0.591324894106594
Energy: 0.5483084217390517
Energy: 0.5629162536061598
Energy: 0.5914252740580835
Energy: 0.5871188384645345
Energy: 0.5878623356365011
Energy: 0.5021219455999028
Energy: 0.5516680309016557
Energy: 0.5715663506214983
Energy: 0.588159412632233
Energy: 0.5620007102493311
Energy: 0.501839217048366
Energy: 0.584715864531293
Energy: 0.5478088415305375
Energy: 0.5840885148289285
Energy: 0.5918351383631967
Energy: 0.5033608759809254
Energy: 0.5888378847734378
Energy: 0.5484067152237658
Energy: 0.5918377919229052
Energy: 0.5917666861538625
Energy: 0.5031811038499687
Energy: 0.5471584920181789
Energy: 0.5488580923738238
Energy: 0.5135111069593524
Energy: 0.5883101462718583
Energy: 0.5698930651296972
Energy: 0.5919214451788093
Energy: 0.549029130483476
Energy: 0.5141151727233884
Energy: 0.6249330948911211
Energy: 0.5702400005943785
Energy: 0.5925584396045089
Energy: 0.5030383878442115
Energy: 0.5915909090045981
Energy: 0.5915156345425489
Energy: 0.5887806436569867
Energy: 0.569639053083654
Energy: 0.503096495135864
Energy: 0.5911819296665358
Energy: 0.5456479793963267
Energy: 0.5701328320070667
Energy: 0.5700048238028342

minimum gb energy = 0.5014437389557412 eV
minimum distance =  2.61234299161214 Angstroms
sigma value = 15


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

Energy: 0.5527092801908762
Energy: 0.6024909222104287
Energy: 0.5924818635873276
Energy: 0.5842693611130813
Energy: 0.5379194645730995
Energy: 0.5281235004861996
Energy: 0.5673962371564621
Energy: 0.564694506903842
Energy: 0.5794255445532661
Energy: 0.5622684862015168
Energy: 0.5360094500830266
Energy: 0.5726482628408629
Energy: 0.5460070182265919
Energy: 0.5515184284114356
Energy: 0.5680640140338074
Energy: 0.6244228667876747
Energy: 0.576984931365767
Energy: 0.5448226838760744
Energy: 0.6019024378230695
Energy: 0.5670802704990378
Energy: 0.598131831807529
Energy: 0.5645221019433019
Energy: 0.5667747371847016
Energy: 0.5658452557120404
Energy: 0.6001200745058586
Energy: 0.5932956146326073
Energy: 0.6010009005616574
Energy: 0.6017982212563614
Energy: 0.5552500320489706
Energy: 0.590933194904628
Energy: 0.5914604718293855
Energy: 0.5570683587364694
Energy: 0.5901268851001997
Energy: 0.64237896692312
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Energy: 0.5965618483216744
Energy: 0.5572673674384815
Energy: 0.5874983966214656
Energy: 0.5953056225860265
Energy: 0.5905707740545447
Energy: 0.6306657678790855
Energy: 0.5850176985355444
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Energy: 0.6146629079696738
Energy: 0.6210655158891145
Energy: 0.5995841310263917
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Energy: 0.6370628785266623
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Energy: 0.6222274863143578
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Energy: 0.5311059648137865
Energy: 0.53003648329333
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Energy: 0.6331480203350838
Energy: 0.5919351317221077
Energy: 0.5363173706362333
Energy: 0.5292975775016413
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Energy: 0.5350116759726344
Energy: 0.6380947450157959
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Energy: 0.6172499429103265
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Energy: 0.5899954955554108
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Energy: 0.5330969223355928
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Energy: 0.5332642103760138
Energy: 0.5789130751288879
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Energy: 0.5333222193097625
Energy: 0.5700491339213439
Energy: 0.6078053556368236
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Energy: 0.5316848650186555
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Energy: 0.6130723463116324
Energy: 0.5440823535052224
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Energy: 0.5317480494242094
Energy: 0.601308923589664
Energy: 0.5812535112028951
Energy: 0.5328755940292496
Energy: 0.5151028876209383
Energy: 0.5813729217870246
Energy: 0.6019844013004939
Energy: 0.5859994107737406
Energy: 0.5339025492896733
Energy: 0.5700213073613142
Energy: 0.579876060862807
Energy: 0.5771702800478673
Energy: 0.6178358981489775
Energy: 0.5294254818633339
Energy: 0.5371892103169835
Energy: 0.583452533676924
Energy: 0.5784035498149362
Energy: 0.6172223718174437
Energy: 0.5286713838231428
Energy: 0.5381192444194933
Energy: 0.5848298867399515
Energy: 0.5428095569632747
Energy: 0.5754882335902997
Energy: 0.5693883838638055
Energy: 0.602263377323139
Energy: 0.5742184099375004
Energy: 0.5436284597299981
Energy: 0.5780385784551278
Energy: 0.5861172941718373
Energy: 0.5791096301110501
Energy: 0.5705224314997784
Energy: 0.5320934553703653
Energy: 0.5636498503283129
Energy: 0.5994150176871778
Energy: 0.6141967315999303
Energy: 0.5822270952260568
Energy: 0.5313320572465754
Energy: 0.5696718172412789
Energy: 0.5996620009195455
Energy: 0.6188613321426869
Energy: 0.5867554100124402
Energy: 0.6328312450674543
Energy: 0.5998338273827138
Energy: 0.5976343965929665
Energy: 0.5985592673356313
Energy: 0.5825651301326444
Energy: 0.6337783890292329
Energy: 0.5987023002487487
Energy: 0.5975152421194919
Energy: 0.6052675410293834
Energy: 0.5269014422517801
Energy: 0.5849258389011107
Energy: 0.5700010280931334
Energy: 0.6323202966074417
Energy: 0.6313354710650144
Energy: 0.6025625723727819
Energy: 0.5820220925361127
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Energy: 0.6228458510398855
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Energy: 0.5770598804049463
Energy: 0.6394196173051377
Energy: 0.6558369808236789
Energy: 0.633206243143109
Energy: 0.5924035355841681
Energy: 0.5367371091096551
Energy: 0.61437471194223
Energy: 0.6558929779091767
Energy: 0.6332441185171293
Energy: 0.5310681309653715
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Energy: 0.5362541959664417
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Energy: 0.5504427260625924
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Energy: 0.532848930830156
Energy: 0.5341688245068447
Energy: 0.5806085324027594
Energy: 0.6119621178903333
Energy: 0.5446014352080896
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Energy: 0.6024809672824083
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Energy: 0.5430765960303373
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Energy: 0.6013272996775458
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Energy: 0.5318123034449633
Energy: 0.582470188658722
Energy: 0.6017604081879181
Energy: 0.5821109427768896
Energy: 0.5357105655180406
Energy: 0.5143830757666376
Energy: 0.5828435522960854
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Energy: 0.561656942937291
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Energy: 0.5417798896087074
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Energy: 0.5365063600206238
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Energy: 0.5583286597602205
Energy: 0.5633044569958005
Energy: 0.5969073542411768
Energy: 0.6213979480664324
Energy: 0.5862015030216076
Energy: 0.5612547307096446
Energy: 0.5636131174096416
Energy: 0.5965172027979361
Energy: 0.6140474522698093
Energy: 0.5815161120123874
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Energy: 0.5990695960086506
Energy: 0.5990887588688302
Energy: 0.602357216298184
Energy: 0.551758844728945
Energy: 0.6328481390793007
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Energy: 0.5979377288893375
Energy: 0.571647271883479
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Energy: 0.5853227946485541
Energy: 0.6246850257473894
Energy: 0.6171098740733997
Energy: 0.6282528097333911
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Energy: 0.6336132090369783
Energy: 0.6589936246528659
Energy: 0.6293289826657701
Energy: 0.5370541677399099
Energy: 0.6124208769769659
Energy: 0.6335285805749076
Energy: 0.6554488194584378
Energy: 0.6297851419911357
Energy: 0.5386177629549929
Energy: 0.5370837495589647
Energy: 0.6285885561799777
Energy: 0.530682138351362
Energy: 0.5366794815928201
Energy: 0.5398148279155547
Energy: 0.5371808015510202
Energy: 0.6288854259396797
Energy: 0.5339303668712987
Energy: 0.5360431982493303
Energy: 0.5386547796042827
Energy: 0.533580725321777
Energy: 0.6080028510718019
Energy: 0.6187164351854709
Energy: 0.5336733741030557
Energy: 0.529516130305815
Energy: 0.5502463753513739
Energy: 0.585532685404675
Energy: 0.5578480423031229
Energy: 0.5299945969238569
Energy: 0.5293669737555565
Energy: 0.6081105168740101
Energy: 0.5795528188175216
Energy: 0.5314581066627573
Energy: 0.5334464457425371
Energy: 0.5671751375058671
Energy: 0.5981820769403089
Energy: 0.5749894126194999
Energy: 0.5246769926380385
Energy: 0.5401525909153028
Energy: 0.583753397252498
Energy: 0.5249558137476279
Energy: 0.5262630962658068
Energy: 0.6151828341315005
Energy: 0.6558777369608517
Energy: 0.5730455435149568
Energy: 0.5325220447843284
Energy: 0.5300168379141773
Energy: 0.5864879457632024
Energy: 0.6569808850204392
Energy: 0.5953844952476587
Energy: 0.5387525305386462
Energy: 0.5336489972849818
Energy: 0.525542334749524
Energy: 0.6340060766662913
Energy: 0.5295150628143501
Energy: 0.5373950730166926
Energy: 0.5408499848894974
Energy: 0.5297731310524575
Energy: 0.5680114094735009
Energy: 0.5304432611049263
Energy: 0.54309073692733
Energy: 0.5339366946102146
Energy: 0.6066138372333455
Energy: 0.601318904244914
Energy: 0.593887777140475
Energy: 0.5392665822587155
Energy: 0.603476788974166
Energy: 0.6056031575656835
Energy: 0.5674091487070091
Energy: 0.6027534235003226
Energy: 0.5475210832431506
Energy: 0.6309677214044271
Energy: 0.6045316920134524
Energy: 0.5439499439893516
Energy: 0.544140914101562
Energy: 0.5285507647617762
Energy: 0.5659692446439321
Energy: 0.5678851678150416
Energy: 0.5761976044052907
Energy: 0.5604684051151905

minimum gb energy = 0.5143830757666376 eV
minimum distance =  2.5588752553601 Angstroms
sigma value = 437


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

Energy: 0.7087027496056356
Energy: 0.5649018455390611
Energy: 0.5778355778526142
Energy: 0.5602729928837346
Energy: 0.5117485782825152
Energy: 0.7083943053754181
Energy: 0.5560267403361748
Energy: 0.5485488761493922
Energy: 0.5603771615667448
Energy: 0.5945516390651855
Energy: 0.5633848654550783
Energy: 0.6185413565630944
Energy: 0.592018790494772
Energy: 0.5957556820746931
Energy: 0.6216075727675334
Energy: 0.5636617126904433
Energy: 0.618715966684667
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Energy: 0.6221868638065718
Energy: 0.5911090462095456
Energy: 0.5651441898205246
Energy: 0.5822522916200592
Energy: 0.5607039110975893
Energy: 0.5260333719862463
Energy: 0.556010153647766
Energy: 0.5654158355548388
Energy: 0.6291414430407893
Energy: 0.5605464377080198
Energy: 0.5268536266618237
Energy: 0.5558986389211938
Energy: 0.5234402363670004
Energy: 0.5327056675589416
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Energy: 0.5830968727434466
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Energy: 0.5259456479729894
Energy: 0.5238162937063933
Energy: 0.5543700036008828
Energy: 0.6010222148987628
Energy: 0.5515492619883964
Energy: 0.5845886915514801
Energy: 0.6170404095910141
Energy: 0.5230001377664395
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Energy: 0.6185176962383391
Energy: 0.5230127201958982
Energy: 0.5541731743588049
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Energy: 0.5926920830750642
Energy: 0.6497356226515278
Energy: 0.5653146302121681
Energy: 0.5571036644930331
Energy: 0.5569873120729073
Energy: 0.598190094947677
Energy: 0.6183502860120235
Energy: 0.5638079025034974
Energy: 0.5565888775440314
Energy: 0.5573432099546971
Energy: 0.602063382951145
Energy: 0.6186275003288778
Energy: 0.576849106813824
Energy: 0.5598275857894056
Energy: 0.5226119926430848
Energy: 0.6226167116089047
Energy: 0.6230469630734966
Energy: 0.5767089047606644
Energy: 0.5578788567868722
Energy: 0.5239523455891829
Energy: 0.6233143060491378
Energy: 0.6238390531554118
Energy: 0.5304375142681399
Energy: 0.6242584756615012
Energy: 0.6141310610673315
Energy: 0.5602649159746422
Energy: 0.5252856165274127
Energy: 0.5312415666025205
Energy: 0.6235395755714984
Energy: 0.6207632342990931
Energy: 0.5601419526424154
Energy: 0.5234878845243844
Energy: 0.6116204156760985
Energy: 0.6440541959999273
Energy: 0.5244757106275536
Energy: 0.5134422553347929
Energy: 0.6185529580643879
Energy: 0.5966256648386123
Energy: 0.5236543474271071
Energy: 0.525404739869937
Energy: 0.6785916713811356
Energy: 0.6183626035870107
Energy: 0.511810317213477
Energy: 0.5193520000270985
Energy: 0.6102367129499099
Energy: 0.6502747223191647
Energy: 0.5128151705000866
Energy: 0.5119691552501379
Energy: 0.519209108924032
Energy: 0.6099874568898203
Energy: 0.6519919974515832
Energy: 0.5251274074202521
Energy: 0.5193846627611604
Energy: 0.5191730130577572
Energy: 0.522581302189671
Energy: 0.5538863224890133
Energy: 0.5235759685835977
Energy: 0.519430117661244
Energy: 0.5233588010324064
Energy: 0.5223859448471142
Energy: 0.6106187918745526
Energy: 0.5242597293885802
Energy: 0.5123824513583428
Energy: 0.5228988310448084
Energy: 0.6211585268938089
Energy: 0.6218020526157046
Energy: 0.6107862484853791
Energy: 0.5122355296445161
Energy: 0.5218528933600383
Energy: 0.6218173316566169
Energy: 0.6213502804913561
Energy: 0.6102204024210172
Energy: 0.5992449679738113
Energy: 0.6113579684047901
Energy: 0.5538492167409076
Energy: 0.5230016979032707
Energy: 0.5176101929853953
Energy: 0.5980937291781412
Energy: 0.5573510205971647
Energy: 0.5838006676727375
Energy: 0.5194755362829458
Energy: 0.5683505302446002

minimum gb energy = 0.5117485782825152 eV
minimum distance =  2.55598884639163 Angstroms
sigma value = 33