Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Fe__MO_147603128437_004
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.863848514854908
cohesive_energy=4.177572505228375
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.014578166188017088
Energy: 0.015830841396726532
Energy: 0.024427797675637946
Energy: 1.7159153327298247
Energy: 0.0244277976758735
Energy: 0.015830841396726532
Energy: 0.014578166186865473
Energy: 0.015830841395810473
Energy: 0.024427797676109062
Energy: 1.7159153327291445
Energy: 0.7664951540528009
Energy: 0.016756980459977033
Energy: 0.017260897951557753
Energy: 0.7580929029221031
Energy: 0.017260897951112807
Energy: 0.016756980456522186
Energy: 0.7664951540523559
Energy: 0.016756980459270363
Energy: 0.017260897950641695
Energy: 0.7580929029221031
Energy: 0.014578166187545972
Energy: 0.015830841398323088
Energy: 0.024427797674957445
Energy: 1.715915332728909
Energy: 0.024427797676109062
Energy: 0.015830841397171478
Energy: 0.014578166187074857
Energy: 0.015830841396490974
Energy: 0.024427797676344617
Energy: 1.7159153327291445
Energy: 0.7664951540525654
Energy: 0.016756980457883187
Energy: 0.017260897951793308
Energy: 0.7580929029221031
Energy: 0.017260897950641695
Energy: 0.016756980460186418
Energy: 0.7664951540530365
Energy: 0.016756980464792882
Energy: 0.017260897951112807
Energy: 0.7580929029227836
Energy: 0.014578166188017088
Energy: 0.015830841398113707
Energy: 0.024427797675637946
Energy: 1.71591533272938
Energy: 0.024427797675637946
Energy: 0.015830841395810473
Energy: 0.014578166186865473
Energy: 0.015830841397642594
Energy: 0.024427797676344617
Energy: 1.715915332728464
Energy: 0.7664951540523559
Energy: 0.016756980461102477
Energy: 0.017260897951793308
Energy: 0.7580929029225743
Energy: 0.017260897951112807
Energy: 0.016756980460893092
Energy: 0.7664951540521203
Energy: 0.016756980461809148
Energy: 0.017260897950406136
Energy: 0.7580929029218675
Energy: 0.014578166187545972
Energy: 0.01583084139855865
Energy: 0.024427797675193
Energy: 1.7159153327291445
Energy: 0.024427797676789566
Energy: 0.015830841398323088
Energy: 0.014578166187074857
Energy: 0.01583084139696209
Energy: 0.024427797676789566
Energy: 1.715915332728909

minimum gb energy = 0.014578166186865473 eV
minimum distance =  2.28575442763103 Angstroms
sigma value = 3


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

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Energy: 1.4209491634255818
Energy: 1.4740566490943914
Energy: 1.548834681278415
Energy: 1.449016457574827
Energy: 1.412594634429824
Energy: 1.5349142995196774
Energy: 1.4209491634317877
Energy: 1.4740566491034182
Energy: 1.539460743888071
Energy: 1.404169792600818
Energy: 1.4087638073376105
Energy: 1.4404014101521059
Energy: 1.45648811890995
Energy: 1.4167995778129079
Energy: 1.3903834546948142
Energy: 1.4041697926019465
Energy: 1.4087638073347895
Energy: 1.4404014101543625
Energy: 1.4564881189054366
Energy: 1.4045188912309148
Energy: 1.372464266592156
Energy: 1.397963112981676
Energy: 1.3272984841387334
Energy: 1.354813602804538
Energy: 1.3364841501198013
Energy: 1.4045188912309148
Energy: 1.3875537712783577
Energy: 1.3979631129867536
Energy: 1.3272984841381692
Energy: 1.3465779465997976
Energy: 1.334467761712195
Energy: 1.355890641095836
Energy: 1.3848970551965007
Energy: 1.3556894602361123
Energy: 1.383490070960808
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Energy: 1.334467761712195
Energy: 1.3558906410873732
Energy: 1.38489705519368
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Energy: 1.4181766807238776
Energy: 1.354491553546859
Energy: 1.3982988629522415
Energy: 1.378256554907602
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Energy: 1.4181766807266474
Energy: 1.3544915535553215
Energy: 1.398298862957319
Energy: 1.342887327415937
Energy: 1.3487298105310093
Energy: 1.3385451668196124
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Energy: 1.3395977892048205
Energy: 1.3680083432428984
Energy: 1.327322154045079
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Energy: 1.3384667147318963
Energy: 1.3550003525783936
Energy: 1.3561938916701854
Energy: 1.3186143897315674
Energy: 1.3946663048809003
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Energy: 1.3452670789629335
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Energy: 1.3186143897315674
Energy: 1.3946663048837213
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Energy: 1.4746503735291596
Energy: 1.4933282645385615
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Energy: 1.4748437268208794
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Energy: 1.460187636806303
Energy: 1.4547651189742747
Energy: 1.5483870652959142
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Energy: 1.3702005266539397
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Energy: 1.355207557357508
Energy: 1.3301719690693499
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Energy: 1.3702005266545036
Energy: 1.331462413470186
Energy: 1.3552075573614573
Energy: 1.3301719690727347
Energy: 1.3683059506332287
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Energy: 1.34500147561437
Energy: 1.3601388390849798
Energy: 1.3800944132283848
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Energy: 1.3683059506354855
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Energy: 1.3450014756092925
Energy: 1.3601388390861082
Energy: 1.3932319126855766
Energy: 1.4328174280035133
Energy: 1.4168695091456616
Energy: 1.3423210371040337
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Energy: 1.3861360098454525
Energy: 1.3932319126827557
Energy: 1.4328174280063344
Energy: 1.416869509141148
Energy: 1.342321037104598
Energy: 1.4359919977643074
Energy: 1.46390898521465
Energy: 1.4268309013610279
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Energy: 1.4914751409405616
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Energy: 1.4494189800627242
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Energy: 1.386916217280109
Energy: 1.4075393948646926
Energy: 1.4597031153164444
Energy: 1.4494189800593393
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Energy: 1.401790352561237
Energy: 1.3649306848423817
Energy: 1.3664588619338143
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Energy: 1.3649306848446383
Energy: 1.3664588619326858
Energy: 1.3809686910999723
Energy: 1.3713770367932545
Energy: 1.3547988944042302
Energy: 1.345376177067705
Energy: 1.3428761943493956
Energy: 1.370191538104197
Energy: 1.338565544094908
Energy: 1.371377036792126
Energy: 1.354798894410436
Energy: 1.3453761770739108
Energy: 1.3428761943510883
Energy: 1.3320403104116851
Energy: 1.3425879842352872
Energy: 1.3596969695379213
Energy: 1.358172318811498
Energy: 1.3414098386107516
Energy: 1.3590224445682748
Energy: 1.3320403104037866
Energy: 1.342587984240365
Energy: 1.359696969539614
Energy: 1.3581723188160113
Energy: 1.3754448514322248
Energy: 1.3661061614192318
Energy: 1.3366787512129972
Energy: 1.3460442998546998
Energy: 1.387394452644679
Energy: 1.3458156186776702
Energy: 1.375444851426019
Energy: 1.3661061614186676
Energy: 1.3366787512175107
Energy: 1.346044299842852
Energy: 1.374251908481272
Energy: 1.3874279505888434
Energy: 1.3335373744564565
Energy: 1.3999885236480414
Energy: 1.3677810850914331
Energy: 1.451060014526714
Energy: 1.3742519084762457
Energy: 1.3874279505933569
Energy: 1.3335373744519428
Energy: 1.399988523646913
Energy: 1.446214513646483
Energy: 1.4743181316589156
Energy: 1.3358581877901636
Energy: 1.392229186185057
Energy: 1.3490745535728688
Energy: 1.4100519197449723
Energy: 1.4462145136380204
Energy: 1.4743181316589156
Energy: 1.3358581877907276
Energy: 1.392229186178287
Energy: 1.5488346812699525
Energy: 1.4487485026579856
Energy: 1.4785603727789118
Energy: 1.4923632238953184
Energy: 1.4209491634244533
Energy: 1.4740566490893139
Energy: 1.5488346812755942
Energy: 1.4487485026562927
Energy: 1.4785603727800398
Energy: 1.4923632238964466
Energy: 1.45648811890318
Energy: 1.4167995778089584
Energy: 1.3903834546880438
Energy: 1.4041697925940482
Energy: 1.4087638073342252
Energy: 1.4404014101515414
Energy: 1.4564881189060006
Energy: 1.416799577810651
Energy: 1.3903834546897365
Energy: 1.4041697926064598
Energy: 1.3742519084807077
Energy: 1.3548136028107438
Energy: 1.3364841501198013
Energy: 1.4045188912416342
Energy: 1.3187621075372618
Energy: 1.3979631129850612
Energy: 1.374251908483529
Energy: 1.354813602815257
Energy: 1.33648415011816
Energy: 1.4045188912365565
Energy: 1.3848970551919872
Energy: 1.3556894602372405
Energy: 1.3375610165534404
Energy: 1.346577946596413
Energy: 1.3344677617110665
Energy: 1.3558906410935792
Energy: 1.3848970551965007
Energy: 1.3556894602434464
Energy: 1.3375610165562615
Energy: 1.3465779465997976

minimum gb energy = 1.3186143897315674 eV
minimum distance =  2.30353026680949 Angstroms
sigma value = 75


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

Energy: 1.4898488711065452
Energy: 1.3755189209166798
Energy: 1.3430916756828928
Energy: 1.363817438919593
Energy: 1.3427519198779143
Energy: 1.3580878896021515
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Energy: 1.4048779082569065
Energy: 1.3453779043815863
Energy: 1.3907321635155323
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minimum gb energy = 1.3117526335442424 eV
minimum distance =  2.27757789810224 Angstroms
sigma value = 105


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

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Energy: 1.433264936073117
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Energy: 1.4322684667344383
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Energy: 1.4312395811507106
Energy: 1.423695306726684
Energy: 1.4829604668390086
Energy: 1.4676804282580074
Energy: 1.4505417063411126
Energy: 1.4880778514458255
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Energy: 1.4236953067316531
Energy: 1.482960466841493
Energy: 1.4676804282592497
Energy: 1.4505417063395598
Energy: 1.4699276980013498
Energy: 1.4829113483396144
Energy: 1.4686209523365241
Energy: 1.4238638323843684
Energy: 1.5719447380179534
Energy: 1.431534749261524
Energy: 1.4699276979985547
Energy: 1.4829113483408565
Energy: 1.4686209523423965
Energy: 1.4238638323821944
Energy: 1.4755883987822416
Energy: 1.421186697399242
Energy: 1.4862457564813922
Energy: 1.5452885226902306
Energy: 1.4595175084411875
Energy: 1.4649700838458297
Energy: 1.47558839878131
Energy: 1.4211866973955154
Energy: 1.4862457564835663
Energy: 1.5452885226917834
Energy: 1.4339591086865364
Energy: 1.437802994615795
Energy: 1.4399005143656516
Energy: 1.4313062036367519
Energy: 1.42775290048454
Energy: 1.4327635313890998
Energy: 1.433959108680946
Energy: 1.4378029946176587
Energy: 1.439900514360993
Energy: 1.4313062036364417
Energy: 1.4323111819097059
Energy: 1.4865821517132396
Energy: 1.435687193559965
Energy: 1.4888975820617494
Energy: 1.4333222633082936
Energy: 1.4848178303120725
Energy: 1.4323111819112584
Energy: 1.4865821517141713
Energy: 1.4356871935587228
Energy: 1.4888975820577401
Energy: 1.4316072870798544
Energy: 1.5129530555122621
Energy: 1.426285072927087
Energy: 1.440284903536883
Energy: 1.4156958097548256
Energy: 1.4688175332914644
Energy: 1.4316072870755063
Energy: 1.5129530555091566
Energy: 1.4262850729199439
Energy: 1.4402849035347092

minimum gb energy = 1.1934074401302082 eV
minimum distance =  2.28405252321193 Angstroms
sigma value = 165


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

Energy: 1.4939945342971577
Energy: 1.5096167939756486
Energy: 1.4393246528196983
Energy: 1.4732608694184617
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Energy: 1.5096315310589759
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Energy: 1.4399525187043942
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Energy: 1.5185629763744732
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Energy: 1.4479589994543998
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Energy: 1.4494480077302592
Energy: 1.4683861647810919
Energy: 1.4728218024550237
Energy: 1.449982129431256
Energy: 1.4479589994533335
Energy: 1.450181892037265
Energy: 1.4494480077302592
Energy: 1.4588051213564177
Energy: 1.480796118532374
Energy: 1.5180406653234475
Energy: 1.4723369080617328
Energy: 1.4802868924742785
Energy: 1.448143438445295
Energy: 1.4588051213585498
Energy: 1.480796118532374
Energy: 1.518040665326646
Energy: 1.4723369080638649
Energy: 1.4723838635334618
Energy: 1.4424400019311239
Energy: 1.4483435400738145
Energy: 1.4424394620787169
Energy: 1.4505175034617894
Energy: 1.468313483889527
Energy: 1.4723838635313293
Energy: 1.4424400019311239
Energy: 1.4483435400738145
Energy: 1.4424394620787169
Energy: 1.5072253390492087
Energy: 1.4392502491679757
Energy: 1.5096315310579094
Energy: 1.4939945342992902
Energy: 1.5096167939767149
Energy: 1.439324652821831
Energy: 1.5072253079366817
Energy: 1.439250249169042
Energy: 1.509631531054711
Energy: 1.493994534300356

minimum gb energy = 1.439240053483098 eV
minimum distance =  2.28723469356941 Angstroms
sigma value = 41


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

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Energy: 1.1126841957276894
Energy: 1.2200885880142132
Energy: 1.2505011178043386
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Energy: 1.2165232842548421
Energy: 1.1469333825359789
Energy: 1.1618820022600407
Energy: 1.1787986491523164
Energy: 1.1760416515208971
Energy: 1.1462849849835208
Energy: 1.2165232842548421
Energy: 1.1469333825363925
Energy: 1.1618820022571448
Energy: 1.1448282673102141
Energy: 1.1443015959433296
Energy: 1.2079628603046957
Energy: 1.2030427698680048
Energy: 1.1778559596564662
Energy: 1.2058333555585772
Energy: 1.1448282673126964
Energy: 1.1443015959272338
Energy: 1.2079628603096597
Energy: 1.2030427698605586
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Energy: 1.2499504793908456
Energy: 1.2131535790960277
Energy: 1.1451837579260762
Energy: 1.1452735238170182
Energy: 1.150490921220341
Energy: 1.1471731933330416
Energy: 1.2499504793900182
Energy: 1.2131535790960277
Energy: 1.145183757922353
Energy: 1.123429379027177
Energy: 1.1245077537540733
Energy: 1.1443417042039805
Energy: 1.1445719727765105
Energy: 1.21746763688676
Energy: 1.1328043412634559
Energy: 1.1234293790317276
Energy: 1.124507753749523
Energy: 1.1443417042093582
Energy: 1.1445719727669958
Energy: 1.175837934959101
Energy: 1.2473707837894226
Energy: 1.2167717980067185
Energy: 1.124877469628458
Energy: 1.2211164831498091
Energy: 1.1748057363536561
Energy: 1.1758379349673747
Energy: 1.2473707837873542
Energy: 1.2167717979996862
Energy: 1.1248774696268034
Energy: 1.2203258940476294
Energy: 1.1678582013984475
Energy: 1.2866426113694125
Energy: 1.1913762941883201
Energy: 1.2035123952339348
Energy: 1.1513250357360285
Energy: 1.2203258940472157
Energy: 1.1678582013939345
Energy: 1.2866426113636211
Energy: 1.1913762941970072
Energy: 1.1447484714227163
Energy: 1.309470740526947
Energy: 1.2506705270087355
Energy: 1.1464726546277295
Energy: 1.1449182291399949
Energy: 1.1821789407499916
Energy: 1.1447484714292977
Energy: 1.3094707405232242
Energy: 1.250670527007908
Energy: 1.146472654627316
Energy: 1.1411793617185104
Energy: 1.1254193092102631
Energy: 1.126192154686155
Energy: 1.126938914998802
Energy: 1.1348863857967362
Energy: 1.2335513577354662
Energy: 1.1411793617143737
Energy: 1.1254193092148135
Energy: 1.1261921546878098
Energy: 1.1269389150033526
Energy: 1.1752521180707596
Energy: 1.2085412520160603
Energy: 1.251162482741275
Energy: 1.2171469127874892
Energy: 1.1239433088518147
Energy: 1.145088846291173
Energy: 1.1752521180732418
Energy: 1.2085412520272292
Energy: 1.2511624827474803
Energy: 1.2171469127829386
Energy: 1.1498560954740789
Energy: 1.2133300979506774
Energy: 1.1453655743008677
Energy: 1.1441781022366928
Energy: 1.2347889573308533
Energy: 1.14650292946165
Energy: 1.1498560954794566
Energy: 1.213330097956055
Energy: 1.1453655742975586
Energy: 1.1441781022420705
Energy: 1.197665158686347
Energy: 1.144924430168243
Energy: 1.1475231844637257
Energy: 1.1465281805457541
Energy: 1.1464242745822029
Energy: 1.1453767499581053
Energy: 1.1976651586946205
Energy: 1.1449244301670018
Energy: 1.147523184466621
Energy: 1.146528180542031
Energy: 1.1456003354541893
Energy: 1.1373055652471067
Energy: 1.1672000284812472
Energy: 1.1756010057736503
Energy: 1.241857720385117
Energy: 1.2690437625633793
Energy: 1.145600335457085
Energy: 1.1373055652512436
Energy: 1.1672000284779376
Energy: 1.1756010057724091
Energy: 1.1696430420116724
Energy: 1.1765419416550644
Energy: 1.2555994950908869
Energy: 1.1753800358395659
Energy: 1.2817533657381386
Energy: 1.1494475172294751
Energy: 1.16964304201705
Energy: 1.176541941651755
Energy: 1.2555994950929552
Energy: 1.1753800358354292

minimum gb energy = 1.0746302754099741 eV
minimum distance =  2.30015918524818 Angstroms
sigma value = 185


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

Energy: 1.6058275030754665
Energy: 1.625689828017855
Energy: 1.6219279433696379
Energy: 1.6036910492380638
Energy: 1.6220450068050143
Energy: 1.6464326640342637
Energy: 1.6058275030774307
Energy: 1.625689828015891
Energy: 1.6219279433725398
Energy: 1.6152811709433987
Energy: 1.6867435312749468
Energy: 1.6209501146815684
Energy: 1.6138561157519251
Energy: 1.6517361879034111
Energy: 1.6379300046064127
Energy: 1.5697231699446088
Energy: 1.6867435312734735
Energy: 1.6209501146859877
Energy: 1.6138561157543805
Energy: 1.6517361879078307
Energy: 1.6457181087372241
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Energy: 1.5443414539206628
Energy: 1.622207588974384
Energy: 1.618119163539897
Energy: 1.6016664890136862
Energy: 1.645718108733787
Energy: 1.633825433614127
Energy: 1.5443414539186988
Energy: 1.6222075889788035
Energy: 1.6128464307724708
Energy: 1.6176808024680691
Energy: 1.5977255044343237
Energy: 1.6151160237231605
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Energy: 1.6176808024695424
Energy: 1.5977255044343237
Energy: 1.6151160237216877
Energy: 1.6055404998213127
Energy: 1.6142889821240607
Energy: 1.5857580899784922
Energy: 1.6371430121176624
Energy: 1.5970102062076612
Energy: 1.6505944937647656
Energy: 1.6055404998173841
Energy: 1.6142889821216053
Energy: 1.585758089975546
Energy: 1.6371430121201174
Energy: 1.613341091570417
Energy: 1.6219760034997306
Energy: 1.5901764061844552
Energy: 1.6496636059401917
Energy: 1.595361400268432
Energy: 1.5675290119053558
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Energy: 1.621976003500713
Energy: 1.5390218420996984
Energy: 1.6496636059426468
Energy: 1.5678924397611798
Energy: 1.6041364239093225
Energy: 1.6218325652212529
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Energy: 1.5841889963504874
Energy: 1.6444463837331147
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Energy: 1.6218325652207617
Energy: 1.56966507486117
Energy: 1.7137990038152928
Energy: 1.6587533202669777
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Energy: 1.5575041189615983
Energy: 1.6216799496079126
Energy: 1.6115825954757703
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Energy: 1.5575041189635628
Energy: 1.6153495650602478
Energy: 1.6490031619768803
Energy: 1.6182255007733113
Energy: 1.5835580364119906
Energy: 1.6561196040663069
Energy: 1.5679820535674516
Energy: 1.6153495650641763
Energy: 1.6490031619783534
Energy: 1.6182255007742934
Energy: 1.5835580364090445
Energy: 1.6153595755096641
Energy: 1.538174564489429
Energy: 1.6328360311858139
Energy: 1.542747174299134
Energy: 1.5823606041991236
Energy: 1.636064225476237
Energy: 1.6153595755121193
Energy: 1.5381745644948306
Energy: 1.63283603118876
Energy: 1.542747174291277
Energy: 1.5183003865285742
Energy: 1.614061890607632
Energy: 1.5772698758085701
Energy: 1.7141428886034036
Energy: 1.563138220006622
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Energy: 1.5183003865266098
Energy: 1.6140618906105786
Energy: 1.5772698758046417
Energy: 1.7141428886004573
Energy: 1.5984930360155383
Energy: 1.6220604629478257
Energy: 1.608133242107658
Energy: 1.6482847414931596
Energy: 1.6256898280188372
Energy: 1.6219279433720486
Energy: 1.6474765242683675
Energy: 1.6220604629488076
Energy: 1.6513803332894454
Energy: 1.649434936079816
Energy: 1.6517361879034111
Energy: 1.6379300046005647
Energy: 1.5631382200036756
Energy: 1.713371108759396
Energy: 1.6209501146874608
Energy: 1.613856115750452
Energy: 1.651736187901447
Energy: 1.6379300046019933
Energy: 1.5631382200061308
Energy: 1.7133711087618064
Energy: 1.6191915662370142
Energy: 1.6181191635413703
Energy: 1.6166347188598695
Energy: 1.645718108733787
Energy: 1.6341849601407643
Energy: 1.5381745644953218
Energy: 1.619191566236523
Energy: 1.6181191635457899
Energy: 1.6166347188603605
Energy: 1.64571810873526
Energy: 1.6152854581666591
Energy: 1.6034264393797493
Energy: 1.5949703499514505
Energy: 1.577138582113321
Energy: 1.6180870148168223
Energy: 1.6264184524434748
Energy: 1.615285458167641
Energy: 1.6034264393822042
Energy: 1.5949703499514505
Energy: 1.5771385821069375
Energy: 1.6371430121191355
Energy: 1.5825223113454252
Energy: 1.6215072529566505
Energy: 1.605540499823768
Energy: 1.6142889821314261
Energy: 1.585758089978001
Energy: 1.6371430121215906
Energy: 1.5825223113468982
Energy: 1.6215072529497756
Energy: 1.60554049982475
Energy: 1.6496636059460843
Energy: 1.5839312992654664
Energy: 1.5779106135356842
Energy: 1.5637216093548514
Energy: 1.6219760034972757
Energy: 1.6117798720752499
Energy: 1.6496636059485397
Energy: 1.5839312992664483
Energy: 1.5779106135371574
Energy: 1.5790448941441806
Energy: 1.6433104966175196
Energy: 1.5931732491214987
Energy: 1.6444463837360612
Energy: 1.5538703082084668
Energy: 1.6013152906333417
Energy: 1.6218153139146394
Energy: 1.6033623977684284
Energy: 1.593173249124936
Energy: 1.644446383737534
Energy: 1.5538703082006102
Energy: 1.6149079326730011
Energy: 1.6504727581173742
Energy: 1.608969440685463
Energy: 1.7137990038133284
Energy: 1.6299085241467421
Energy: 1.6142321709151959
Energy: 1.6149079326774207
Energy: 1.6504727581163923
Energy: 1.6089694406879183
Energy: 1.7137990038118551
Energy: 1.6975767885031006
Energy: 1.6543235941104346
Energy: 1.5679820535689248
Energy: 1.6153495650661405
Energy: 1.6490031619773713
Energy: 1.6182255007762578
Energy: 1.697576788495735
Energy: 1.6543235941109258
Energy: 1.5679820535669606
Energy: 1.6153495650661405
Energy: 1.5432895273749778
Energy: 1.5823606041981415
Energy: 1.6364048765788726
Energy: 1.6153595755140835
Energy: 1.544341453921154
Energy: 1.632836031187287
Energy: 1.5432895273852902
Energy: 1.5823606041961775
Energy: 1.6364048765808366
Energy: 1.6153595755145744
Energy: 1.691029927561109
Energy: 1.5697231699451
Energy: 1.6394087628139697
Energy: 1.6464485179234205
Energy: 1.614038143600271
Energy: 1.6210525755300194
Energy: 1.6910299275645464
Energy: 1.569723169946082
Energy: 1.6394087628129876
Energy: 1.6464485179180188
Energy: 1.605827503079886
Energy: 1.625689828015891
Energy: 1.621927943370129
Energy: 1.6116873724905052
Energy: 1.6220450068084515
Energy: 1.5522641335545604
Energy: 1.6058275030769396
Energy: 1.6256898280149086
Energy: 1.6219279433725398
Energy: 1.5624504704205007
Energy: 1.6867435312729826
Energy: 1.6209501146835323
Energy: 1.6138561157519251
Energy: 1.651736187901447
Energy: 1.6379300046064127
Energy: 1.5697231699480463
Energy: 1.6867435312734735
Energy: 1.6209501146859877
Energy: 1.6138561157558535
Energy: 1.6517361879083219
Energy: 1.645718108735751
Energy: 1.6338254336156
Energy: 1.544341453921154
Energy: 1.6222075889763483
Energy: 1.6181191635418615
Energy: 1.6016664890092667
Energy: 1.6457181087303496
Energy: 1.6338254336106894
Energy: 1.5443414539236093
Energy: 1.6222075889802765
Energy: 1.612846430775908
Energy: 1.6176808024695424
Energy: 1.5977255044367786
Energy: 1.6151160237236517
Energy: 1.6292415913804752
Energy: 1.626908807070337
Energy: 1.612846430776399
Energy: 1.6176808024705247
Energy: 1.5977255044397252
Energy: 1.6151160237241429
Energy: 1.6055404998198395
Energy: 1.6142889821265158
Energy: 1.585758089977019
Energy: 1.637143012114716
Energy: 1.5970102062110985
Energy: 1.6505944937632924
Energy: 1.6055404998159113
Energy: 1.614288982127498
Energy: 1.5857580899799655
Energy: 1.6371430121215906
Energy: 1.5719095346485357
Energy: 1.6219760034967845
Energy: 1.5390218420982251
Energy: 1.6496636059421557
Energy: 1.595361400269414
Energy: 1.5675290119112484
Energy: 1.5719095346475538
Energy: 1.6219760034972757
Energy: 1.5390218421021535
Energy: 1.649663605943629
Energy: 1.5678924397621619
Energy: 1.604136423911778
Energy: 1.6218325652202705
Energy: 1.6433104966189926
Energy: 1.5841889963543714
Energy: 1.6444463837321326
Energy: 1.5678924397601977
Energy: 1.6041364239103046
Energy: 1.6218325652221903
Energy: 1.6433104966199747
Energy: 1.7137990038143105
Energy: 1.658753320269924
Energy: 1.614388752302347
Energy: 1.557504118967
Energy: 1.6216799496093859
Energy: 1.6115825954811718
Energy: 1.7137990038138193
Energy: 1.6587533202655047
Energy: 1.6143887523052933
Energy: 1.5575041189635628
Energy: 1.6153495650602478
Energy: 1.6490031619793355
Energy: 1.6182255007728203
Energy: 1.5835580364159192
Energy: 1.6561196040648336
Energy: 1.56798205357138
Energy: 1.615349565062703
Energy: 1.6490031619778625
Energy: 1.6182255007728203
Energy: 1.5835580364105173
Energy: 1.6153595755126104
Energy: 1.5381745644923754
Energy: 1.6328360311843406
Energy: 1.5427471742937324
Energy: 1.5823606042001057
Energy: 1.6360642254796742
Energy: 1.6153595755140835
Energy: 1.538174564496795
Energy: 1.6328360311892511
Energy: 1.542747174288822
Energy: 1.5183003865300473
Energy: 1.61406189060665
Energy: 1.5772698758110253
Energy: 1.7141428886014394
Energy: 1.5631382200022024
Energy: 1.6338972096656939
Energy: 1.5183003865290652
Energy: 1.6140618906081232
Energy: 1.5772698758080792
Energy: 1.7141428886034036

minimum gb energy = 1.5183003865266098 eV
minimum distance =  2.23459382945653 Angstroms
sigma value = 33


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

Energy: 1.448535733878999
Energy: 1.5435677748903769
Energy: 1.4308592597793126
Energy: 1.6781391519465354
Energy: 1.4312776052670426
Energy: 1.5334996939998817
Energy: 1.4485357338749554
Energy: 1.543567774897386
Energy: 1.4308592597801213
Energy: 1.5797610279899768
Energy: 1.6483038045649587
Energy: 1.4375785180187972
Energy: 1.4317118298937432
Energy: 1.4454205022998683
Energy: 1.44446189961042
Energy: 1.4343975984498347
Energy: 1.6483038045673848
Energy: 1.4375785180166403
Energy: 1.4317118298945521
Energy: 1.4454205022977116
Energy: 1.5386934813236413
Energy: 1.4375085442314885
Energy: 1.4391753077256408
Energy: 1.6266600793574717
Energy: 1.4442503665442468
Energy: 1.441010884613689
Energy: 1.5386934813309194
Energy: 1.4375085442287925
Energy: 1.4391753077296598
Energy: 1.6266600793612458
Energy: 1.458663500015932
Energy: 1.437471849014431
Energy: 1.4362561649364372
Energy: 1.4311174030058107
Energy: 1.4638923639168542
Energy: 1.6355186364213203
Energy: 1.4586635000108104
Energy: 1.4374718490249199
Energy: 1.4362561649288892
Energy: 1.4311174030033844
Energy: 1.4399423758138377
Energy: 1.437625274487396
Energy: 1.440105604048685
Energy: 1.6356580843049484
Energy: 1.4853256157493635
Energy: 1.432948100537302
Energy: 1.439942375814377
Energy: 1.4376252744852396
Energy: 1.440105604043833
Energy: 1.63565808430414
Energy: 1.618836441631242
Energy: 1.4374494948078347
Energy: 1.4781645342418537
Energy: 1.433714876060537
Energy: 1.4442730726355903
Energy: 1.6462780594174469
Energy: 1.6188364416395988
Energy: 1.437449494810261
Energy: 1.4781645342423928
Energy: 1.433714876060537
Energy: 1.4316885100650703
Energy: 1.4614829074429334
Energy: 1.667876270686917
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Energy: 1.4444238137536607
Energy: 1.4454153107887728
Energy: 1.431688510070192
Energy: 1.4614829074423943
Energy: 1.6678762706852994
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Energy: 1.4311592867131526
Energy: 1.5562534750037118
Energy: 1.4486102077267087
Energy: 1.4420536494016694
Energy: 1.431220325887664
Energy: 1.5071198744304555
Energy: 1.4311592867080305
Energy: 1.556253475004251
Energy: 1.4486102077218563
Energy: 1.4420536494003218
Energy: 1.4443444096793747
Energy: 1.4412696970334387
Energy: 1.668966933074584
Energy: 1.452887286143604
Energy: 1.4317539057816422
Energy: 1.4450306911228106
Energy: 1.4443444096777573
Energy: 1.4412696970320906
Energy: 1.6689669330791668
Energy: 1.4528872861438735
Energy: 1.4443002447767297
Energy: 1.4314459593565434
Energy: 1.5384940606547772
Energy: 1.4375027708477934
Energy: 1.4572461834251034
Energy: 1.5642976433195808
Energy: 1.4443002447672948
Energy: 1.4314459593587
Energy: 1.5384940606572033
Energy: 1.4375027708518369
Energy: 1.5057006348656048
Energy: 1.4328766538197983
Energy: 1.5695507508102413
Energy: 1.4375027343759381
Energy: 1.4438346914143725
Energy: 1.4296118996284646
Energy: 1.5057006348559
Energy: 1.4328766538273463
Energy: 1.569550750807815
Energy: 1.4375027343694682
Energy: 1.4629065485556463
Energy: 1.4328586753875077
Energy: 1.4395931782850144
Energy: 1.4375902043602822
Energy: 1.4699975274773445
Energy: 1.6359837216804691
Energy: 1.4629065485599593
Energy: 1.4328586753926296
Energy: 1.439593178284745
Energy: 1.4375902043570474
Energy: 1.444344571628912
Energy: 1.45788079760301
Energy: 1.6186760690922106
Energy: 1.4374532597460041
Energy: 1.464208598654545
Energy: 1.4338539710320015
Energy: 1.4443445716318772
Energy: 1.4578807976019315
Energy: 1.6186760690846629
Energy: 1.4374532597414214
Energy: 1.444352725540833
Energy: 1.445028585412183
Energy: 1.4314691930250765
Energy: 1.5268168798580193
Energy: 1.6781629723801978
Energy: 1.463758209244512
Energy: 1.4443527255429895
Energy: 1.4450285854119136
Energy: 1.431469193028581
Energy: 1.52681687986395
Energy: 1.4313605571181742
Energy: 1.42667368902248
Energy: 1.4385516570895862
Energy: 1.6130879756447685
Energy: 1.4607612130775403
Energy: 1.431497736736985
Energy: 1.4313605571176353
Energy: 1.4266736890208627
Energy: 1.4385516570882386
Energy: 1.613087975644499
Energy: 1.4316610128767204
Energy: 1.4446513471432914
Energy: 1.4443742855070776
Energy: 1.4351483948716002
Energy: 1.4436311173159257
Energy: 1.4500908525032297
Energy: 1.4316610128826508
Energy: 1.4446513471443696
Energy: 1.4443742855059993
Energy: 1.4351483948637827
Energy: 1.4512966591186758
Energy: 1.6356761146781247
Energy: 1.4443796685243069
Energy: 1.4414554896809528
Energy: 1.4165834303702343
Energy: 1.43757325485304
Energy: 1.4512966591197545
Energy: 1.6356761146721943
Energy: 1.4443796685245764
Energy: 1.4414554896769092
Energy: 1.4453648282101976
Energy: 1.4491009802842973
Energy: 1.5057160691303992
Energy: 1.4332774265472006
Energy: 1.569691487151751
Energy: 1.4374536152244535
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Energy: 1.4443095569636504
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Energy: 1.4153519749647785
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Energy: 1.4407116754968605
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Energy: 1.431556482419915
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Energy: 1.696527026964785
Energy: 1.690001064406005
Energy: 1.4312059821829188
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Energy: 1.4478879490591658
Energy: 1.4393228496794868
Energy: 1.4295498267959381
Energy: 1.4492430744089462
Energy: 1.4312059821842666
Energy: 1.4601182807495738
Energy: 1.4478879490556613
Energy: 1.4393228496883828
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Energy: 1.4326681961467123
Energy: 1.4293342299410978
Energy: 1.4410289662067168
Energy: 1.4295443616289323
Energy: 1.438006248892591
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Energy: 1.4293342299424459
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Energy: 1.681179136974233
Energy: 1.4849882882820824
Energy: 1.4328796738033545
Energy: 1.4308488636046799
Energy: 1.4327958616753311

minimum gb energy = 1.4153519749623524 eV
minimum distance =  2.26435976119753 Angstroms
sigma value = 219


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

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Energy: 1.1883377547986023
Energy: 1.1862630466804507
Energy: 1.2303107920210592
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Energy: 1.1603812296453238
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Energy: 1.0800234717753001
Energy: 1.1622683641683562
Energy: 1.1869354308872204
Energy: 1.1880957315435323
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Energy: 1.2466395092922282
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Energy: 1.1869354308873825
Energy: 1.1880957315435323
Energy: 1.18707963270819
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Energy: 1.1881040006767827
Energy: 1.1870796327072985
Energy: 1.2046570556456198
Energy: 1.1864952448863395
Energy: 1.358559076217553

minimum gb energy = 1.079975348463539 eV
minimum distance =  2.30614708974742 Angstroms
sigma value = 15


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

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Energy: 1.6297545116497316
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Energy: 1.675963044364726
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Energy: 1.6032973744275594
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Energy: 1.6653589147461882
Energy: 1.629589082494658
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minimum gb energy = 1.6007183236253746 eV
minimum distance =  2.26046039912269 Angstroms
sigma value = 293


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

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Energy: 1.6462393008959622
Energy: 1.6790554949009178
Energy: 1.7253610960572883
Energy: 1.5435353324541883
Energy: 1.7976094918436532
Energy: 1.581254017655751
Energy: 1.64505965699061
Energy: 1.6790554949005148
Energy: 1.5433820825196398
Energy: 1.7076753675539922
Energy: 1.7249780446550793
Energy: 1.6357391363990486
Energy: 1.6272656907548415
Energy: 1.6962646931980858
Energy: 1.5433820825188338
Energy: 1.7076753675539922
Energy: 1.7249780446558853
Energy: 1.6357391363974365
Energy: 1.7119339843755814
Energy: 1.66387746293066
Energy: 1.6640577776763203
Energy: 1.7324026360331388
Energy: 1.6640556390270467
Energy: 1.6637968322354029
Energy: 1.7119339843767902
Energy: 1.6638774629302573
Energy: 1.6640577776747083
Energy: 1.7324026360359595
Energy: 1.5433922504392024
Energy: 1.6963845353722047
Energy: 1.6276720523530794
Energy: 1.6357219040086002
Energy: 1.725001097298962
Energy: 1.7076692058078906
Energy: 1.5433922504392024
Energy: 1.6963845353722047
Energy: 1.6276720523514674
Energy: 1.6357219040061823
Energy: 1.6809275686396634
Energy: 1.5436226138281517
Energy: 1.7254233779553025
Energy: 1.6789238668217925
Energy: 1.6463520479084683
Energy: 1.5812703820950071
Energy: 1.7976159565756435
Energy: 1.5436226138273454
Energy: 1.7254233779512727
Energy: 1.6789238668250164
Energy: 1.6872258436551342
Energy: 1.5435200443014092
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Energy: 1.6655407514542664
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Energy: 1.6805682988498984
Energy: 1.687225843652313
Energy: 1.543520044305036
Energy: 1.5953614913987295
Energy: 1.6655407514574903
Energy: 1.6156369034150673
Energy: 1.8274883293316002
Energy: 1.699304861014498
Energy: 1.561052753695452
Energy: 1.6753344136230668
Energy: 1.6106970753359329
Energy: 1.6156369034178881
Energy: 1.8274883293324065
Energy: 1.69930486101611
Energy: 1.561052753694646
Energy: 1.6379004742783982
Energy: 1.614309223693395
Energy: 1.5787442482184162
Energy: 1.7217963397260692
Energy: 1.6519574575577916
Energy: 1.6618368553974057
Energy: 1.637900474281622
Energy: 1.614309223695007
Energy: 1.5787442482216403
Energy: 1.7217963397288902
Energy: 1.6062049053010148
Energy: 1.6196529744547425
Energy: 1.5828719146008818
Energy: 1.6676888258115419
Energy: 1.526807594515129
Energy: 1.7474167556854994
Energy: 1.6062049052985967
Energy: 1.619652974459175
Energy: 1.5828719146012846
Energy: 1.6676888258139597
Energy: 1.646513011872814
Energy: 1.7406293192165192
Energy: 1.7406251978285128
Energy: 1.646474299014422
Energy: 1.6201532931109621
Energy: 1.620151255676024
Energy: 1.646513011874829
Energy: 1.7406293192149072
Energy: 1.740625197824886
Energy: 1.6464742990180123
Energy: 1.6678262498051366
Energy: 1.5828848430888776
Energy: 1.6196090255109616
Energy: 1.6062429772774993
Energy: 1.747519433948085
Energy: 1.5267126998534093
Energy: 1.6678262498031216
Energy: 1.5828848430904894
Energy: 1.6196090255101556
Energy: 1.6062429772787081
Energy: 1.7218716077858076
Energy: 1.5787493826028878
Energy: 1.61430359397902
Energy: 1.637902411249903
Energy: 1.6617992246971185
Energy: 1.6519033564093824
Energy: 1.7218716077858076
Energy: 1.5787493826057086
Energy: 1.6143035939786168
Energy: 1.6379024112494998
Energy: 1.561017579684665
Energy: 1.6992838570631066
Energy: 1.827488329340869
Energy: 1.6154343705264076
Energy: 1.6106877672297117
Energy: 1.6753344136182309
Energy: 1.5610175796854706
Energy: 1.6992838570631066
Energy: 1.8274883293376452
Energy: 1.6154343705300342
Energy: 1.6655060117693035
Energy: 1.5953222377955953
Energy: 1.5435068625704242
Energy: 1.687313266238899
Energy: 1.6805319808994652
Energy: 1.671604982147849
Energy: 1.6655060117701093
Energy: 1.5953222377972074
Energy: 1.5435068625712305
Energy: 1.6873132662372872

minimum gb energy = 1.5267126998534093 eV
minimum distance =  2.2614510362666 Angstroms
sigma value = 293


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

Energy: 1.1163056902959665
Energy: 1.2646707846442888
Energy: 1.2646758707905785
Energy: 1.4205552049004335
Energy: 1.2646753001823163
Energy: 1.5709886894584675
Energy: 1.1163056902966946
Energy: 1.2646707846435608
Energy: 1.2646758707898498
Energy: 1.779283972848169
Energy: 1.2647107619619788
Energy: 1.6223151118265988
Energy: 1.2647901434475988
Energy: 1.4072541952827637
Energy: 1.7888588303140622
Energy: 1.2622648006177952
Energy: 1.2647107619619788
Energy: 1.6223151118273271
Energy: 1.2647901434475988
Energy: 1.6423412483985065
Energy: 1.2864799891043923
Energy: 1.1164070510218318
Energy: 1.8544497359197536
Energy: 1.115863936587607
Energy: 1.2978044223707534
Energy: 1.2618829130336526
Energy: 1.2864799891051204
Energy: 1.1164070510247452
Energy: 1.8544497359190253
Energy: 1.1158639365861505
Energy: 1.8551736169579087
Energy: 1.1164344297763207
Energy: 1.286723063053095
Energy: 1.2618900958819403
Energy: 1.297804271816372
Energy: 1.1158405864986556
Energy: 1.8551736169557238
Energy: 1.116434429774864
Energy: 1.2867230630545519
Energy: 1.2618900958812118
Energy: 1.2647881384080635
Energy: 1.6511881730089002
Energy: 1.2647239668939143
Energy: 1.2622553503687617
Energy: 1.7888740722304641
Energy: 1.4676339516322694
Energy: 1.264788138408792
Energy: 1.878425259231711
Energy: 1.2647239668917292
Energy: 1.2622553503680332
Energy: 1.2646753001830444
Energy: 1.384218522765575
Energy: 1.1163056902959665
Energy: 1.2646707846450174
Energy: 1.2646758707913066
Energy: 1.4205552048989767
Energy: 1.2646753001815876
Energy: 1.264594268574085
Energy: 1.116305690299608
Energy: 1.2646707846428322
Energy: 1.7888588303140622
Energy: 1.2622648006163384
Energy: 1.2647107619619788
Energy: 1.6223151118265988
Energy: 1.2647901434468705
Energy: 1.5696397253549648
Energy: 1.7888588303133337
Energy: 1.2622648006134252
Energy: 1.2647107619612505
Energy: 1.6223151118280554
Energy: 1.2978044223685683
Energy: 1.2618829130358376
Energy: 1.2864799891022067
Energy: 1.1164070510218318
Energy: 1.8544497359197536
Energy: 1.115863936583237
Energy: 1.2978044223692968
Energy: 1.2618829130336526
Energy: 1.2864799891051204
Energy: 1.1164070510247452
Energy: 1.2978042718192855
Energy: 1.115840586499384
Energy: 1.8551736169586373
Energy: 1.1164344297755924
Energy: 1.2867230630523667
Energy: 1.2618900958819403
Energy: 1.2978042718178289
Energy: 1.1158405864942853
Energy: 1.8551736169571806
Energy: 1.1164344297763207
Energy: 1.7888740722304641
Energy: 1.4676339516329975
Energy: 1.2647881384073352
Energy: 1.6511881730089002
Energy: 1.2647239668939143
Energy: 1.2622553503723701
Energy: 1.7888740722304641
Energy: 1.4676339516329975
Energy: 1.2647881384080635
Energy: 1.8784252592266124
Energy: 1.2646758707898498
Energy: 1.4083061066312705
Energy: 1.2646753001830444
Energy: 1.5709886894613807
Energy: 1.1163056902945099
Energy: 1.2646707846435608
Energy: 1.2646758707905785
Energy: 1.4205552048989767
Energy: 1.2646753001815876
Energy: 1.264594268574085
Energy: 1.2647901434461422
Energy: 1.5696397253578782
Energy: 1.7888588303133337
Energy: 1.2622648006177952
Energy: 1.2647107619619788
Energy: 1.6223151118258703
Energy: 1.2647901434461422
Energy: 1.642341248394865
Energy: 1.7888588303140622
Energy: 1.262264800617067
Energy: 1.8544497359190253
Energy: 1.1158639365839653
Energy: 1.297804422370025
Energy: 1.2618829130358376
Energy: 1.2864799891051204
Energy: 1.1164070510218318
Energy: 1.8544497359197536
Energy: 1.1158639365839653
Energy: 1.2978044223685683
Energy: 1.2618829130336526
Energy: 1.2867230630523667
Energy: 1.2618900958797554
Energy: 1.2978042718178289
Energy: 1.1158405864964707
Energy: 1.8551736169571806
Energy: 1.116434429774864
Energy: 1.2867230630538236
Energy: 1.2618900958812118
Energy: 1.297804271816372
Energy: 1.115840586491372
Energy: 1.2647239668917292
Energy: 1.2622553503723701
Energy: 1.7888740722304641
Energy: 1.4676339516329975
Energy: 1.2647881384073352
Energy: 1.6511881730081719
Energy: 1.2647239668939143
Energy: 1.262255350371642
Energy: 1.7888740722311924
Energy: 1.4676339516329975
Energy: 1.1163056903003366
Energy: 1.2646707846428322
Energy: 1.2646758707905785
Energy: 1.4083061066254439
Energy: 1.2646753001830444
Energy: 1.2645942685689866
Energy: 1.1163056902966946
Energy: 1.2646707846442888
Energy: 1.2646758707920351
Energy: 1.4205552048997048
Energy: 1.2647107619619788
Energy: 1.8968256517349127
Energy: 1.2647901434454136
Energy: 1.6423412483985065
Energy: 1.7888588303140622
Energy: 1.26226480061561
Energy: 1.2647107619627072
Energy: 1.6223151118265988
Energy: 1.2647901434461422
Energy: 1.642341248394865
Energy: 1.2864799891043923
Energy: 1.1164070510254736
Energy: 1.8544497359190253
Energy: 1.1158639365883356
Energy: 1.297804422367112
Energy: 1.2618829130358376
Energy: 1.2864799891036636
Energy: 1.1164070510218318
Energy: 1.8544497359197536
Energy: 1.115863936589064
Energy: 1.8551736169579087
Energy: 1.116434429774864
Energy: 1.2867230630538236
Energy: 1.2618900958804835
Energy: 1.2978042718199807
Energy: 1.1158405864986556
Energy: 1.8551736169571806
Energy: 1.116434429774864
Energy: 1.2867230630574653
Energy: 1.2618900958812118
Energy: 1.264788138408792
Energy: 1.6511881730096285
Energy: 1.2647239668910006
Energy: 1.26225535036949
Energy: 1.7888740722304641
Energy: 1.4676339516322694
Energy: 1.2647881384080635
Energy: 1.6511881730074434
Energy: 1.2647239668939143
Energy: 1.2622553503702183
Energy: 1.2646753001823163
Energy: 1.264594268574085
Energy: 1.1163056902981514
Energy: 1.2646707846435608
Energy: 1.2646758707905785
Energy: 1.408306106627629
Energy: 1.2646753001837727
Energy: 1.2645942685682583
Energy: 1.116305690295238
Energy: 1.2646707846450174
Energy: 1.7888588303133337
Energy: 1.26226480061561
Energy: 1.2647107619619788
Energy: 1.8968256517305426
Energy: 1.2647901434461422
Energy: 1.6423412483977784
Energy: 1.7888588303133337
Energy: 1.2622648006148818
Energy: 1.2647107619627072
Energy: 1.6223151118258703

minimum gb energy = 1.115840586491372 eV
minimum distance =  2.32783335925377 Angstroms
sigma value = 15


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

Energy: 1.4416066072280302
Energy: 1.2311705111556588
Energy: 1.4289678470784652
Energy: 1.6099889408702546
Energy: 1.4289680686746475
Energy: 1.2312133930373113
Energy: 1.4416066072277
Energy: 1.2311705111583
Energy: 1.4289678470784652
Energy: 1.5163338646928024
Energy: 1.391770283220757
Energy: 1.4686327900506502
Energy: 1.4306022646286556
Energy: 1.4140109415667501
Energy: 1.439540399565818
Energy: 1.36999444955887
Energy: 1.3917702832197667
Energy: 1.4686327900499898
Energy: 1.4306022646332777
Energy: 1.4140109415634485
Energy: 1.5360954449411837
Energy: 1.321342275067549
Energy: 1.362912354384518
Energy: 1.4462083904444276
Energy: 1.274088584416446
Energy: 1.4952068774189433
Energy: 1.5360954449411837
Energy: 1.3213422750708506
Energy: 1.3629123543868293
Energy: 1.446208390443437
Energy: 1.5803756031269056
Energy: 1.3208201825843888
Energy: 1.422976519464498
Energy: 1.2554188436867955
Energy: 1.5133364502695221
Energy: 1.3696504343873583
Energy: 1.5803756031255851
Energy: 1.3208201825817476
Energy: 1.422976519464498
Energy: 1.255418843687786
Energy: 1.1969647312021838
Energy: 1.476606839991421
Energy: 1.3531443222229258
Energy: 1.3188076035775527
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Energy: 1.3254957506293792
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Energy: 1.6191286277666395
Energy: 1.3531443222219353
Energy: 1.3188076035801939
Energy: 1.197211318449576
Energy: 1.572809365204294
Energy: 1.4005342823981635
Energy: 1.2542555542573095
Energy: 1.3892362151849564
Energy: 1.278116934374422
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Energy: 1.400534282397503
Energy: 1.2542555542589602
Energy: 1.4614232528775293
Energy: 1.2061900405649277
Energy: 1.2568704614105564
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Energy: 1.296425434861505
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Energy: 1.4614232528795104
Energy: 1.2061900405662482
Energy: 1.2568704614105564
Energy: 1.4580411038284535
Energy: 1.2558361023071507
Energy: 1.3076152861323416
Energy: 1.4331018227186056
Energy: 1.404266952548611
Energy: 1.3567611127541712
Energy: 1.4473867160177563
Energy: 1.255836102308441
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Energy: 1.4042669525482807
Energy: 1.2539948464535031
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Energy: 1.523179139544463
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Energy: 1.2984939236645239
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Energy: 1.4114595726556105
Energy: 1.5231791395424819
Energy: 1.431085761639274
Energy: 1.4030986090063666
Energy: 1.4743147431132735
Energy: 1.3078148932813412
Energy: 1.587842358903433
Energy: 1.4304185920120287
Energy: 1.466980922348822
Energy: 1.403098609005376
Energy: 1.4743147431142638
Energy: 1.3078148932823315
Energy: 1.5878423589021122
Energy: 1.3898218187281528
Energy: 1.480113481819736
Energy: 1.2067815367192325
Energy: 1.5098701202363978
Energy: 1.2364353948297255
Energy: 1.4692717611168706
Energy: 1.3898218187281528
Energy: 1.4801134818187456
Energy: 1.2067815367222037
Energy: 1.5098701202350773
Energy: 1.3904917577514966
Energy: 1.401640093769984
Energy: 1.4375503521199242
Energy: 1.3345333592613278
Energy: 1.435372190747779
Energy: 1.3905399572756574
Energy: 1.390491757752817
Energy: 1.4016400937670128
Energy: 1.4375503521202544
Energy: 1.3345333592603372
Energy: 1.2986861661709301
Energy: 1.2122968647024701
Energy: 1.5964383546376688
Energy: 1.1976729749581847
Energy: 1.371371100266418
Energy: 1.3705171514245758
Energy: 1.2986861661712603
Energy: 1.2122968647014796
Energy: 1.5964383546406402
Energy: 1.1976729749588448
Energy: 1.254487962855369
Energy: 1.538833379573779
Energy: 1.320766288929939
Energy: 1.4428181420847064
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Energy: 1.2741203664369742
Energy: 1.2544879628547088
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Energy: 1.4428181420853667
Energy: 1.4481870588316719
Energy: 1.5995636988968496
Energy: 1.1776059097455889
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Energy: 1.4124817663671847
Energy: 1.537078911108099
Energy: 1.4481870588296908
Energy: 1.59956369889751
Energy: 1.1776059097495508
Energy: 1.3729418507221163
Energy: 1.274210845758478
Energy: 1.4477908563618749
Energy: 1.5663467619514766
Energy: 1.4777466839112317
Energy: 1.2352107518010933
Energy: 1.4380051061517725
Energy: 1.2742108457574877
Energy: 1.4477908563589035
Energy: 1.5663467619514766
Energy: 1.4777466839122222
Energy: 1.4186556201976823
Energy: 1.4251793749335757
Energy: 1.296027518741239
Energy: 1.295765429211167
Energy: 1.576814550256804
Energy: 1.448180559999852
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Energy: 1.2957654292095162
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Energy: 1.4420738757862785
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Energy: 1.4259559868715255
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Energy: 1.4420738757856182
Energy: 1.4253484926721731
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Energy: 1.2552499230615026
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Energy: 1.4691748357277734
Energy: 1.3706176632048912
Energy: 1.438620826808408
Energy: 1.3333608102917955
Energy: 1.4974787126141211
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Energy: 1.4691748357267829
Energy: 1.3706176632019196
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Energy: 1.3333608102937766
Energy: 1.2549478114734343
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Energy: 1.5510802036845783
Energy: 1.1970246160161402
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Energy: 1.4004659712408916
Energy: 1.2549478114737642
Energy: 1.430476693568512
Energy: 1.5510802036858689
Energy: 1.197024616019442
Energy: 1.4550281197373636
Energy: 1.3899939885754777
Energy: 1.447935934836257
Energy: 1.4647399763598827
Energy: 1.4102380758141226
Energy: 1.3535075349231906
Energy: 1.4550281197354127
Energy: 1.3899939885754777
Energy: 1.4479359348385683
Energy: 1.4647399763595526
Energy: 1.4312653979278775
Energy: 1.436347719000694
Energy: 1.2356466756686495
Energy: 1.2398957552130572
Energy: 1.3076368191028334
Energy: 1.5766805057047193
Energy: 1.4312653979282075
Energy: 1.436347718999043
Energy: 1.2356466756686495
Energy: 1.2398957552123968
Energy: 1.4313960888744068
Energy: 1.296454202688968
Energy: 1.2968329602541808
Energy: 1.4406282255620801
Energy: 1.2063673406190822
Energy: 1.4518920201223284
Energy: 1.431396088876388
Energy: 1.2964542026876476
Energy: 1.2968329602568223
Energy: 1.4406282255620801
Energy: 1.429714157891578
Energy: 1.3892075160533508
Energy: 1.46840333975171
Energy: 1.402971501457541
Energy: 1.564668098620738
Energy: 1.307082588729201
Energy: 1.4297141578945491
Energy: 1.3892075160533508
Energy: 1.4684033397500593
Energy: 1.4029715014601822
Energy: 1.3800289319947245
Energy: 1.2773771663637423
Energy: 1.4871722984021116
Energy: 1.25401011954069
Energy: 1.5738575086970181
Energy: 1.3072864931806696
Energy: 1.4222000930824865
Energy: 1.2773771663614313
Energy: 1.4871722984014515
Energy: 1.25401011954069
Energy: 1.2367089657653154
Energy: 1.297321433555558
Energy: 1.3904663904421513
Energy: 1.296931954571988
Energy: 1.211797318852722
Energy: 1.4738404015356097
Energy: 1.236708965762344
Energy: 1.2973214335598504
Energy: 1.39046639043954
Energy: 1.296931954567036
Energy: 1.4243712347656032
Energy: 1.3723973932515687
Energy: 1.4459360507216117
Energy: 1.4247276139242402
Energy: 1.211743010262493
Energy: 1.536030743205672
Energy: 1.4243712347642825
Energy: 1.372397393251899
Energy: 1.4459360507262342
Energy: 1.4247276139219294
Energy: 1.2366681161084803
Energy: 1.6031081057201582
Energy: 1.2741532088906269
Energy: 1.2540309236350946
Energy: 1.6174111697026163
Energy: 1.3856502859025168
Energy: 1.2366681161071595
Energy: 1.6031081057208183
Energy: 1.274153208888646
Energy: 1.2540309236344342
Energy: 1.3918070358536534
Energy: 1.4130289111038674
Energy: 1.37724825268058
Energy: 1.2539830469163489
Energy: 1.3534774810092565
Energy: 1.3970890440417558
Energy: 1.3918070358529933
Energy: 1.4130289111035372
Energy: 1.376567216157613
Energy: 1.25398304691833
Energy: 1.4572816122434669
Energy: 1.4143108912557625
Energy: 1.4140288794984015
Energy: 1.2743764714875094
Energy: 1.274730746554903
Energy: 1.3943485033162801
Energy: 1.4572816122451175
Energy: 1.414310891254442
Energy: 1.4140288794964204
Energy: 1.274376471486189
Energy: 1.1938914054563947
Energy: 1.5150944755613271
Energy: 1.4461429752037318
Energy: 1.489284454946998
Energy: 1.4886500720921723
Energy: 1.4666663327513776
Energy: 1.193891405457385
Energy: 1.5150944755646287
Energy: 1.4461429752073636
Energy: 1.4892844549499695
Energy: 1.1935873753410937
Energy: 1.5799954351486754
Energy: 1.4241856103436028
Energy: 1.490254011808776
Energy: 1.36965786265452
Energy: 1.5071438361922347
Energy: 1.1935873753420847
Energy: 1.5799954351447134
Energy: 1.4241856103455837
Energy: 1.4902540118120777
Energy: 1.3926395972830012
Energy: 1.217913955737136
Energy: 1.460545702779934
Energy: 1.2746296097296692
Energy: 1.3568180189207009
Energy: 1.4131526144743818
Energy: 1.3926395972816805
Energy: 1.2179139557361456
Energy: 1.460545702777623
Energy: 1.2746296097296692
Energy: 1.5567540273934244
Energy: 1.1780696634371517
Energy: 1.3533320678186733
Energy: 1.254545459751769
Energy: 1.485296505365136
Energy: 1.4140480390176065
Energy: 1.5567540273934244
Energy: 1.1780696634394632
Energy: 1.3533320678173524
Energy: 1.2545454597514387
Energy: 1.3376323500821428
Energy: 1.3865169871110519
Energy: 1.6186901560083136
Energy: 1.468818166325089
Energy: 1.2746203684359936
Energy: 1.604794832945146
Energy: 1.3376323500821428
Energy: 1.3865169871130327
Energy: 1.6186901560076532
Energy: 1.468818166322778
Energy: 1.1979327257997123
Energy: 1.4297468417741395
Energy: 1.4015057867285379
Energy: 1.5724687867000673
Energy: 1.4474061972778867
Energy: 1.5867339617408773
Energy: 1.1979327258043344
Energy: 1.4297468417744696
Energy: 1.4015057867301886
Energy: 1.572468786699737
Energy: 1.4086519307003107
Energy: 1.5094803741185914
Energy: 1.2123908261404703
Energy: 1.2964443407362551
Energy: 1.3898122179122636
Energy: 1.468315693208627
Energy: 1.4086519307019616
Energy: 1.5094803741149594
Energy: 1.2123908261404703
Energy: 1.2964443407392268
Energy: 1.3123702401619066
Energy: 1.307672290757076
Energy: 1.5872054437513277
Energy: 1.4305603140904795
Energy: 1.5184493597705337
Energy: 1.235743208681585
Energy: 1.3123702401635573
Energy: 1.3076722907557552
Energy: 1.5872054437500065
Energy: 1.4305603140937808
Energy: 1.4527429780925776
Energy: 1.2067825343547751
Energy: 1.5025965950747155
Energy: 1.4040004239801929
Energy: 1.4694411278488648
Energy: 1.3898229705942873
Energy: 1.4527429780909267
Energy: 1.2067825343557657
Energy: 1.5025965950793378
Energy: 1.4040004239782118
Energy: 1.4043916257941294
Energy: 1.4518544485090716
Energy: 1.2064685937664787
Energy: 1.297808760921432
Energy: 1.2974911994424612
Energy: 1.2965939003348441
Energy: 1.4043916257964404
Energy: 1.4518544485136937
Energy: 1.2064685937687898
Energy: 1.2978087609204414
Energy: 1.430783018667791
Energy: 1.596238125675249
Energy: 1.3080045389418162
Energy: 1.3133930046008992
Energy: 1.236344840115736
Energy: 1.29854661282791
Energy: 1.4307830186674608
Energy: 1.596238125675909
Energy: 1.3080045389428065
Energy: 1.3133930045969375
Energy: 1.4557276672481263
Energy: 1.2124367285811175
Energy: 1.488082949569246
Energy: 1.5803307515916196
Energy: 1.4484273307788926
Energy: 1.3890325308455793
Energy: 1.4557276672444945
Energy: 1.2124367285807873
Energy: 1.4880829495659442
Energy: 1.5803307515936003
Energy: 1.5118954788931167
Energy: 1.401216744802418
Energy: 1.3725416933193568
Energy: 1.1976551806782574
Energy: 1.6152342388981766
Energy: 1.4482447626519352
Energy: 1.5118954788944374
Energy: 1.4012167447971355
Energy: 1.3725416933190266
Energy: 1.1976551806759463
Energy: 1.4691577286005866
Energy: 1.423443065589275
Energy: 1.425500310374393
Energy: 1.3343114237951275
Energy: 1.607716117207156
Energy: 1.3696220218173356
Energy: 1.469157728601247
Energy: 1.4234430655909258
Energy: 1.425500310376044
Energy: 1.33431142380041
Energy: 1.255103479481046
Energy: 1.3527445302284702
Energy: 1.177628654723525
Energy: 1.4090185928474719
Energy: 1.235026030314951
Energy: 1.3202406911889266
Energy: 1.2551034794797253
Energy: 1.3527445302271492
Energy: 1.1776286547205534
Energy: 1.4090185928468115
Energy: 1.2754232170977686
Energy: 1.320626223689152
Energy: 1.3212163380351019
Energy: 1.2766102668310275
Energy: 1.4125246685580963
Energy: 1.274110808803761
Energy: 1.2754232170977686
Energy: 1.320626223691133
Energy: 1.3212163380341115
Energy: 1.2766102668316877
Energy: 1.4919249478815158
Energy: 1.4252575383508077
Energy: 1.5804892306374878
Energy: 1.1931619511544949
Energy: 1.3918643834552358
Energy: 1.275582289106127
Energy: 1.4919249478821761
Energy: 1.4252575383491566
Energy: 1.5804892306401293
Energy: 1.1931619511531744

minimum gb energy = 1.1776059097455889 eV
minimum distance =  2.32513946377506 Angstroms
sigma value = 437


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

Energy: 1.3269038998961664
Energy: 1.4540056803439332
Energy: 1.4918989152102375
Energy: 1.8875576436841794
Energy: 1.491915953110408
Energy: 1.4541818991368545
Energy: 1.326903899893761
Energy: 1.4540056803415276
Energy: 1.4918989152114406
Energy: 1.5260690923241953
Energy: 1.3146951264505562
Energy: 1.430040869518152
Energy: 1.492039669029949
Energy: 1.3517012821549677
Energy: 1.418283711242833
Energy: 1.3509269812025564
Energy: 1.3146951264505562
Energy: 1.430040869516949
Energy: 1.4920396690287463
Energy: 1.351701282157373
Energy: 1.3114414941231232
Energy: 1.4553381627163655
Energy: 1.359425053748149
Energy: 1.4551369962109448
Energy: 1.4893553121254255
Energy: 1.3433890059768623
Energy: 1.3114414941231232
Energy: 1.4553381627151627
Energy: 1.3594250541088322
Energy: 1.4551369962097418
Energy: 1.3555254666004042
Energy: 1.4564227214096972
Energy: 1.491504969597349
Energy: 1.3505959545884516
Energy: 1.4951512719007343
Energy: 1.3507024333763042
Energy: 1.3555254665931873
Energy: 1.4564227214072913
Energy: 1.4915049695937406
Energy: 1.3505959545848434
Energy: 1.3113036616987233
Energy: 1.3556979872108277
Energy: 1.490526294172351
Energy: 1.5138523220721682
Energy: 1.3155239973016082
Energy: 1.3112803507815365
Energy: 1.311303661699926
Energy: 1.5140155962324304
Energy: 1.4905262941747563
Energy: 1.5138523220650058
Energy: 1.3098984486943632
Energy: 1.3554462556518907
Energy: 1.4125206501942709
Energy: 1.5139009703315132
Energy: 1.4124167659448352
Energy: 1.5148552463809524
Energy: 1.3098984486967689
Energy: 1.3554462556458766
Energy: 1.412520650193068
Energy: 1.5139009703363246
Energy: 1.3537364694225862
Energy: 1.455176958387442
Energy: 1.4260879268412183
Energy: 1.349517597728077
Energy: 1.4916726132307667
Energy: 1.4563061185531747
Energy: 1.3537364694249916
Energy: 1.455176958388645
Energy: 1.4260879268460296
Energy: 1.349517597728077
Energy: 1.4677833042505064
Energy: 1.4549314875965078
Energy: 1.4954386650662441
Energy: 1.3506396223323496
Energy: 1.3550325944087815
Energy: 1.454854189018561
Energy: 1.4677833042468982
Energy: 1.454931487601319
Energy: 1.4954386650662441
Energy: 1.350639622329944
Energy: 1.3087544489629093
Energy: 1.3501329162533837
Energy: 1.358267724855499
Energy: 1.4094223347748427
Energy: 1.4921735630394495
Energy: 1.4232001946765411
Energy: 1.3087544489641119
Energy: 1.3501329162497755
Energy: 1.358267724861513
Energy: 1.4094223347748427
Energy: 1.3856904327131048
Energy: 1.3261139589746538
Energy: 1.4123820065812043
Energy: 1.6705070264231696
Energy: 1.4916262443630928
Energy: 1.543369975681841
Energy: 1.3856904327106994
Energy: 1.3261139589782622
Energy: 1.412382006582407
Energy: 1.670507026419561
Energy: 1.3661135922643348
Energy: 1.3496724838218899
Energy: 1.4916827701556152
Energy: 1.3526998551391343
Energy: 1.422512122733554
Energy: 1.4575781955246379
Energy: 1.3661135922678884
Energy: 1.3496724838194842
Energy: 1.4916827701496012
Energy: 1.3526998551331204
Energy: 1.426256694209816
Energy: 1.4544641280325203
Energy: 1.379290180452427
Energy: 1.454633786021171
Energy: 1.379416314616121
Energy: 1.4543845147660843
Energy: 1.4262566942110189
Energy: 1.4544641280337232
Energy: 1.379290180452427
Energy: 1.454633786021171
Energy: 1.3659678280101297
Energy: 1.4572341202292163
Energy: 1.4225121227131057
Energy: 1.352697859420567
Energy: 1.4918203626413766
Energy: 1.349969903882208
Energy: 1.3659678280065215
Energy: 1.4572341202268109
Energy: 1.4225121227167143
Energy: 1.35269785941335
Energy: 1.3014319569920638
Energy: 1.5433690211885485
Energy: 1.4916011319958402
Energy: 1.670512951962622
Energy: 1.4119879317642325
Energy: 1.3250174880309935
Energy: 1.3014319569956723
Energy: 1.5433690211921571
Energy: 1.4916011319970428
Energy: 1.6705129519602162

minimum gb energy = 1.3014319569920638 eV
minimum distance =  2.3480041879153 Angstroms
sigma value = 33