Model name: model_name=EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Fe__MO_681088298208_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.628442171216013
cohesive_energy=4.196040163280591
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.016092470556318482
Energy: 1.3734802793669687
Energy: 0.016092470556318482
Energy: 1.3734802793669687
Energy: 0.016092470556629768
Energy: 1.3734802793672454
Energy: 1.3734802793672454
Energy: -0.10455541815788351
Energy: 1.3734802793669687
Energy: 0.6197222105709719
Energy: 1.3734802793672454
Energy: 1.0577525417625708
Energy: 0.016092470556318482
Energy: 1.3734802793669687
Energy: 0.016092470556318482
Energy: 1.3734802793669687
Energy: 0.016092470556629768
Energy: 1.3734802793672454
Energy: 1.3734802793669687
Energy: 0.6197222105712832
Energy: 1.3734802793669687
Energy: 0.9412381169218322
Energy: 1.3734802793669687
Energy: 1.0577525417625708
Energy: 0.016092470556629768
Energy: 1.3734802793672454
Energy: 0.016092470556629768
Energy: 1.3734802793669687
Energy: 0.016092470556629768
Energy: 1.3734802793672454
Energy: 1.3734802793672454
Energy: 1.0577525417628821
Energy: 1.3734802793672454
Energy: 1.0577525417622595
Energy: 1.3734802793672454
Energy: 1.0577525417622595

minimum gb energy = -0.10455541815788351 eV
minimum distance =  2.4556434328685 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 1.0682402484415991
Energy: 0.8902915743557965
Energy: 1.0682402484415991
Energy: 0.8902915742082504
Energy: 1.0682402484401006
Energy: 0.8902915739558691
Energy: -4.086685422916999
Energy: 0.7415007718712034
Energy: -3.5001299076324894
Energy: 0.74150077187495
Energy: -3.596641329640257
Energy: 0.7415007718704542
Energy: 1.0208365589504707
Energy: -4.457632690255018
Energy: 1.0208365589504707
Energy: -4.8935959565277445
Energy: 1.0208365589534678
Energy: -3.9513814915135033
Energy: 1.1024299071362365
Energy: 0.8795816817784428
Energy: 1.1024299071377348
Energy: 0.879581681779192
Energy: 1.1024299071317407
Energy: 0.879581681779192
Energy: 0.9442431365865068
Energy: 1.0697708037598752
Energy: 0.9442431365850084
Energy: -3.2174160560743705
Energy: 0.9442431365805125
Energy: -2.1523835936313622
Energy: 1.0525708925005013
Energy: 0.8602126952479074
Energy: 1.0525708924982533
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Energy: 1.0525708924960056
Energy: 0.8602126952479074
Energy: 0.8596086033658343
Energy: -1.0420094055263263
Energy: -1.0183831658348776
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Energy: -3.36554900548298
Energy: -1.0421773941844905
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Energy: 0.860670424293546
Energy: -1.7644030821471217
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Energy: -2.046300923017049
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Energy: 1.1019628486310142
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Energy: 1.1019628486377582
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Energy: 0.7305025938757873
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Energy: 0.7305024462627867
Energy: -1.2040605696077669
Energy: 0.7305019532384446
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Energy: 0.8544581456157083
Energy: 0.952407992027837
Energy: 0.8544581456157083
Energy: 0.6970317628504227
Energy: -3.781022681495889
Energy: 0.6970317628496733
Energy: -4.0224781988589555
Energy: 0.6970317628504227
Energy: -4.05947134111665
Energy: 1.1795614254250537
Energy: 0.672525102543503
Energy: 1.1795614254280509
Energy: 0.6725251025442524
Energy: 1.1795614254235551
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Energy: 0.8766715338242018
Energy: 0.9704787059034663
Energy: 0.8766715338257003
Energy: 0.9704778534528848
Energy: 0.876671533824951
Energy: 0.9704758749404657
Energy: 1.2045387027901804
Energy: 0.7692214399970206
Energy: -4.048434505666357
Energy: 0.7692214400007671
Energy: -5.117513974522569
Energy: 0.7692214400000177
Energy: 1.2253825081385525
Energy: 1.010895920657658
Energy: 1.2253825081400511
Energy: 1.010895919359716
Energy: 1.2253825081385525
Energy: 1.0108959166596099
Energy: 1.0191328075678272
Energy: 0.9746348487481515
Energy: -2.8718626635525117
Energy: 0.974634848746653
Energy: -0.7753682564459549
Energy: 0.9746348487459036
Energy: 1.0189681218754416
Energy: -1.8912171163586908
Energy: -0.7784583345350194
Energy: -2.4206351558608783
Energy: -0.7786870394270903
Energy: -1.1923442212028514
Energy: 0.9308142145664094
Energy: -3.687353999090189
Energy: 0.9308142145716547
Energy: -3.3348899764618913
Energy: 0.9308142145709053
Energy: -3.6324940267224894
Energy: -3.252778977260754
Energy: 0.85876223409581
Energy: -4.831523257232449
Energy: 0.8587622337527621
Energy: -3.2222982814545476
Energy: 0.8587622330532467
Energy: 0.7701429661870883
Energy: 1.3517982961925301
Energy: 0.7701429661878376
Energy: 1.3517982957394015
Energy: 0.7701429661848403
Energy: 1.3517982945289926
Energy: -2.1299595997799763
Energy: 1.041128304932534
Energy: -2.2035579207836005
Energy: 1.041128304932534
Energy: -2.4818663845955884
Energy: 1.0411283049317845
Energy: 0.6902255649430148
Energy: 1.3191848444995016
Energy: 0.6902255647370226
Energy: 1.3191848444987524
Energy: 0.6902255642801475
Energy: 1.319184844495755

minimum gb energy = -5.117513974522569 eV
minimum distance =  2.34377002157288 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 1.2889115948861458
Energy: 1.0514118531227126
Energy: 1.2365740303820802
Energy: 1.0514007123871247
Energy: 1.2889111508165494
Energy: 1.051374209019944
Energy: 1.2756801217061986
Energy: 0.9269608969817031
Energy: 1.2756801147451065
Energy: 0.9269608969770149
Energy: 1.2756801008416363
Energy: 0.9269608969787198
Energy: 0.8931654569741442
Energy: 0.9382756032802048
Energy: 0.8931654569771277
Energy: 0.9382755999338744
Energy: 0.893165456975849
Energy: 0.9382755912469614
Energy: 1.1558367775432568
Energy: 1.1321888016552806
Energy: 1.155833082340084
Energy: 1.1321888016569854
Energy: 1.155825673945169
Energy: 1.1321888016582637
Energy: 1.0548567626043936
Energy: 0.9834234310390554
Energy: 1.0548567626035412
Energy: 0.9834033249883003
Energy: 1.0548567626039675
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Energy: 0.8236721963500125
Energy: -2.37788728163654
Energy: 0.823669509459606
Energy: -2.3774796170753327
Energy: 0.8236646026100716
Energy: -2.377943244803274
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Energy: -1.3670428595965465
Energy: 1.2246636124830832
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Energy: 1.2241651729977956
Energy: -1.7180169937943126
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Energy: -2.128446530123281
Energy: 0.712169024828371
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Energy: 0.7141497902659022
Energy: -1.5634186548543763
Energy: -2.0765582527186592
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Energy: 0.8915679205692525
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Energy: 1.232237518078006
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Energy: 1.1013795374901816
Energy: 0.9247819127220183
Energy: -2.2368721210822673
Energy: 0.9247735022866044
Energy: 0.8971215955145219
Energy: 0.9226887625126914
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Energy: -2.7659035268622088
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Energy: -3.3158517049872946
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Energy: 1.1351061678479764
Energy: 1.1807406660273323
Energy: 1.1351061678517733
Energy: 1.1807406660273323
Energy: 1.135106167851347
Energy: -1.7973481409815915
Energy: -1.5823507677275364
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Energy: -1.5823527317383947
Energy: -1.6602823774783837
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Energy: 0.8288334192593977
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Energy: 1.1201727193772273
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Energy: -2.3430521202592454
Energy: 0.8914706501614609
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Energy: 1.051557892838062
Energy: 1.1447519377819002
Energy: 1.0515578928495692
Energy: 1.1447519377797692
Energy: 1.0515578928444549
Energy: 0.893070392494188
Energy: -1.7179839481357906
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Energy: 0.8930703925082528
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Energy: 1.2832859304199247
Energy: 1.0728475588188753
Energy: -3.5062730237594617
Energy: 1.0728475556071482
Energy: -1.804050012193715
Energy: 1.0728475485374125
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Energy: -2.962792735057467
Energy: -1.8334523148575324
Energy: -3.296368332036825
Energy: -2.5948412205095934
Energy: -2.9618548316513045
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Energy: 0.9394499624690976
Energy: 0.8913720542052268
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Energy: 0.9394499624477873
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Energy: 1.2521011629194982
Energy: 0.9263969681117072
Energy: 1.2521011627921015
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Energy: 0.8342925515928235
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Energy: -1.8510658390877597
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Energy: -2.755799985715152
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Energy: 0.7565765082654505
Energy: -2.0719852068967666
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Energy: -1.2329696749806924
Energy: 1.1155269187372723
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Energy: 1.1146346133792255
Energy: -1.6695709073365903
Energy: 0.9291580241073479
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Energy: 0.9291580241064956
Energy: -3.082200390460998
Energy: 0.9291580241043645
Energy: -3.0591319332854567
Energy: 0.9187663647090227
Energy: 0.8886456084967448
Energy: 0.9187343976699112
Energy: 0.8886389847771315
Energy: -3.1497691545844715
Energy: 0.8886238978093604
Energy: 1.13252622443604
Energy: 1.1783598329342315
Energy: 1.132526224434335
Energy: 1.1783598279792482
Energy: 1.1325262244326304
Energy: 1.1783598175047922
Energy: 0.888317092738108
Energy: -1.5127725373624523
Energy: -2.742375534798422
Energy: -1.6981663574945007
Energy: -2.0127308013177028
Energy: -1.7997686124955334
Energy: 0.9519013305780822
Energy: 0.8273718988091553
Energy: 0.9519002370749304
Energy: 0.8273718988091553
Energy: 0.9518974021985083
Energy: 0.8273718988091553
Energy: 1.2324555360179725
Energy: -3.2611637669438993
Energy: 1.2324555360188247
Energy: -1.4858968270544224
Energy: 1.2324555360183989
Energy: -1.9515274424381346
Energy: -1.937190821940968
Energy: 0.7089427849678626
Energy: -2.627937444169833
Energy: 0.708942784968715
Energy: -2.0899957047263062
Energy: 0.7089427849678626
Energy: 0.8991440038067133
Energy: 0.778430684118203
Energy: 0.8991440038041562
Energy: 0.7784306841228912
Energy: 0.899144003802025
Energy: 0.7784306841211865

minimum gb energy = -4.196236643727505 eV
minimum distance =  2.36147606035684 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 1.025552118240157
Energy: 1.0173128514094656
Energy: 1.0255521182411445
Energy: 1.0173128514094656
Energy: 1.0255521182421319
Energy: 1.0173128514074905
Energy: -1.4204250861874321
Energy: 0.8618278186582771
Energy: -1.5287865206766247
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Energy: 0.9484058649453551
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Energy: 0.9484058646157059
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Energy: 0.9484058636819245
Energy: 1.1540091136693154
Energy: 0.9525447883605316
Energy: 0.7482761668330494
Energy: -1.5493538574488739
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Energy: 0.9812865188818591
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Energy: 1.1728750330827076
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Energy: 1.0904323713650805
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Energy: 1.0904323713581678
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Energy: 0.8601004260759065
Energy: 1.2218464299896477
Energy: 0.8601004260749189
Energy: 1.2218225943389263
Energy: 0.8601004260749189
Energy: 0.9483143763873112
Energy: -1.2425013231063289
Energy: 0.9483143531457002
Energy: -0.9814333252306717
Energy: 0.9483142882141115
Energy: -1.908235091502578
Energy: 0.9736320541274105
Energy: 0.9988274201833838
Energy: 0.9736320538391918
Energy: 0.9988273814387922
Energy: 0.9736320531245481
Energy: 0.9988273103202221
Energy: 1.0145274109280848
Energy: 0.9811274805141714
Energy: 1.014527410864929
Energy: 0.9811266126276165
Energy: 1.0145274107188225
Energy: 0.9811244570101034
Energy: 1.0021606640467218
Energy: 1.1134608955856302
Energy: 1.0021606639943839
Energy: 1.1134576860015806
Energy: 1.0021606638364717
Energy: 1.113450553286597
Energy: 1.012182872243614
Energy: 0.9832957892077387
Energy: 1.0121828722386765
Energy: 0.9832957892077387
Energy: 1.012182872233739
Energy: 0.9832957892087263

minimum gb energy = -1.908235091502578 eV
minimum distance =  2.34332906405997 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 0.8008260155729627
Energy: 0.7382252682423195
Energy: 0.800826015571791
Energy: 0.7382252682423195
Energy: 0.800826015571791
Energy: 0.7382252682423195
Energy: 1.2168031226691571
Energy: 1.0590139309088051
Energy: 1.2168031205865302
Energy: 1.0590139309088051
Energy: 1.2168031146466012
Energy: 1.0590139309105624
Energy: 0.6996439086895717
Energy: 1.058204055711616
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Energy: 1.0582040555599832
Energy: 0.8350149635008274
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Energy: 0.8350149635002415
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Energy: 0.8350149634996559
Energy: 0.7043344408146458
Energy: 0.7628288879297436
Energy: 0.7965249239901592
Energy: 0.7628288879285718
Energy: 0.7965249239907447
Energy: 0.7628288879291578
Energy: 0.7965249239901592
Energy: 0.7628547813417245
Energy: 0.7965900518516383
Energy: 0.7628547813417245
Energy: 0.7965900518522241
Energy: 0.7628547813417245
Energy: 0.7965900518516383
Energy: 0.8327432832767543
Energy: 0.7043679692705775
Energy: 0.8327432832755829
Energy: 0.7043679692711632
Energy: 0.8327432832767543
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Energy: 0.6996490715747513
Energy: 1.057790544362777
Energy: 0.6996490715741656
Energy: 1.057790544191814
Energy: 0.6996490715741656
Energy: 1.057790543815328
Energy: 1.2170184839577796
Energy: 1.0594845232201748
Energy: 1.2170184833113635
Energy: 1.0594845232213463
Energy: 1.2170184814084861
Energy: 1.0594845232236627
Energy: 0.8008260155723768
Energy: 0.7382252682423195
Energy: 0.800826015571791
Energy: 0.7382252682423195
Energy: 0.8008260155723768
Energy: 0.7382252682423195
Energy: 1.2168031226756004
Energy: 1.0590139309093909
Energy: 1.2168031207100731
Energy: 1.0590139309088051
Energy: 1.216803114431147
Energy: 1.0590139309093909
Energy: 0.699643908688986
Energy: 1.0582040557104444
Energy: 0.6996439086901575
Energy: 1.0582040556612669
Energy: 0.699643908688986
Energy: 1.05820405555764
Energy: 0.8350149635008274
Energy: 0.7043344408146458
Energy: 0.8350149635002415
Energy: 0.7043344408146458
Energy: 0.8350149635002415
Energy: 0.7043344408146458
Energy: 0.7628288879285718
Energy: 0.7965249239901592
Energy: 0.7628288879297436
Energy: 0.7965249239907447
Energy: 0.7628288879303292
Energy: 0.7965249239901592
Energy: 0.7628547813411387
Energy: 0.7965900518516383
Energy: 0.7628547813417245
Energy: 0.7965900518516383
Energy: 0.7628547813417245
Energy: 0.7965900518516383
Energy: 0.8327432832761685
Energy: 0.7043679692711632
Energy: 0.8327432832761685
Energy: 0.7043679692711632
Energy: 0.8327432832767543
Energy: 0.7043679692711632
Energy: 0.6996490715747513
Energy: 1.0577905443639484
Energy: 0.6996490715735797
Energy: 1.0577905441888853
Energy: 0.6996490715741656
Energy: 1.0577905438047845
Energy: 1.2170184839659537
Energy: 1.0594845232201748
Energy: 1.2170184833148778
Energy: 1.0594845232207606
Energy: 1.2170184814851943
Energy: 1.0594845232230772
Energy: 0.8008260155723768
Energy: 0.7382252682423195
Energy: 0.800826015571791
Energy: 0.7382252682423195
Energy: 0.8008260155723768
Energy: 0.7382252682423195
Energy: 1.2168031226750144
Energy: 1.0590139309082192
Energy: 1.2168031206772703
Energy: 1.0590139309088051
Energy: 1.2168031147923764
Energy: 1.0590139309105624
Energy: 0.6996439086895717
Energy: 1.0582040557104444
Energy: 0.6996439086895717
Energy: 1.0582040556630241
Energy: 0.6996439086895717
Energy: 1.0582040555570544
Energy: 0.8350149635002415
Energy: 0.7043344408146458
Energy: 0.8350149635008274
Energy: 0.7043344408146458
Energy: 0.8350149635002415
Energy: 0.7043344408146458
Energy: 0.7628288879303292
Energy: 0.7965249239901592
Energy: 0.7628288879297436
Energy: 0.7965249239895733
Energy: 0.7628288879303292
Energy: 0.7965249239901592
Energy: 0.7628547813417245
Energy: 0.7965900518516383
Energy: 0.7628547813417245
Energy: 0.7965900518522241
Energy: 0.7628547813423102
Energy: 0.7965900518516383
Energy: 0.8327432832767543
Energy: 0.7043679692711632
Energy: 0.8327432832761685
Energy: 0.7043679692711632
Energy: 0.8327432832767543
Energy: 0.7043679692711632
Energy: 0.6996490715741656
Energy: 1.0577905443557478
Energy: 0.6996490715741656
Energy: 1.057790544199429
Energy: 0.6996490715741656
Energy: 1.0577905438106423
Energy: 1.2170184839548508
Energy: 1.0594845232207606
Energy: 1.2170184833283506
Energy: 1.0594845232219052
Energy: 1.2170184814166867
Energy: 1.0594845232224912
Energy: 0.8008260155723768
Energy: 0.7382252682423195
Energy: 0.8008260155712054
Energy: 0.7382252682423195
Energy: 0.800826015571791
Energy: 0.7382252682423195
Energy: 1.216803122672086
Energy: 1.0590139309088051
Energy: 1.2168031205912162
Energy: 1.0590139309093909
Energy: 1.2168031143866291
Energy: 1.0590139309099764
Energy: 0.699643908688986
Energy: 1.05820405571103
Energy: 0.6996439086901575
Energy: 1.0582040556624384
Energy: 0.699643908688986
Energy: 1.05820405555764

minimum gb energy = 0.699643908688986 eV
minimum distance =  2.35588326713601 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 0.7709511027472059
Energy: 0.719165486492322
Energy: 0.7709511027472059
Energy: 0.719165486492322
Energy: 0.7709511027472059
Energy: 0.719165486492322
Energy: -0.4797642092253866
Energy: -0.63289272677216
Energy: -0.5708707321128095
Energy: -0.6260594106729146
Energy: -0.5687937537003007
Energy: -0.6285558634127169
Energy: 0.7164011384252835
Energy: 0.8888021069422317
Energy: 0.7164011384166746
Energy: 0.8888021069379599
Energy: 0.7164011383879781
Energy: 0.8888021069279162
Energy: 1.031972547024697
Energy: 0.7043753018991719
Energy: 1.0319452283909263
Energy: 0.7043753018991719
Energy: -0.7694639842139084
Energy: 0.7043753018991719
Energy: -0.844085012344233
Energy: 0.699007848269854
Energy: -0.74268182682467
Energy: 0.6990078482684191
Energy: -0.7530761276973599
Energy: 0.6990078482684191
Energy: 0.9366016691576116
Energy: 1.0376591314477197
Energy: 0.9365853479844412
Energy: 1.0376591268870128
Energy: 0.9365351384148933
Energy: 1.0376591163543885
Energy: 0.8714009033732164
Energy: 0.7541073576453315
Energy: 0.8713595997532337
Energy: 0.7541073576467663
Energy: -0.692305142297465
Energy: 0.7541073576467663
Energy: 0.7629288549646798
Energy: 0.7198988483314592
Energy: 0.7629288549661147
Energy: 0.7198988483300245
Energy: 0.7629288549661147
Energy: 0.7198988483314592
Energy: -0.7677478420450484
Energy: 0.7190414831908493
Energy: -0.708345457162768
Energy: 0.7190414469633656
Energy: -0.8183812323487053
Energy: 0.7190414803224806
Energy: 0.8141619149431337
Energy: 0.9636281435343075
Energy: 0.8141619149445685
Energy: -0.6310369096700343
Energy: 0.8141619149431337
Energy: -0.6510792273642797
Energy: 0.7749750888310863
Energy: 0.700657131543566
Energy: 0.7749750888239123
Energy: 0.700657131543566
Energy: 0.8607054291206634
Energy: 0.700657131543566
Energy: 0.9737879239222983
Energy: 0.9134600059945707
Energy: 0.9737860684921885
Energy: -0.7326458827179957
Energy: 0.9737820374691731
Energy: -0.732646482722888

minimum gb energy = -0.844085012344233 eV
minimum distance =  2.35143042526256 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 0.9045231863134815
Energy: 0.6874653486598223
Energy: 0.9045231863159002
Energy: 0.6874653486602255
Energy: 0.9045231863142877
Energy: 0.6874653486606287
Energy: -4.513523735040623
Energy: 0.7482815344372937
Energy: -4.090588168326837
Energy: 0.7632449916236922
Energy: -4.173423154517875
Energy: 0.6646275674489761
Energy: 0.6309152756069732
Energy: -4.313258405705367
Energy: 0.6309152756138268
Energy: -4.211650354284716
Energy: 0.6309152756085858
Energy: -3.7139729455976624
Energy: 0.6761792258397382
Energy: 0.6595344082162321
Energy: 0.6761792258344972
Energy: 0.6595344082166352
Energy: 0.6761792258385287
Energy: 0.6595344082154257
Energy: 0.667061239164983
Energy: 0.6683164565786661
Energy: 0.6670612391629673
Energy: 0.6683164565931795
Energy: 0.6670612391549043
Energy: 0.6683164566097087
Energy: -3.899572511948601
Energy: -3.853433773269622
Energy: -3.915982232893803
Energy: -3.6939034100199137
Energy: -3.8815680688861254
Energy: -3.9218054235082813
Energy: -4.211003083107187
Energy: 0.7332902272508706
Energy: -4.224696032623789
Energy: 0.7332902140519696
Energy: -3.7596404949550255
Energy: 0.7332901825279725
Energy: 0.6188561549073771
Energy: 0.7298798384191705
Energy: 0.6188561549073771
Energy: 0.7298798384147359
Energy: 0.6188561549061677
Energy: 0.7298798384071128
Energy: -3.9764462749183647
Energy: 0.6683810289352853
Energy: -4.412063173090396
Energy: 0.6683810289308874
Energy: -4.143543357795058
Energy: 0.6683810289325
Energy: -3.5834394676716625
Energy: 0.9798501562016592
Energy: -3.2543257391160854
Energy: 0.9798459352471285
Energy: -3.181919905540332
Energy: 0.979623990690633
Energy: -4.296278333076457
Energy: 0.6571706082867955
Energy: -4.04094721114901
Energy: 0.657170608288005
Energy: -3.886681542924133
Energy: 0.6571706082876019
Energy: 0.6366624967702964
Energy: -3.763828930151777
Energy: 0.6366624967686838
Energy: -3.8774471934550765
Energy: 0.63666249676949
Energy: -3.5818812592853786
Energy: -2.3354349359210116
Energy: 0.7636913046179206
Energy: -3.681835380072838
Energy: 0.7636895840135848
Energy: -2.6194016227084185
Energy: 0.7636831949074319
Energy: 0.9088492191104818
Energy: 0.7693897939248017
Energy: 0.908849219078633
Energy: 0.7693897939167387
Energy: 0.9088492189799345
Energy: 0.7693897938889213
Energy: 0.6497065274121637
Energy: 0.7008714801374262
Energy: 0.6497065274121637
Energy: 0.7008714798875834
Energy: 0.6497065274137763
Energy: 0.7008714792150197
Energy: -3.8208045395437633
Energy: -1.4701578658502334
Energy: -3.78667464168209
Energy: -4.234990597728962
Energy: -3.858394293788956
Energy: -4.5354570607370315
Energy: 0.8955042793803452
Energy: -4.2008503665819905
Energy: 0.895504272281612
Energy: -4.067319123086702
Energy: 0.8955042479357319
Energy: -4.0182469131804215
Energy: 0.6604002866387213
Energy: 0.6696390965380271
Energy: 0.6604002866350929
Energy: 0.6696390965384302
Energy: 0.6604002866258204
Energy: 0.6696390965372208
Energy: 0.6220933279001369
Energy: 1.076956972775251
Energy: 0.6220933279017495
Energy: 1.0769569727696067
Energy: 0.6220933279021527
Energy: 1.0769569727558996
Energy: 1.047238416243604
Energy: 0.6485723535077623
Energy: 1.0472384157858092
Energy: 0.6925261649158342
Energy: 1.047238415005678
Energy: -3.171557661344148
Energy: 0.6221968082872514
Energy: 1.0768879145628305
Energy: 0.6221968082880576
Energy: 1.0768879145559769
Energy: 0.6221968082884607
Energy: 1.0768879145434793
Energy: 0.660450334537279
Energy: 0.6695122448295986
Energy: 0.6604503345364728
Energy: 0.669512244827986
Energy: 0.6604503345316349
Energy: 0.6695122448283892
Energy: 0.8954686928338742
Energy: -3.321199912996013
Energy: 0.8954686605365628
Energy: -4.189923294114031
Energy: 0.8954685907996556
Energy: -4.132456728061857
Energy: -3.762471502169197
Energy: -3.2304619070051035
Energy: -4.352734512147017
Energy: -4.319132098005677
Energy: -3.9956877042359054
Energy: -3.9859979384888646
Energy: 0.6498376344231102
Energy: 0.7008538872492144
Energy: 0.6498376344235133
Energy: 0.7008538865766508
Energy: 0.6498376344223038
Energy: 0.7008538853923435
Energy: 0.909365854845255
Energy: 0.769004041292698
Energy: 0.9093658548360192
Energy: 0.7690040411053433
Energy: 0.9093658548315845
Energy: 0.7690040408417933
Energy: -2.5168413055776324
Energy: 0.7635180805958112
Energy: -2.442619808981917
Energy: 0.763512395691825
Energy: -2.3112222464630157
Energy: 0.7634960769027314
Energy: 0.6366960953542932
Energy: -3.991253698621937
Energy: 0.6366960953546963
Energy: -3.0620846880517467
Energy: 0.6366960953563089
Energy: -3.0144289193838336
Energy: -3.9596996536810227
Energy: 0.6570067971546528
Energy: -4.012520697180074
Energy: 0.6570067971538467
Energy: -3.901289158185037
Energy: 0.6570067971558623
Energy: -3.742568583862169
Energy: 1.080884529575588
Energy: -3.149506270366539
Energy: 1.0808680420198966
Energy: -3.745045254966958
Energy: 1.0808283318399643
Energy: -4.663601794258589
Energy: 0.6681646760692158
Energy: -3.9420710605716653
Energy: 0.6681646760631686
Energy: -4.31007575879664
Energy: 0.6681646760672002
Energy: 0.6190875804627183
Energy: 0.7297314198608846
Energy: 0.6190875804611056
Energy: 0.7297314198495966
Energy: 0.6190875804602993
Energy: 0.7297314198012551
Energy: -3.814840811201715
Energy: 0.7333469920593824
Energy: -4.312729679942548
Energy: 0.7333469963993621
Energy: -3.5825254922458942
Energy: 0.7333469773146588
Energy: -3.507486374143373
Energy: -4.259424067954081
Energy: -4.03506338984998
Energy: -4.429424882557889
Energy: -3.7761861333100284
Energy: -4.326062271074577
Energy: 0.6671321506751258
Energy: 0.6684541900870539
Energy: 0.6671321506751258
Energy: 0.6684541900753626
Energy: 0.6671321506694817
Energy: 0.668454190057624
Energy: 0.6762424662041003
Energy: 0.6595854471301462
Energy: 0.6762424662036972
Energy: 0.6595854471325652
Energy: 0.6762424662036972
Energy: 0.6595854471325652
Energy: 0.6300886163923374
Energy: -3.788640262761073
Energy: 0.6300886163883058
Energy: -3.178851362612625
Energy: 0.6300886163911279
Energy: -4.4100214441558165
Energy: -3.829301022440469
Energy: 0.7879454897614577
Energy: -4.035424764899501
Energy: -4.001068350207316
Energy: -3.4946075291883973
Energy: -3.302242095283609
Energy: 0.9045231863126751
Energy: 0.6874653486658696
Energy: 0.9045231863154971
Energy: 0.6874653486646601
Energy: 0.9045231863126751
Energy: 0.6874653486634508
Energy: -4.266146921499841
Energy: 0.7482815344348748
Energy: -3.8972897739600882
Energy: 0.7482815344356811
Energy: -3.338575971817567
Energy: 0.7482815344332623
Energy: 0.6309152756053606
Energy: -2.60552196067878
Energy: 0.630915275611811
Energy: -2.79830279273602
Energy: 0.6309152756077795
Energy: -4.14325153721302
Energy: 0.6761792258425602
Energy: 0.6595344082182478
Energy: 0.6761792258357067
Energy: 0.6595344082190542
Energy: 0.6761792258373193
Energy: 0.6595344082166352
Energy: 0.6670612391641768
Energy: 0.6683164565685874
Energy: 0.6670612391657893
Energy: 0.6683164565814882
Energy: 0.6670612391553075
Energy: 0.6683164565915669

minimum gb energy = -4.663601794258589 eV
minimum distance =  2.38743580294435 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 0.4885706533624468
Energy: 0.4951350793526768
Energy: 0.4885706533624468
Energy: 0.4951350793545123
Energy: 0.4885706533624468
Energy: 0.49513507935543
Energy: 0.5306758973015817
Energy: 0.49079936613093667
Energy: 0.5306758973015817
Energy: 0.4907993661098292
Energy: 0.5306758973015817
Energy: 0.490799366117171
Energy: 0.5125220429274694
Energy: 0.5445130526950944
Energy: 0.5125220429265517
Energy: 0.5445130526932591
Energy: 0.5125220429265517
Energy: 0.5445130526950944
Energy: 0.4966099356518188
Energy: 0.4938020660859933
Energy: 0.4966099356545719
Energy: 0.4938020660859933
Energy: 0.4966099356536542
Energy: 0.4938020660859933
Energy: 0.5295097877237392
Energy: 0.5314318162854682
Energy: 0.5295097877283279
Energy: 0.5314318162873036
Energy: 0.5295097877246571
Energy: 0.5314318162863858
Energy: 0.48875107860324224
Energy: 0.5133263085402328
Energy: 0.48875107860140676
Energy: 0.5133263085411506
Energy: 0.48875107860048905
Energy: 0.5133263085393152
Energy: 0.4887917548841792
Energy: 0.5132669654488322
Energy: 0.4887917548823438
Energy: 0.51326696544975
Energy: 0.488791754881426
Energy: 0.5132669654460792
Energy: 0.5307070632843632
Energy: 0.5313451176812468
Energy: 0.5307070632825277
Energy: 0.5313451176830823
Energy: 0.5307070632806924
Energy: 0.5313451176821645
Energy: 0.495138514894659
Energy: 0.49377908366680323
Energy: 0.495138514894659
Energy: 0.49377908366680323
Energy: 0.4951385148983299
Energy: 0.49377908366772094
Energy: 0.5123808140474115
Energy: 0.5444355653159213
Energy: 0.5123808140464938
Energy: 0.5444355653150035
Energy: 0.5123808140464938
Energy: 0.5444355653177566
Energy: 0.5301404348305997
Energy: 0.49046460200970093
Energy: 0.5301404348296819
Energy: 0.49046460200603004
Energy: 0.5301404348278882
Energy: 0.49046460199960606
Energy: 0.4885706533624468
Energy: 0.4951350793535946
Energy: 0.4885706533624468
Energy: 0.4951350793535946
Energy: 0.4885706533624468
Energy: 0.4951350793535946
Energy: 0.5306758973015817
Energy: 0.49079936612175956
Energy: 0.5306758973015817
Energy: 0.49079936612175956
Energy: 0.5306758973015817
Energy: 0.490799366104323
Energy: 0.5125220429247163
Energy: 0.5445130526941767
Energy: 0.5125220429265517
Energy: 0.5445130526969298
Energy: 0.5125220429237985
Energy: 0.5445130526969298
Energy: 0.4966099356518188
Energy: 0.4938020660859933
Energy: 0.496609935650901
Energy: 0.4938020660859933
Energy: 0.4966099356545719
Energy: 0.4938020660859933
Energy: 0.5295097877292455
Energy: 0.5314318162873036
Energy: 0.5295097877283279
Energy: 0.5314318162882213
Energy: 0.5295097877292455
Energy: 0.5314318162873036
Energy: 0.48875107860507766
Energy: 0.5133263085393152
Energy: 0.4887510786041599
Energy: 0.5133263085411506
Energy: 0.48875107860140676
Energy: 0.5133263085402328
Energy: 0.48879175488601456
Energy: 0.5132669654460792
Energy: 0.48879175488326143
Energy: 0.5132669654479145
Energy: 0.4887917548841792
Energy: 0.5132669654442438
Energy: 0.5307070632852809
Energy: 0.5313451176821645
Energy: 0.5307070632834455
Energy: 0.5313451176812468
Energy: 0.5307070632816101
Energy: 0.5313451176840001

minimum gb energy = 0.4885706533624468 eV
minimum distance =  2.47421162185937 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 0.6356582939938661
Energy: 0.7864368565206206
Energy: 0.6356582939952107
Energy: 0.7864368565233097
Energy: 0.6356582939952107
Energy: 0.7864368565239819
Energy: 0.8374931057826736
Energy: -2.000518510065031
Energy: -3.1341113307150317
Energy: -1.8233586152498298
Energy: -2.9959671151151546
Energy: -1.9350044044452204
Energy: -2.487842403717434
Energy: -2.8003965204365673
Energy: -2.119989259123802
Energy: -2.92178857105168
Energy: 0.7347365905959252
Energy: -2.764533822964538
Energy: -2.8054808160325506
Energy: -3.413446996764498
Energy: -2.9424038311936656
Energy: -2.8266248152770816
Energy: -2.8351553537108716
Energy: -2.8198085027306217
Energy: 0.7560881025123329
Energy: 0.4852402521147724
Energy: 0.7560881025163664
Energy: 0.4852402702942626
Energy: 0.7560881025197276
Energy: 0.48524026945298
Energy: 0.6987708959700986
Energy: -1.8669389128548095
Energy: 0.69877089398044
Energy: -1.9543932164320128
Energy: 0.698770889765349
Energy: -1.8730731949477153
Energy: -2.2752197690746803
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Energy: 0.6040016447212749
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Energy: -3.0193969800590503
Energy: -2.0299402989887816
Energy: -3.2600816803377213
Energy: -1.747006916104092

minimum gb energy = -3.4570110214880065 eV
minimum distance =  2.32523621203296 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

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Energy: 0.5858108735654234
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Energy: -0.9213687004879848
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Energy: -0.9882712800002708
Energy: -1.2270962133525791
Energy: -1.3097297142337978
Energy: -1.2282798155883579

minimum gb energy = -2.9110578274800867 eV
minimum distance =  2.35775380077432 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

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Energy: -3.3699608057936565
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Energy: 0.8831147851901838
Energy: 0.49810253335722626
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Energy: -3.776869303592867
Energy: -2.9078278894684866
Energy: -3.5763943185797933
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Energy: 0.942781259745595
Energy: 0.3919745932950415
Energy: 0.9427812597470825
Energy: 0.3919745932965289
Energy: 0.942781259745595

minimum gb energy = -4.249729016206263 eV
minimum distance =  2.39971815495221 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 0.6218524505623954
Energy: 0.29169029264200913
Energy: 0.6218524505626496
Energy: 0.2916902925327176
Energy: 0.6218524505626496
Energy: 0.2916902925600546
Energy: 0.6272833610040744
Energy: 0.29933144978113496
Energy: 0.6272833610038203
Energy: 0.29933144977119425
Energy: 0.6272833610040744
Energy: 0.2993314497562832
Energy: 0.24095297573486094
Energy: 0.7214800611963119
Energy: 0.15155987570519772
Energy: 0.721480061196792
Energy: -0.009902295021276302
Energy: 0.7214800611963119
Energy: 0.6274983712901688
Energy: 0.2992384165417835
Energy: 0.6274983712906773
Energy: 0.2992384165343279
Energy: 0.627498371290423
Energy: 0.2992384165368131
Energy: 0.6218524505636379
Energy: 0.29169029264200913
Energy: 0.621852450563892
Energy: 0.29169029253023243
Energy: 0.6218524505641464
Energy: 0.2916902926370387
Energy: 0.627283361005063
Energy: 0.2993314497687091
Energy: 0.627283361005063
Energy: 0.2993314497736795
Energy: 0.6272833610052889
Energy: 0.29933144980098825
Energy: -0.5069458314421161
Energy: 0.7214800611955494
Energy: -0.5052792674949713
Energy: 0.7214800611958035
Energy: -0.5060140971367255
Energy: 0.7214800611950694

minimum gb energy = -0.5069458314421161 eV
minimum distance =  2.40255111943949 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

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Energy: -3.842443134583751
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Energy: -3.1975251583506807
Energy: -2.5125135809627235
Energy: -4.560646134802633
Energy: -3.092430660467708

minimum gb energy = -4.92040445203634 eV
minimum distance =  2.33647387326393 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

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Energy: 0.5132151249017022
Energy: -1.8523331987889466
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Energy: -1.8649054855162928
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Energy: -1.5880810930070801
Energy: -2.2345794431639967
Energy: -1.5353951803497532
Energy: -2.2344844192345175

minimum gb energy = -3.127427437392896 eV
minimum distance =  2.29001021164885 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

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Energy: -1.786020744162921
Energy: -2.11251889502489
Energy: -1.3389831672215546
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Energy: -0.8237499934876861
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Energy: -2.539102934215776
Energy: 0.5215472262223869
Energy: -2.468363568023514
Energy: 0.5215472262235271

minimum gb energy = -2.539102934215776 eV
minimum distance =  2.42536424595394 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 0.36490811051460637
Energy: -1.2902190242973541
Energy: 0.3649081173318989
Energy: -1.5033608196892172
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Energy: -1.58507656918873
Energy: -1.3830182511028848
Energy: -1.6726954470522684
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Energy: -1.863727716213889
Energy: -1.0147589598484748
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Energy: -1.061636593243612
Energy: -1.3109583292019429
Energy: -1.3230481958869995
Energy: -1.279338294055532
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Energy: -1.5183006000235983
Energy: -0.9196984782128865
Energy: -1.5511655200393981
Energy: -1.8299226566803806
Energy: -1.5345102228643268
Energy: -0.9056080897946797
Energy: -1.117697056890857
Energy: -1.2299470255781013
Energy: -1.116083162789188
Energy: -1.1333483137502511
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Energy: -0.8284057828820167
Energy: -0.7621337846859215
Energy: -0.8460701372848872
Energy: -0.759870639064425
Energy: -0.8476093809517893

minimum gb energy = -2.6767914277168976 eV
minimum distance =  2.4105770846006 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: -1.1288068380242176
Energy: -0.8279107416907809
Energy: -1.5105074895918436
Energy: -0.8279364319704483
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Energy: -1.1297705327504526
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Energy: -1.326092788905054
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Energy: -1.323978926136647
Energy: -1.0391538369386026
Energy: -1.3529683236417815
Energy: -1.040070006524384

minimum gb energy = -2.4939075949259237 eV
minimum distance =  2.39375222167422 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

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Energy: -1.5593797112990964
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Energy: -1.485200273535168
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Energy: -1.6140365215805206
Energy: -2.300013112070733
Energy: -1.41895617582435
Energy: -1.7483114181017416
Energy: -1.7464504513206485
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Energy: -1.7406683926720738
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Energy: -2.0690908546334783
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Energy: -1.2521990297075065
Energy: -1.6774732542972255
Energy: -1.4318733313600438
Energy: -1.5219782908252228
Energy: -1.347821376443585
Energy: -1.6195145545264067
Energy: -1.9099206170626792
Energy: -1.5864766769815566
Energy: -1.3538097653267438
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Energy: -1.727735359929057
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Energy: -1.4444578720502408
Energy: -1.8190019289897854
Energy: -3.8702404433590245
Energy: -1.6030247571177898
Energy: -3.149372770788238
Energy: -3.0845940794882254
Energy: -1.5958291662042627
Energy: -2.3177571538680484
Energy: -1.1703148053139099
Energy: -2.32747776180295
Energy: -1.458372113306301
Energy: -2.270171235127233
Energy: -2.3993818116905477
Energy: -2.589586258838171
Energy: -1.5257098602610477
Energy: -1.86346416731545
Energy: -1.4103348600006145
Energy: -1.901050895150162
Energy: -1.6223171064845896
Energy: -1.776172792486782
Energy: -1.458853101344198
Energy: -1.7310677030722617
Energy: -1.4626852328933522
Energy: -1.515184591245412
Energy: -1.59854220385714
Energy: -2.057015867682848
Energy: -1.3747462772130334
Energy: -1.9540801907633674
Energy: -1.273901761149509
Energy: -2.020636714012206
Energy: -1.6094367711391462
Energy: -2.2044019027691593
Energy: -1.7773862922509276
Energy: -2.395863195879344
Energy: -1.5472049337264693
Energy: -1.9202383405130992
Energy: -2.2662835449229353
Energy: -1.4446993920454305
Energy: -2.0663220098794746
Energy: -1.3127593941234423
Energy: -2.951629128973701
Energy: -1.728262570022273
Energy: -1.4198679148870708
Energy: -1.711719633787839
Energy: -1.419871565785919
Energy: -2.5354967372412056
Energy: -1.4198615584690646
Energy: -2.5728098798681245
Energy: -1.529033328063495
Energy: -2.4472036798365053
Energy: -2.0304574098626103
Energy: -2.130891877445248
Energy: -1.82688602488364
Energy: -1.7496467244175102
Energy: -1.4692256158204202
Energy: -1.6687524409749284
Energy: -1.4287008751920094
Energy: -1.6356753087114073
Energy: -1.4658330417578058

minimum gb energy = -3.891988848134686 eV
minimum distance =  2.35919136562587 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: -1.7954435490380802
Energy: -4.935574239980763
Energy: -2.192999313149403
Energy: -4.943509320296866
Energy: -1.915870215169832
Energy: -2.098478469449955
Energy: -2.2789028361798787
Energy: -1.6577891918545358
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Energy: -2.036296927945769
Energy: -2.359690165720255
Energy: -2.153226154388363
Energy: -2.6643335404345136
Energy: -2.38819471502897
Energy: -1.9223994956181267
Energy: -2.6661978920120397
Energy: -1.536267533571351
Energy: -2.3958509823012153
Energy: -2.453409149692033
Energy: -2.2793711802353553
Energy: -2.5094299100431314
Energy: -2.4214040620729165
Energy: -2.4541282269280003
Energy: -2.5483438251993413
Energy: -1.9388363460903875
Energy: -1.9154168865991614
Energy: -2.091728337739064
Energy: -2.041592623545989
Energy: -2.101451674319942
Energy: -2.221007639762449
Energy: -1.993180343511113
Energy: -2.3234700289518075
Energy: -1.9436407443910435
Energy: -2.0683134657521927
Energy: -1.7913032521674737
Energy: -2.2777892979608914
Energy: -2.4049729245862386
Energy: -2.279798380347517
Energy: -2.265503204813288
Energy: -2.27642561224784
Energy: -2.419711382228027
Energy: -1.9999962609875368
Energy: -2.163092574187095
Energy: -1.9603665142529814
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Energy: -2.2179049104281354
Energy: -2.381125283124774
Energy: -2.2099820726240815
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Energy: -1.8865967008501427
Energy: -1.7116146346794854
Energy: -2.322862474254791
Energy: -1.5678679290524862
Energy: -2.1414199396731597
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Energy: -2.1246598519345667
Energy: -2.372428704216113
Energy: -2.1233960795512523
Energy: -2.7499570193527716
Energy: -2.029728728643001
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Energy: -2.0527076500236117
Energy: -2.2978197267228495
Energy: -2.0506849394303845
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Energy: -1.9864321827868685
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Energy: -1.8264715895974408
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Energy: -1.794124387310722
Energy: -2.924171525781455
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Energy: -2.4846107012839416
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Energy: -2.6984815299759295
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Energy: -2.5079408761848456
Energy: -1.8787555808829715
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Energy: -2.2485750377658076
Energy: -1.7564803768209407
Energy: -2.7937212879841327
Energy: -2.2783504790311753
Energy: -2.3838967665758912
Energy: -2.0802867573965393
Energy: -2.2405319374270145
Energy: -2.9098033264494605
Energy: -2.4820144996285785
Energy: -1.7635710228191053
Energy: -1.4572234269320394
Energy: -2.0864505555462625
Energy: -1.4940069143296533
Energy: -2.095333868097603
Energy: -1.494100179685667
Energy: -2.171223658499714
Energy: -2.6866660869359964
Energy: -2.2579759690130103
Energy: -2.483201502293774
Energy: -1.6143741105827825
Energy: -2.4927555555202967
Energy: -2.508435055526272
Energy: -3.296271594022147
Energy: -2.4231197247356504
Energy: -3.296271593783985
Energy: -2.598697541452259
Energy: -3.296271593934246
Energy: -2.394194513391104
Energy: -1.9279417876987601
Energy: -2.30963196116275
Energy: -2.3348090471801206
Energy: -2.4046564893590565
Energy: -2.6314268365212605
Energy: -3.0564484203341005
Energy: -2.397606185179471
Energy: -3.0564484203281923
Energy: -2.065499662323521
Energy: -3.0564484203367264
Energy: -2.0662645722332478
Energy: -2.2086099337037775
Energy: -1.9916025014775278
Energy: -2.2487164985595958
Energy: -2.0115854156318016
Energy: -2.314971015653135
Energy: -1.9978633822107916
Energy: -2.271307646270108
Energy: -2.063586144788141
Energy: -2.3120089426139465
Energy: -2.05592200065117
Energy: -2.2720259286622757
Energy: -1.9855298261980157
Energy: -1.991538429847163
Energy: -2.215188949653333
Energy: -2.3032567882486528
Energy: -2.0667892104771375
Energy: -2.030483798138164
Energy: -2.0560100961866032
Energy: -2.613751475991542
Energy: -2.573490873504847
Energy: -2.4689294702863642
Energy: -2.211551182793064
Energy: -2.4322917104359876
Energy: -2.195210329320336

minimum gb energy = -4.943509320296866 eV
minimum distance =  2.38214996404796 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: -1.1038308120510585
Energy: -2.3716923875658398
Energy: -1.8224522448117193
Energy: -2.3753442519382033
Energy: -1.746020580184071
Energy: -1.4073306775165215
Energy: -1.374563048928435
Energy: -1.7241827458211252
Energy: -1.1594205154701769
Energy: -1.0967585981665624
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Energy: -1.099398676157288
Energy: -1.3952246344245958
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Energy: -1.39822877847629
Energy: -1.5342164319411835
Energy: -1.38205013936557
Energy: -1.5342164354764503
Energy: -1.5309761047837094
Energy: -1.1566619562345488
Energy: -1.5309760503445413
Energy: -1.4041917324684223
Energy: -1.5309759052247751
Energy: -1.6004011639256497
Energy: -1.2377244721115155
Energy: -1.2062916584086572
Energy: -1.2457518870095985
Energy: -1.2197410847260028
Energy: -1.132710657163714
Energy: -1.2072288653293965
Energy: -1.4311631935042257
Energy: -0.8510745677455055
Energy: -1.436305521910994
Energy: -0.8492359913381997
Energy: -1.3756664109686678
Energy: -0.8271011598138046
Energy: -1.2727546908760634
Energy: -1.3230554423637815
Energy: -0.7533705042428405
Energy: -1.322256183263056
Energy: -1.333195496116117
Energy: -1.3169407710319931
Energy: -0.9850485021165769
Energy: -1.6064647048600214
Energy: -1.3917330860004393
Energy: -1.4115398835955593
Energy: -1.2735286411327889
Energy: -1.341817850590173
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Energy: -0.9816316876487665
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Energy: -1.0576716208902806
Energy: -1.2569943101508039
Energy: -1.0192690274360487
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Energy: -1.264616801667619
Energy: -1.360242062465146
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Energy: -1.3874998148593567
Energy: -2.2016565214269592
Energy: -1.3896507629113646
Energy: -1.52393721802727
Energy: -1.2694654506621639
Energy: -1.4361026232980207
Energy: -1.2526718895804707
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Energy: -0.9175820302748265
Energy: -1.5383951115007717
Energy: -0.9205339415265126
Energy: -1.4148736408326132
Energy: -0.9242816347738193
Energy: -1.3686059854691548
Energy: -1.334624979526262
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Energy: -1.4538726955691565
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Energy: -1.2236377143389612
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Energy: -1.3910927169488805
Energy: -1.2706359675615204
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Energy: -1.2501440870365632
Energy: -1.173344876826474
Energy: -2.8043917095174433
Energy: -1.7583522238440141
Energy: -1.1705634069115398
Energy: -1.4568751848941943
Energy: -1.169710140805622
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Energy: -1.5786652629995948
Energy: -1.2804968249149182
Energy: -1.1836731755015817
Energy: -1.5936850865455254
Energy: -1.371001310507043
Energy: -1.6948722740631517
Energy: -1.1738380025631303
Energy: -1.69236876100605
Energy: -1.17577879514288
Energy: -0.95952053729173
Energy: -1.1907441794227926
Energy: -0.9595208356764325
Energy: -1.3020750165266712
Energy: -0.9595214933756545
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Energy: -1.3895384981227392
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Energy: -1.2598568968072497
Energy: -1.724607221438144
Energy: -1.022837722656892
Energy: -1.3919907073613504
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Energy: -1.345352388366685
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Energy: -1.3730609109688352
Energy: -1.4308417511136216
Energy: -1.429109687121716
Energy: -1.47958252398117
Energy: -1.4706563445662524
Energy: -1.4647717952278707
Energy: -1.6980890045658337
Energy: -1.3528922885844095
Energy: -1.3098236597774455
Energy: -1.0036430986289435
Energy: -1.4193001363816644
Energy: -1.4985238349910897
Energy: -1.4271044726314555
Energy: -1.5469999683543174
Energy: -1.2510640535292394
Energy: -1.4978967061461044
Energy: -1.3233517033045559
Energy: -1.9070105564030788
Energy: -1.3225011684810772
Energy: -1.5965540095539617
Energy: -1.3043938335601644
Energy: -1.2134040004897904
Energy: -1.2916425207692053
Energy: -1.2244298782520806
Energy: -1.3476446509480002
Energy: -2.442585843998206
Energy: -1.5528100170510428
Energy: -1.022238755226443
Energy: -1.4814793090724023
Energy: -1.0229002379824392
Energy: -1.4978664877451782
Energy: -1.0199778792808956
Energy: -1.5012463668900817
Energy: -2.210275296760971
Energy: -1.3050445877960437
Energy: -2.172022072415229
Energy: -1.2462300737027368
Energy: -2.105064281073121
Energy: -1.2475639386680282

minimum gb energy = -2.8043917095174433 eV
minimum distance =  2.347287925716 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 0.016656899493867856
Energy: -0.0197598031309721
Energy: 0.016656899493867856
Energy: -0.0197598031309721
Energy: 0.016656899493867856
Energy: -0.0197598031309721
Energy: 0.7710641331614048
Energy: -0.022390382794649034
Energy: 0.7710641331614048
Energy: -0.022390382794649034
Energy: 0.7710641331614048
Energy: -0.022390382794649034
Energy: 0.7710887970448931
Energy: -0.02224817119818404
Energy: 0.7710887970448931
Energy: -0.02224817119818404
Energy: 0.7710887970448931
Energy: -0.02224817119818404
Energy: 0.016656899493867856
Energy: -0.0197598031309721
Energy: 0.016656899493867856
Energy: -0.0197598031309721
Energy: 0.016656899493867856
Energy: -0.0197598031309721
Energy: 0.7710641331596475
Energy: -0.022390382794649034
Energy: 0.7710641331614048
Energy: -0.022390382794649034
Energy: 0.7710641331614048
Energy: -0.022390382794649034
Energy: 0.7710887970448931
Energy: -0.02224817119818404
Energy: 0.7710887970448931
Energy: -0.02224817119818404
Energy: 0.7710887970448931
Energy: -0.02224817119818404
Energy: 0.016656899493867856
Energy: -0.0197598031309721
Energy: 0.016656899493867856
Energy: -0.0197598031309721
Energy: 0.016656899493867856
Energy: -0.0197598031309721
Energy: 0.7710641331614048
Energy: -0.022390382794649034
Energy: 0.7710641331614048
Energy: -0.022390382794649034
Energy: 0.7710641331614048
Energy: -0.022390382794649034
Energy: 0.7710887970448931
Energy: -0.02224817119818404
Energy: 0.7710887970448931
Energy: -0.02224817119818404
Energy: 0.7710887970448931
Energy: -0.02224817119818404
Energy: 0.016656899493867856
Energy: -0.0197598031309721
Energy: 0.016656899493867856
Energy: -0.0197598031309721
Energy: 0.016656899493867856
Energy: -0.0197598031309721

minimum gb energy = -0.022390382794649034 eV
minimum distance =  2.45420652718383 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: -0.19840587095185555
Energy: -0.11887838063521654
Energy: -2.909843231915203
Energy: -2.3506871692763514
Energy: -2.9157347182451945
Energy: -2.5994363085848033
Energy: -3.5804706858087503
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Energy: -3.0037902283794726
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Energy: -1.8297673465325794
Energy: -1.8718021402470733
Energy: -2.9477426065003876
Energy: -1.9269842966348723
Energy: -3.015697617508914
Energy: -1.880417597407336
Energy: -2.910621098860138
Energy: 0.11859075204261095
Energy: -2.056079077641481
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Energy: -2.094322198418814
Energy: 0.11859075204471443
Energy: -1.993948822230522
Energy: -3.045414021963707
Energy: -3.313968882276131
Energy: -2.3682117152067668
Energy: -3.154918212353661
Energy: -2.912617908512525
Energy: -2.6070522682381285
Energy: -1.8283970583549989
Energy: -3.401536943128278
Energy: -1.9812905508439123
Energy: -3.0835832594159895
Energy: -2.2824060792037106
Energy: -3.3137969603812585
Energy: 0.191624156023077
Energy: -0.021752128049168668
Energy: 0.1916241560214994
Energy: -0.021771612718131585
Energy: 0.1916241560193959
Energy: -0.02354242579731962
Energy: -3.270890299001497
Energy: 0.07557312007830273
Energy: -2.8742715040381985
Energy: 0.07557237127189073
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Energy: 0.07557077991851431
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Energy: -2.970194160168873
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Energy: -3.076359990039227
Energy: -0.090111102891029
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Energy: -2.8776086483456202
Energy: -2.8833044286672838
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Energy: -3.088124556449825
Energy: -1.757995357225846
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Energy: -3.2171586397074834
Energy: -3.192279153568773
Energy: -3.169351502853648
Energy: -3.1252068384707634

minimum gb energy = -3.6618165865709082 eV
minimum distance =  2.3736781693282 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: -3.1857120397047263
Energy: -3.3293689019252777
Energy: -3.78876099205563
Energy: -3.349226640754079
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Energy: -2.46659942343172
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Energy: -4.42895520653303
Energy: -4.400730625072187
Energy: -4.647063445128943
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Energy: -4.485362557382949
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Energy: -4.0208068880119185
Energy: -4.9801738352801825
Energy: -3.691098609887814
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Energy: -3.8780881124475584
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Energy: -4.273468357827067
Energy: -4.471605202544324
Energy: -4.244277025351419
Energy: -4.641446124766915
Energy: -4.483943309906628
Energy: -4.469495153938228
Energy: -4.354480483832292
Energy: -4.708878646173762
Energy: -4.186997239096355
Energy: -4.33183621605305
Energy: -4.131502380479349
Energy: -4.686385765980475
Energy: 0.4846654994205777
Energy: -4.290024689324073
Energy: 0.48466549942132703
Energy: -4.521882997384966
Energy: 0.48466549942132703
Energy: -4.637255211161095

minimum gb energy = -5.196971958163665 eV
minimum distance =  2.33541964036459 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: -3.533694056416022
Energy: 0.4543724876978088
Energy: -3.2016434629980837
Energy: 0.45437248764979854
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Energy: -3.6904859091817315
Energy: -3.636991624448315
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Energy: -2.0605627576827863
Energy: -1.3064351774438487
Energy: -2.3798954758526367
Energy: -1.3014845160316368

minimum gb energy = -4.019739975862567 eV
minimum distance =  2.3595110739174 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

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Energy: -1.82037168552338
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Energy: -2.2203778415467017
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Energy: -3.4156712638471616
Energy: -2.677485451603801
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Energy: 0.5040555062609114
Energy: 0.499119904191139
Energy: 0.5040555060845228
Energy: 0.499021189825172
Energy: 0.4024486780807809
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Energy: 0.4024486780120542
Energy: 0.6186888286588994
Energy: 0.40244867785507404
Energy: 0.6186888286601973
Energy: 0.5937968431439915
Energy: 0.5086816525068011
Energy: 0.5937968431452894
Energy: 0.5086816525055032
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Energy: 0.5086816525042054
Energy: 0.5023757738188507
Energy: 0.4553393543559094
Energy: 0.5023757737799155
Energy: 0.45533935299765693
Energy: 0.5023757736022287
Energy: 0.4553393500801041
Energy: 0.37716403841385526
Energy: -1.3891280716400238
Energy: 0.3771640384125574
Energy: -1.2869346350930242
Energy: 0.37716403841515306
Energy: -1.2926199683260007
Energy: 0.6405438130634175
Energy: 0.51049014056376
Energy: 0.6405438130647153
Energy: 0.51049014056376
Energy: 0.6405438130660132
Energy: 0.5104901405650578

minimum gb energy = -3.4156712638471616 eV
minimum distance =  2.37253919913988 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 0.43639942774008367
Energy: -1.9162522211343707
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Energy: -1.947654548584281
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Energy: -1.5966582912947394
Energy: 0.5417106057602321
Energy: -1.9690214650447266
Energy: 0.5417105930050393
Energy: -1.5958276289747484
Energy: 0.5559328672603611
Energy: -1.884697025306385
Energy: 0.5559328646240608
Energy: -2.0345523157063847
Energy: 0.5559328594209912
Energy: -0.9969100288628427
Energy: -1.409246265059446
Energy: -2.555576732316034
Energy: -1.3817039400964095
Energy: -2.0848036394292224
Energy: -1.341901909628897
Energy: -2.0632306714812225
Energy: -2.0344729183632784
Energy: -1.6857484778918939
Energy: -0.9878740557726214
Energy: -1.8621931654634565
Energy: -1.2360042235177044
Energy: -1.7300956930452698
Energy: -1.616555297812425
Energy: -1.1435203333083228
Energy: -1.6768129225155282
Energy: -2.178686385476819
Energy: -2.0787400665134004
Energy: 0.4144902645674603
Energy: 0.6317056987716679
Energy: 0.4145702488133727
Energy: 0.6317056598222072
Energy: -2.025305558057872
Energy: 0.6317055707990813
Energy: -0.950358524821253
Energy: -2.3851619597961156
Energy: -0.7658734477194902
Energy: -2.0403459045758514
Energy: -0.8933330210277274
Energy: -1.970797662901789
Energy: -1.5076815136389892
Energy: -2.0819866882311158
Energy: -1.6147302969055137
Energy: -2.2959156390558078
Energy: -1.516506182528848
Energy: -2.056931446042926
Energy: -1.942518358345702
Energy: -2.113772632533983
Energy: -2.2360889492080864
Energy: -2.459055153285567
Energy: -1.1442451543521697
Energy: -2.4547453393562035

minimum gb energy = -3.2232847210868014 eV
minimum distance =  2.30813009807844 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 1.0567226421454672
Energy: 1.0131132582919697
Energy: 1.0567226421454672
Energy: 1.0131132582919697
Energy: 1.0567226421454672
Energy: 1.013113258292984
Energy: 0.65358272573772
Energy: 0.9486949729790037
Energy: 0.6535827257255452
Energy: 0.9486949729790037
Energy: 0.6535827256545252
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Energy: 0.7910033975142414
Energy: 0.6700661410889044
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Energy: 1.0666894836202931
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Energy: 1.3051295352912042
Energy: 1.057689451727497
Energy: 1.0882026057273584
Energy: 0.6700581352002248
Energy: 0.7909647113559397
Energy: 0.6700581226443996
Energy: 0.790964711354925
Energy: 0.6700580855012267
Energy: 0.7909647113559397
Energy: 0.6526236333140236
Energy: 0.9487999665736416
Energy: 0.6526236333211256
Energy: 1.0221850190357928
Energy: 0.6526236332795742
Energy: 0.9428072911807747
Energy: 1.0567226421424236
Energy: 1.0131132582919697
Energy: 1.056722642143438
Energy: 1.0131132582909552
Energy: 1.056722642143438
Energy: 1.0131132582919697
Energy: 0.6535827257225015
Energy: 0.948694972983062
Energy: 0.6535827257062684
Energy: 0.948694972983062
Energy: 0.6535827256535107
Energy: 0.948694972983062
Energy: 0.6700661597314647
Energy: 0.7910033975132268
Energy: 0.6700661402400772
Energy: 0.7910033975132268
Energy: 0.6700660857888739
Energy: 0.7910033975132268
Energy: 1.057689451729526
Energy: 1.0764079667464728
Energy: 1.057689451729526
Energy: 1.3176873480076854
Energy: 1.0576894517285116
Energy: 1.0882026057314167
Energy: 0.6700581351870355
Energy: 0.7909647113539104
Energy: 0.6700581219537995
Energy: 0.7909647113528959
Energy: 0.6700580870254353
Energy: 0.7909647113539104
Energy: 0.6526236333211256
Energy: 0.9487999665736416
Energy: 0.6526236332947929
Energy: 0.9487999665736416
Energy: 0.6526236333119944
Energy: 0.9487999665736416
Energy: 1.0567226421454672
Energy: 1.013113258292984
Energy: 1.0567226421454672
Energy: 1.0131132582919697
Energy: 1.0567226421444524
Energy: 1.013113258292984
Energy: 0.6535827257356909
Energy: 0.9486949729779892
Energy: 0.6535827257103266
Energy: 0.9486949729790037
Energy: 0.6535827256555398
Energy: 0.9486949729790037
Energy: 0.6700661590874886
Energy: 0.7910033975142414
Energy: 0.6700661417429798
Energy: 0.7910033975122123
Energy: 0.6700660828002701
Energy: 0.7910033975132268
Energy: 1.0576894517264825
Energy: 1.1032649889080655
Energy: 1.057689451727497
Energy: 1.200636793584635
Energy: 1.057689451727497
Energy: 1.088202605735475
Energy: 0.670058135204283
Energy: 0.7909647113559397
Energy: 0.6700581229679095
Energy: 0.790964711354925
Energy: 0.6700580868864852
Energy: 0.7909647113559397

minimum gb energy = 0.6526236332795742 eV
minimum distance =  2.33892759610808 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 0.854525881345545
Energy: 0.945917100466499
Energy: 0.8545258813480303
Energy: 0.9459171004416848
Energy: 0.8545258813414032
Energy: 0.9459171003778986
Energy: 0.8663495488094097
Energy: 0.8866925419915336
Energy: -3.052525239218003
Energy: 0.8866925419940187
Energy: -2.4490602720450823
Energy: 0.8866925419915336
Energy: 0.8428111238518577
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Energy: 0.7834994697840449
Energy: -3.432203684263996
Energy: 0.7834993919802382
Energy: -3.489423696457902
Energy: 0.8056853928228404
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Energy: 0.8056790661769391
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Energy: 0.8049704708964115
Energy: 0.8449783570290669
Energy: 0.9199346740233121
Energy: 0.7866850560504479
Energy: 0.9199307032805187
Energy: 0.7866833711796626
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Energy: 1.030780211204783
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Energy: 1.0307802071573635
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Energy: -1.0877515892110525
Energy: 0.862131701601363
Energy: -1.0961340571375744
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Energy: 0.8539985559162603
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Energy: -1.3678566966949288
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Energy: 0.8022082325009123
Energy: -1.7325532298329904
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Energy: 0.956527011731655
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Energy: 0.9565270097087925
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Energy: -0.9720579744802766
Energy: -1.666295228616575
Energy: 0.7980333456807864
Energy: 0.9525785513662344
Energy: 0.7980333456178662
Energy: 0.9525785513513232
Energy: 0.7980333454704497
Energy: 0.9525785513173967
Energy: 0.785077267647072
Energy: 0.9180996401519407
Energy: 0.7850772616157622
Energy: 0.9180996392212402
Energy: 0.7850772438819204
Energy: 0.9180996375113976
Energy: -1.0944472169469857
Energy: 0.8588377568443558
Energy: -1.0935640735125522
Energy: 0.8588377568443558
Energy: -1.0970031979220414
Energy: 0.8588377568460127
Energy: 0.9049018254165335
Energy: 0.8083487643546929
Energy: 0.9049018254190189
Energy: 0.8083487643513794
Energy: 0.9049018254198472
Energy: 0.8083487643538646
Energy: 0.8438320412414739
Energy: 0.8856740252687191
Energy: 0.843832041164471
Energy: 0.8856740252612636
Energy: 0.843832041016226
Energy: 0.8856740252488376
Energy: 1.042359715306848
Energy: 0.7338950828229129
Energy: 1.04235871373976
Energy: -3.4161038452144843
Energy: 1.0423561993822255
Energy: -3.4075854856966177

minimum gb energy = -3.489423696457902 eV
minimum distance =  2.29443936593791 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: -0.3575335362746507
Energy: 0.945863528328666
Energy: -1.0774626209849352
Energy: 0.9458629911127872
Energy: -0.5406520576514751
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Energy: -1.095027198951234
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Energy: -2.784873928274518
Energy: 0.8923380450183238
Energy: 0.3180152380480045
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Energy: 0.3176810849602497
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Energy: -1.4570286192038837
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Energy: -0.8326188998584757
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Energy: 1.126266702535429
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Energy: -0.6915388498909721
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Energy: -0.8575536277716166
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Energy: -0.9029442405565633
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Energy: -0.8270933178960026
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Energy: -2.2678808288141252
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Energy: 0.8938419661004458
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Energy: -1.7968100098212556
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Energy: -0.5565373389036197
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Energy: -0.5875773048877145
Energy: 0.34602266174063334
Energy: -1.5613229727005355
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Energy: -2.7031909037788866
Energy: 0.34438870056552684
Energy: -0.538312275610457
Energy: 0.8923380734618248
Energy: -0.8335114812363073
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Energy: -0.6067356357458128
Energy: 0.8923380514577275
Energy: 0.31801332565398527
Energy: 0.8309742391818901
Energy: 0.3103297677793725
Energy: 0.8309733399877327
Energy: 0.3176018369681681
Energy: 0.8309711933054718
Energy: -1.5433622822927562
Energy: 0.9691117005726174
Energy: -1.7171039968354873
Energy: 0.9691116769011329
Energy: -1.7173669221521337
Energy: 0.9691116293989571
Energy: 1.1262667025368254
Energy: -0.7143360426608297
Energy: 1.1262667024900725
Energy: -2.284635432246759
Energy: 1.1262667023832682
Energy: -0.6811539801212771

minimum gb energy = -3.940440239922318 eV
minimum distance =  2.33711642759522 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 0.6522252478533557
Energy: 0.8835194910839406
Energy: 0.660679480868745
Energy: 0.8835194911731195
Energy: 0.6607106395570858
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Energy: -0.643556113549933
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Energy: -0.4405951713451026
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Energy: -0.43255775171932825
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Energy: -0.4535595748387825
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Energy: -0.652499285247421
Energy: -0.794900898609475
Energy: -0.7008113314379653
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Energy: -0.7562252138185047
Energy: -0.7451559886931982
Energy: -1.2926407360402843
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Energy: -0.4277768403894129
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Energy: -0.830208568678006
Energy: -0.6437522580187001
Energy: -0.8075909333011069
Energy: -1.6376018313595109

minimum gb energy = -2.015605534760932 eV
minimum distance =  2.3095593407899 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

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Energy: -0.2577745595548749
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Energy: -0.2569628977884432
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Energy: -0.38772777052353413
Energy: 1.063196678908072
Energy: -0.38772777054785873
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Energy: -0.3877277704790274
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Energy: -0.0535353932435463
Energy: 0.804734482125632
Energy: -0.12112417860718631
Energy: 0.8047344821213932
Energy: -2.4466827081338844
Energy: 0.8087657496508597
Energy: 0.7952921077227736
Energy: 0.8087657496243673
Energy: 0.795292107724893
Energy: 0.8087657495481183
Energy: 0.7952921077233035
Energy: -0.5753758988724459
Energy: -0.3225200278281263
Energy: -0.3922687217925178
Energy: -0.33260006928955593
Energy: -0.39241246903381993
Energy: -1.212616480818799
Energy: 0.14827464879422986
Energy: -0.20694728592365955
Energy: 0.17073024819142824
Energy: -0.2069472858087319
Energy: 0.11937455589009908
Energy: -0.20694728544646415

minimum gb energy = -2.9265006616069003 eV
minimum distance =  2.27140346543848 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.018205234811706366
Energy: 0.6393995350173965
Energy: 0.018205234811706366
Energy: 0.6393995350173965
Energy: 0.018205234812146597
Energy: 0.6393995350178368
Energy: 0.01893112298428553
Energy: -3.6539004922240537
Energy: 0.01893112298428553
Energy: -3.6539004922240537
Energy: 0.01893112298428553
Energy: -3.6539004922240537
Energy: 0.6306665538181787
Energy: -3.6529352181382797
Energy: 1.4419704124873385
Energy: -3.6529352181373995
Energy: 1.7799375890124522
Energy: -3.6529352181378396
Energy: 0.01893112298511707
Energy: -3.6539004922236136
Energy: 0.018931122984725757
Energy: -3.6539004922236136
Energy: 0.01893112298511707
Energy: -3.6539004922236136

minimum gb energy = -3.6539004922240537 eV
minimum distance =  2.46605659652155 Angstroms
sigma value = 1