Model name: model_name=Tersoff_LAMMPS_MuellerErhartAlbe_2007_Fe__MO_137964310702_004
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.860195450484753
cohesive_energy=4.280338510564498
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: 0.013217656964999075
Energy: 0.01360523937210017
Energy: 0.44047475472424025
Energy: 0.01360523937257331
Energy: 0.013217656964999075
Energy: 0.01360523937210017
Energy: 0.01360523937257331
Energy: 3.0179987562458135
Energy: 0.01360523937257331
Energy: 3.017998756245313
Energy: 0.01360523937257331
Energy: 3.0179987562448116
Energy: 0.44047475472474124
Energy: 0.01360523937257331
Energy: 0.013217656964999075
Energy: 0.01360523937257331
Energy: 0.44047475472424025
Energy: 0.01360523937257331
Energy: 0.01360523937210017
Energy: 3.0179987562448116
Energy: 0.01360523937210017
Energy: 3.0179987562458135
Energy: 0.01360523937210017
Energy: 3.0179987562458135
Energy: 0.013217656965500047
Energy: 0.01360523937257331
Energy: 0.44047475472424025
Energy: 0.01360523937210017
Energy: 0.013217656965500047
Energy: 0.01360523937257331
Energy: 0.01360523937210017
Energy: 3.0179987562448116
Energy: 0.01360523937257331
Energy: 3.0179987562443387
Energy: 0.01360523937210017
Energy: 3.0179987562448116

minimum gb energy = 0.013217656964999075 eV
minimum distance =  2.42391149090342 Angstroms
sigma value = 1


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

Energy: 1.3465001669267922
Energy: 1.6031740653882456
Energy: 1.2673467103756966
Energy: 1.6031740653882456
Energy: 1.3465001669255865
Energy: 1.6031740653882456
Energy: 1.350398214047721
Energy: 1.475927965464667
Energy: 1.8165085613412768
Energy: 1.4759279654658732
Energy: 1.350398214047721
Energy: 1.475927965464667
Energy: 1.2480222505408751
Energy: 1.5294371162074911
Energy: 1.3441978128702619
Energy: 1.5294371162074911
Energy: 1.248022250542081
Energy: 1.5294371162074911
Energy: 1.3787385984002962
Energy: 1.413570431508952
Energy: 1.63046943485287
Energy: 1.4135704315101583
Energy: 1.3787385983954727
Energy: 1.4135704315101583
Energy: 1.3793266446314925
Energy: 1.5946861554519645
Energy: 1.3775488552614163
Energy: 1.5946861554519645
Energy: 1.3793266446314925
Energy: 1.5946861554531704
Energy: 1.3424942856133277
Energy: 1.4737811355992194
Energy: 1.2448035522881813
Energy: 1.4737811356004253
Energy: 1.3424942856145337
Energy: 1.4737811356004253
Energy: 1.3425535594523847
Energy: 1.6091950189060493
Energy: 1.2440067554004597
Energy: 1.6091950189060493
Energy: 1.3425535594535905
Energy: 1.6091950189060493
Energy: 1.592817679421125
Energy: 1.6392200807671358
Energy: 1.6092886044857904
Energy: 1.6392200807671358
Energy: 1.592817679421125
Energy: 1.6392200807671358
Energy: 1.4771014772239386
Energy: 1.4051056287198311
Energy: 1.2801471620382296
Energy: 1.4051056287174193
Energy: 1.4771014772239386
Energy: 1.4051056287174193
Energy: 1.3461246663679645
Energy: 1.5336270359503898
Energy: 1.2444292623818993
Energy: 1.5336270359515958
Energy: 1.3461246663679645
Energy: 1.5336270359503898
Energy: 1.4209542262601293
Energy: 1.942059350772662
Energy: 1.5651923342717806
Energy: 1.942059350772662
Energy: 1.4209542262601293
Energy: 1.942059350773868
Energy: 1.2594563752574714
Energy: 1.5893943623741356
Energy: 1.2594443585893804
Energy: 1.5893943623729296
Energy: 1.2594563752562655
Energy: 1.5893943623741356
Energy: 1.5649851924315534
Energy: 1.942059350773868
Energy: 1.4209289370994278
Energy: 1.942059350773868
Energy: 1.5649851924315534
Energy: 1.942059350772662
Energy: 1.247119282282535
Energy: 1.5337016868763085
Energy: 1.3447718531104118
Energy: 1.5337016868775144
Energy: 1.2471192822813293
Energy: 1.5337016868763085
Energy: 1.2543510188601288
Energy: 1.4084468912848207
Energy: 1.476809673568294
Energy: 1.4084468912860266
Energy: 1.2543510188625404
Energy: 1.4084468912860266
Energy: 1.6091750999893766
Energy: 1.6395272427577547
Energy: 1.5925676635106036
Energy: 1.6395272427565486
Energy: 1.6091750999954062
Energy: 1.6395272427577547
Energy: 1.244335250694502
Energy: 1.6090984460629822
Energy: 1.34293931040132
Energy: 1.6090984460629822
Energy: 1.244335250694502
Energy: 1.6090984460641882
Energy: 1.2446079268878885
Energy: 1.4738141805185756
Energy: 1.3423242895573382
Energy: 1.47381418051737
Energy: 1.2446079268890946
Energy: 1.4738141805197815
Energy: 1.379569922608833
Energy: 1.595034452087076
Energy: 1.3792874757547546
Energy: 1.595034452088282
Energy: 1.379569922606421
Energy: 1.595034452087076
Energy: 1.6303221167492288
Energy: 1.4133780660687894
Energy: 1.4981445228988182
Energy: 1.4133780660675832
Energy: 1.6303221167492288
Energy: 1.4133780660687894
Energy: 1.349424525459961
Energy: 1.5942855383862495
Energy: 1.248509373920327
Energy: 1.5942855383862495
Energy: 1.349424525459961
Energy: 1.5942855383850436
Energy: 1.816784444118927
Energy: 1.475829043256635
Energy: 1.3504417139269138
Energy: 1.475829043256635
Energy: 1.8167844441201326
Energy: 1.475829043255429
Energy: 1.2673467103756966
Energy: 1.6031740653882456
Energy: 1.3465001669243806
Energy: 1.6031740653882456
Energy: 1.2673467103756966
Energy: 1.6031740653882456

minimum gb energy = 1.2440067554004597 eV
minimum distance =  2.26327240870193 Angstroms
sigma value = 33


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

Energy: 1.8162413310174714
Energy: 1.741643080872002
Energy: 1.3147599344573329
Energy: 1.741643080872002
Energy: 1.8162413310181575
Energy: 1.741643080872002
Energy: 1.3613043244320806
Energy: 1.5752846627800756
Energy: 1.7437762442378584
Energy: 1.5752846627800756
Energy: 1.3613043244334526
Energy: 1.5752846627807615
Energy: 1.3118617857641306
Energy: 1.7198422154400936
Energy: 1.532441588736467
Energy: 1.7198422154380362
Energy: 1.3118617857634447
Energy: 1.719842215439408
Energy: 1.3336816378443748
Energy: 1.517746542661226
Energy: 1.6019336859390607
Energy: 1.51774654266054
Energy: 1.3336816378464327
Energy: 1.517746542661226
Energy: 1.3333123872249464
Energy: 1.7580285043664239
Energy: 1.4867565023916356
Energy: 1.7580285043664239
Energy: 1.3333123872256325
Energy: 1.7580285043664239
Energy: 1.5178440056039793
Energy: 1.6356481800691887
Energy: 1.2996734021327032
Energy: 1.6356481800685028
Energy: 1.5178440056046654
Energy: 1.6356481800685028
Energy: 1.4511261305639727
Energy: 1.6899600175964857
Energy: 1.5527487625579057
Energy: 1.6899600175971716
Energy: 1.4511261305639727
Energy: 1.6899600175978575
Energy: 1.33070095185694
Energy: 1.659964976927224
Energy: 1.8065009555944882
Energy: 1.6599649769265383
Energy: 1.330700951856254
Energy: 1.6599649769265383
Energy: 1.4008598467089
Energy: 1.5045821521132288
Energy: 1.8715111237044177
Energy: 1.5045821521139144
Energy: 1.400859846709586
Energy: 1.5045821521125429
Energy: 1.3408964766580382
Energy: 1.7127985763497522
Energy: 1.333586630370057
Energy: 1.7127985763497522
Energy: 1.3408964766580382
Energy: 1.7127985763504385
Energy: 1.6017171448784548
Energy: 1.6635115517162682
Energy: 1.805894366430745
Energy: 1.6635115517155823
Energy: 1.601717144877083
Energy: 1.6635115517148966
Energy: 1.4707881433439873
Energy: 1.6697238930601939
Energy: 1.3542493680237473
Energy: 1.6697238930601939
Energy: 1.4707881433439873
Energy: 1.6697238930595077
Energy: 1.6018587501837982
Energy: 1.5244083275327942
Energy: 1.4064916562947036
Energy: 1.5244083275334803
Energy: 1.6018587501837982
Energy: 1.5244083275327942
Energy: 1.4407525738364744
Energy: 1.718385757636567
Energy: 1.8812417508875896
Energy: 1.718385757637253
Energy: 1.4407525738364744
Energy: 1.718385757638625
Energy: 1.5876512685492703
Energy: 1.790869234869074
Energy: 1.5003438013313377
Energy: 1.7908692348677022
Energy: 1.587651268550642
Energy: 1.7908692348683881
Energy: 1.5880007595102643
Energy: 1.6703145646097968
Energy: 1.3546791773830238
Energy: 1.6703145646111686
Energy: 1.5880007595095782
Energy: 1.6703145646111686
Energy: 1.534369566318514
Energy: 1.6791719666391987
Energy: 1.3338098004066852
Energy: 1.6791719666391987
Energy: 1.5343695663205719
Energy: 1.6791719666378266
Energy: 1.4886994452175912
Energy: 1.7778562706974914
Energy: 1.695392601002912
Energy: 1.777856270698177
Energy: 1.4886994452155335
Energy: 1.7778562706974914
Energy: 1.3135870507329155
Energy: 1.6587750323202834
Energy: 1.8103474138946154
Energy: 1.6587750323209696
Energy: 1.3135870507329155
Energy: 1.6587750323209696
Energy: 1.392337422418339
Energy: 1.5062396457961675
Energy: 1.8112474356361676
Energy: 1.5062396457961675
Energy: 1.3923374224162814
Energy: 1.5062396457961675
Energy: 1.5857788408346358
Energy: 1.7233165871342808
Energy: 1.3027013633343176
Energy: 1.7233165871342808
Energy: 1.5857788408346358
Energy: 1.7233165871342808
Energy: 1.477299377218937
Energy: 1.7468317943411598
Energy: 1.8311823373213907
Energy: 1.7468317943411598
Energy: 1.477299377218937
Energy: 1.7468317943418457
Energy: 1.3460805368187456
Energy: 1.6562573707899582
Energy: 1.486633152687588
Energy: 1.6562573707879003
Energy: 1.3460805368187456
Energy: 1.656257370789272
Energy: 1.5630761086120402
Energy: 1.7302686353058698
Energy: 1.4361771754785992
Energy: 1.7302686353003827
Energy: 1.563076108613412
Energy: 1.730268635306556
Energy: 1.3546838740357698
Energy: 1.709857779061999
Energy: 1.5327442402037734
Energy: 1.7098577790626852
Energy: 1.354683874033712
Energy: 1.7098577790613134
Energy: 1.8129784144241494
Energy: 1.7778646148960655
Energy: 1.3110205249652525
Energy: 1.7778646148919497
Energy: 1.8129784144248353
Energy: 1.7778646148953794
Energy: 1.8128050947857397
Energy: 1.7637825745782147
Energy: 1.3537679865794896
Energy: 1.763782574577529
Energy: 1.8128050947864254
Energy: 1.7637825745768432
Energy: 1.3547868034427784
Energy: 1.7094090036424678
Energy: 1.5323969797895793
Energy: 1.7094090036431537
Energy: 1.3547868034420922
Energy: 1.7094090036424678
Energy: 1.5626949136227928
Energy: 1.7386739346655786
Energy: 1.4481636898869887
Energy: 1.7386739346662647
Energy: 1.5626949136221067
Energy: 1.7386739346662647
Energy: 1.346162662835199
Energy: 1.6570177317796695
Energy: 1.4865309304848602
Energy: 1.6570177317796695
Energy: 1.346162662835199
Energy: 1.6570177317796695
Energy: 1.4396277020721666
Energy: 1.7468317943418457
Energy: 1.8312123763622978
Energy: 1.7468317943418457
Energy: 1.4396277020728525
Energy: 1.7468317943418457
Energy: 1.5859849088291962
Energy: 1.7233391364391228
Energy: 1.3026641839471351
Energy: 1.7233391364391228
Energy: 1.5859849088291962
Energy: 1.7233391364391228
Energy: 1.3921989792381366
Energy: 1.5063019581983204
Energy: 1.8112109901267792
Energy: 1.506301958199006
Energy: 1.3921989792367648
Energy: 1.5063019581983204
Energy: 1.3135355550160308
Energy: 1.6596068227395842
Energy: 1.7601460704088492
Energy: 1.65960682274027
Energy: 1.3135355550160308
Energy: 1.6596068227395842
Energy: 1.4881759308056113
Energy: 1.7786260953633426
Energy: 1.5719762317356456
Energy: 1.7786260953633426
Energy: 1.4881759308076687
Energy: 1.7786260953633426
Energy: 1.5343015375250297
Energy: 1.6786073178844054
Energy: 1.3337129505978178
Energy: 1.6786073178850913
Energy: 1.5343015375236577
Energy: 1.678607317885777
Energy: 1.5867572541518875
Energy: 1.6698524989567625
Energy: 1.3547081311132363
Energy: 1.6698524989581345
Energy: 1.5867572541518875
Energy: 1.6698524989567625
Energy: 1.587354955211278
Energy: 1.7910057472379344
Energy: 1.5037768508608391
Energy: 1.7910057472372487
Energy: 1.587354955211964
Energy: 1.7910057472372487
Energy: 1.4407327466793634
Energy: 1.7086551069502551
Energy: 1.8821845894375255
Energy: 1.708655106951627
Energy: 1.4407327466793634
Energy: 1.7086551069502551
Energy: 1.6020385051458046
Energy: 1.5244187138039949
Energy: 1.4065481070995418
Energy: 1.5244187138046807
Energy: 1.6020385051458046
Energy: 1.5244187138046807
Energy: 1.4708217075174632
Energy: 1.6898920708831136
Energy: 1.3544446180345475
Energy: 1.6898920708824274
Energy: 1.4708217075174632
Energy: 1.6898920708831136

minimum gb energy = 1.2996734021327032 eV
minimum distance =  2.25596095644971 Angstroms
sigma value = 51


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

Energy: 1.5704207211182926
Energy: 1.701958630002193
Energy: 1.3740624142698752
Energy: 1.7019586300006038
Energy: 1.5704207211182926
Energy: 1.7019586300006038
Energy: 1.4946985051046484
Energy: 1.8504576167059958
Energy: 1.8899583700301912
Energy: 1.8504576167044067
Energy: 1.4946985051046484
Energy: 1.8504576167059958
Energy: 1.2565126228138002
Energy: 1.7918925384540196
Energy: 1.6975165558004885
Energy: 1.7918925384524305
Energy: 1.2565126228138002
Energy: 1.7918925384540196
Energy: 1.2759795674504202
Energy: 1.591996714762486
Energy: 1.738525690795886
Energy: 1.5919967147640754
Energy: 1.2759795674520094
Energy: 1.591996714762486
Energy: 1.298203092236928
Energy: 1.6624431800845079
Energy: 1.6975204571921814
Energy: 1.6624431800829187
Energy: 1.298203092236928
Energy: 1.6624431800845079
Energy: 1.6790135090999676
Energy: 1.598149687974135
Energy: 1.8083575166208667
Energy: 1.598149687975724
Energy: 1.6790135090999676
Energy: 1.598149687975724
Energy: 1.6839506857136401
Energy: 1.5987996981738317
Energy: 1.77316481610308
Energy: 1.5987996981738317
Energy: 1.6839506857136401
Energy: 1.5987996981722423
Energy: 1.2768129584591041
Energy: 1.5981077258640257
Energy: 1.3098617021305392
Energy: 1.5981077258640257
Energy: 1.2768129584591041
Energy: 1.5981077258640257
Energy: 1.8061989968061098
Energy: 1.5682047541624986
Energy: 1.2695115852623282
Energy: 1.568204754164088
Energy: 1.8061989968076992
Energy: 1.568204754164088
Energy: 1.2763465916397176
Energy: 1.6764528829591079
Energy: 1.310016551035536
Energy: 1.6764528829606973
Energy: 1.2763465916397176
Energy: 1.6764528829591079
Energy: 1.703882283241649
Energy: 2.004655939780216
Energy: 1.7694644269294624
Energy: 2.0046559397786265
Energy: 1.7038822832400595
Energy: 2.0046559397786265
Energy: 1.6424816096264347
Energy: 1.6466194902127813
Energy: 1.8096328934771626
Energy: 1.6466194902127813
Energy: 1.6424816096248454
Energy: 1.6466194902111921
Energy: 1.6890425323117821
Energy: 1.7397648898473768
Energy: 1.719182731738292
Energy: 1.7397648898473768
Energy: 1.6890425323117821
Energy: 1.7397648898457874
Energy: 1.2762296915913582
Energy: 1.7916617457236133
Energy: 1.7201062135102034
Energy: 1.791661745722024
Energy: 1.2762296915913582
Energy: 1.791661745722024
Energy: 1.2765753799776685
Energy: 1.7507179940334487
Energy: 1.7196081332419342
Energy: 1.7507179940334487
Energy: 1.2765753799776685
Energy: 1.7507179940334487
Energy: 1.2762871289206472
Energy: 1.66562464770725
Energy: 1.720133928050143
Energy: 1.66562464770725
Energy: 1.2762871289222364
Energy: 1.66562464770725
Energy: 1.6413057752401008
Energy: 1.671243113358036
Energy: 1.8012451584338707
Energy: 1.6712431133548575
Energy: 1.6413057752401008
Energy: 1.671243113358036
Energy: 1.8866447853859574
Energy: 1.6007028954151141
Energy: 1.7705936892982244
Energy: 1.6007028954151141
Energy: 1.8866447853859574
Energy: 1.6007028954103464

minimum gb energy = 1.2565126228138002 eV
minimum distance =  2.2458939309201 Angstroms
sigma value = 19


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

Energy: 1.674059632266251
Energy: 1.8811764244166254
Energy: 1.4656204426615345
Energy: 1.8811764244156826
Energy: 1.674059632266251
Energy: 1.8811764244166254
Energy: 1.4710415633048026
Energy: 1.8401521383362545
Energy: 1.700663789414531
Energy: 1.8401521383362545
Energy: 1.4710415633048026
Energy: 1.8401521383362545
Energy: 1.4246629627924352
Energy: 1.8132257122268853
Energy: 1.54077495914135
Energy: 1.8132257122268853
Energy: 1.4246629627914924
Energy: 1.8132257122259423
Energy: 1.3864548193460375
Energy: 1.7179962870822345
Energy: 1.7734016887767416
Energy: 1.7179962870822345
Energy: 1.3864548193460375
Energy: 1.7179962870822345
Energy: 1.39917285818774
Energy: 1.8122573353850957
Energy: 1.7479644404834414
Energy: 1.8122573353850957
Energy: 1.39917285818774
Energy: 1.8122573353850957
Energy: 1.7479300760547054
Energy: 1.812282394648677
Energy: 1.3989731834954227
Energy: 1.812282394648677
Energy: 1.7479300760547054
Energy: 1.812282394648677
Energy: 1.77348737937208
Energy: 1.7182448443610496
Energy: 1.3864425741495865
Energy: 1.718244844360107
Energy: 1.7734873793711377
Energy: 1.7182448443610496
Energy: 1.5411275678048049
Energy: 1.821237297557601
Energy: 1.421987574885861
Energy: 1.821237297557601
Energy: 1.5411275678057474
Energy: 1.821237297557601
Energy: 1.7005705740840518
Energy: 1.8476817579058742
Energy: 1.4810358151129484
Energy: 1.8476817579058742
Energy: 1.7005705740840518
Energy: 1.8476817579058742
Energy: 1.5442820041699443
Energy: 1.8811764244147398
Energy: 1.674059632266251
Energy: 1.8811764244147398
Energy: 1.5442820041708871
Energy: 1.8811764244166254
Energy: 1.700663789414531
Energy: 1.8401521383362545
Energy: 1.3277641508498357
Energy: 1.8401521383362545
Energy: 1.700663789414531
Energy: 1.8401521383362545
Energy: 1.5407749591404072
Energy: 1.8132257122268853
Energy: 1.4246629627914924
Energy: 1.8132257122268853
Energy: 1.5407749591404072
Energy: 1.8132257122268853
Energy: 1.7734016887776842
Energy: 1.7179962870822345
Energy: 1.3864548193469801
Energy: 1.7179962870831769
Energy: 1.7734016887776842
Energy: 1.7179962870822345
Energy: 1.7479644404834414
Energy: 1.8122573353850957
Energy: 1.39917285818774
Energy: 1.8122573353850957
Energy: 1.7479644404834414
Energy: 1.8122573353850957
Energy: 1.3989731834954227
Energy: 1.812282394648677
Energy: 1.6874553472559792
Energy: 1.812282394648677
Energy: 1.3989731834954227
Energy: 1.812282394648677
Energy: 1.4108674948571247
Energy: 1.718244844360107
Energy: 1.77348737937208
Energy: 1.718244844360107
Energy: 1.4108674948571247
Energy: 1.718244844360107
Energy: 1.421987574885861
Energy: 1.821237297557601
Energy: 1.5411275678048049
Energy: 1.821237297557601
Energy: 1.421987574885861
Energy: 1.821237297557601
Energy: 1.4810358151129484
Energy: 1.8476817579058742
Energy: 1.700570574083109
Energy: 1.8476817579058742
Energy: 1.4810358151129484
Energy: 1.8476817579058742
Energy: 1.6740596322671941
Energy: 1.8811764244156826
Energy: 1.6180907270607088
Energy: 1.8811764244156826
Energy: 1.6740596322671941
Energy: 1.8811764244147398
Energy: 1.3277641508498357
Energy: 1.8401521383362545
Energy: 1.700663789414531
Energy: 1.8401521383362545
Energy: 1.3277641508498357
Energy: 1.8401521383353119
Energy: 1.4246629627924352
Energy: 1.813225712227828
Energy: 1.54077495914135
Energy: 1.813225712227828
Energy: 1.4246629627914924
Energy: 1.813225712227828
Energy: 1.3864548193469801
Energy: 1.7179962870822345
Energy: 1.7734016887776842
Energy: 1.7179962870822345
Energy: 1.3864548193469801
Energy: 1.7179962870822345
Energy: 1.399172858188683
Energy: 1.812257335384153
Energy: 1.7479644404834414
Energy: 1.8122573353850957
Energy: 1.3991728581896254
Energy: 1.812257335384153
Energy: 1.6209069257557676
Energy: 1.812282394648677
Energy: 1.3989731834954227
Energy: 1.812282394648677
Energy: 1.6209069257557676
Energy: 1.812282394648677
Energy: 1.77348737937208
Energy: 1.718244844360107
Energy: 1.4343588803784795
Energy: 1.7182448443610496
Energy: 1.7734873793730228
Energy: 1.7182448443610496
Energy: 1.5411275678048049
Energy: 1.821237297557601
Energy: 1.421987574885861
Energy: 1.821237297557601
Energy: 1.5411275678048049
Energy: 1.821237297557601
Energy: 1.700570574083109
Energy: 1.8476817579058742
Energy: 1.4810358151129484
Energy: 1.8476817579058742
Energy: 1.700570574083109
Energy: 1.8476817579049314
Energy: 1.6180907270607088
Energy: 1.8811764244156826
Energy: 1.6740596322671941
Energy: 1.8811764244147398
Energy: 1.6180907270607088
Energy: 1.8811764244147398
Energy: 1.700663789414531
Energy: 1.8401521383362545
Energy: 1.3277641508498357
Energy: 1.8401521383371973
Energy: 1.700663789414531
Energy: 1.8401521383362545
Energy: 1.54077495914135
Energy: 1.8132257122259423
Energy: 1.4246629627914924
Energy: 1.8132257122259423
Energy: 1.54077495914135
Energy: 1.8132257122259423

minimum gb energy = 1.3277641508498357 eV
minimum distance =  2.25776255566562 Angstroms
sigma value = 27


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

Energy: 1.368294721940755
Energy: 1.6379544643691801
Energy: 1.5734498215384263
Energy: 1.6379544643694164
Energy: 1.368294721940519
Energy: 1.6379544643694164
Energy: 1.2879252097008556
Energy: 1.5305615258065102
Energy: 1.3298131544277492
Energy: 1.5305615258067462
Energy: 1.2879252097008556
Energy: 1.5305615258065102
Energy: 1.2873753461200637
Energy: 1.9415752053937305
Energy: 1.3301949860359474
Energy: 1.9415752053921298
Energy: 1.2873753461200637
Energy: 1.9415752053932844
Energy: 1.6377622310263442
Energy: 1.633379280276651
Energy: 1.3050593949893752
Energy: 1.6333792802764149
Energy: 1.6377622310267903
Energy: 1.633379280276651
Energy: 1.9813049909376321
Energy: 1.6366595260940215
Energy: 1.3054432315300675
Energy: 1.6366595260935755
Energy: 1.981304990937396
Energy: 1.6366595260935755
Energy: 1.3196876651160976
Energy: 1.5628264229784192
Energy: 1.344837921856319
Energy: 1.5628264229816466
Energy: 1.3196876651163338
Energy: 1.562826422998965
Energy: 1.3086168772528546
Energy: 1.3303794696872637
Energy: 1.3176093445838621
Energy: 1.3303794696875
Energy: 1.3086168772521463
Energy: 1.3303794696865814
Energy: 1.3608939175066177
Energy: 1.6333129323499653
Energy: 1.5597653296694993
Energy: 1.6333129323504116
Energy: 1.3608939175073
Energy: 1.6333129323501754
Energy: 1.6494620347898366
Energy: 1.5153337606937343
Energy: 1.5275074051439275
Energy: 1.5153337606932618
Energy: 1.649462034789154
Energy: 1.5153337606927895
Energy: 1.3195141292828398
Energy: 2.164801133455313
Energy: 1.319439957863324
Energy: 2.164801133455549
Energy: 1.31951412928263
Energy: 2.164801133455549
Energy: 1.3299784145932383
Energy: 1.514955025987604
Energy: 1.6494622814201683
Energy: 1.5149550259866855
Energy: 1.3299784145930282
Energy: 1.5149550259873676
Energy: 1.5596255721807943
Energy: 1.6334237592806409
Energy: 1.3601452516335593
Energy: 1.6334237592808507
Energy: 1.5596255721812404
Energy: 1.6334237592808507

minimum gb energy = 1.2873753461200637 eV
minimum distance =  2.2409840712711 Angstroms
sigma value = 9


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

Energy: 1.6886209641696146
Energy: 1.889522451188809
Energy: 1.456732372935645
Energy: 1.8895224511894577
Energy: 1.6886209641696146
Energy: 1.8895224511901065
Energy: 1.7661645598056341
Energy: 1.7641266031945486
Energy: 1.4298675414907824
Energy: 1.7641266031938998
Energy: 1.7661645598049853
Energy: 1.7641266031926024
Energy: 1.343264725504114
Energy: 1.9450573838751422
Energy: 1.4596846372185142
Energy: 1.9450573838744933
Energy: 1.3432647255034653
Energy: 1.9450573838744933
Energy: 1.437029990983993
Energy: 1.943042636679104
Energy: 1.5914609271616038
Energy: 1.943042636679104
Energy: 1.4370299909846418
Energy: 1.943042636679104
Energy: 1.3276968723557174
Energy: 1.9414539952482703
Energy: 1.7338797603124054
Energy: 1.9414539952482703
Energy: 1.3276968723576639
Energy: 1.941453995248919
Energy: 1.4229172945874005
Energy: 1.7501108777683996
Energy: 1.5584729874180816
Energy: 1.7501108777690482
Energy: 1.4229172945874005
Energy: 1.7501108777671017
Energy: 1.7366714630411968
Energy: 1.7992037312109452
Energy: 1.580058005552633
Energy: 1.7992037312109452
Energy: 1.736671463040548
Energy: 1.7992037312096476
Energy: 1.521124530716282
Energy: 1.8753600848186114
Energy: 1.5281642517355951
Energy: 1.8753600848192604
Energy: 1.521124530716282
Energy: 1.8753600848192604
Energy: 1.5224218375024687
Energy: 1.7983061013292099
Energy: 1.5621278862315526
Energy: 1.7983061013292099
Energy: 1.5224218375031178
Energy: 1.7983061013298587
Energy: 1.5465991395498713
Energy: 1.9158436345013592
Energy: 1.396875318992906
Energy: 1.915843634502008
Energy: 1.5465991395498713
Energy: 1.9158436345026566
Energy: 1.6848741422393032
Energy: 1.774051211221389
Energy: 1.4491934356804155
Energy: 1.7740512112233358
Energy: 1.6848741422393032
Energy: 1.7740512112220381
Energy: 1.368389096585912
Energy: 1.8486286110664742
Energy: 1.4247613351483484
Energy: 1.848628611067123
Energy: 1.3683890965865606
Energy: 1.848628611067123
Energy: 1.4532067973189362
Energy: 1.759570784790703
Energy: 1.6934720984709577
Energy: 1.759570784790703
Energy: 1.4532067973182876
Energy: 1.7595707847913518
Energy: 1.6293034266161552
Energy: 1.9110211521387812
Energy: 1.7347200267769465
Energy: 1.9110211521374838
Energy: 1.6293034266155066
Energy: 1.9110211521387812
Energy: 1.4186851360352313
Energy: 1.912832069714974
Energy: 1.6565066322513948
Energy: 1.912832069714974
Energy: 1.4186851360352313
Energy: 1.912832069714974
Energy: 1.5275815143111884
Energy: 1.795037975685926
Energy: 1.430008019384175
Energy: 1.795037975685926
Energy: 1.5275815143111884
Energy: 1.7950379756865749
Energy: 1.5463613670631433
Energy: 1.9039299311527247
Energy: 1.4495628008918775
Energy: 1.9039299311520759
Energy: 1.5463613670631433
Energy: 1.9039299311520759
Energy: 1.6154072806816424
Energy: 1.756154310260297
Energy: 1.4731971868531724
Energy: 1.756154310260297
Energy: 1.6154072806816424
Energy: 1.7561543102615944
Energy: 1.5464414212604871
Energy: 1.9181985911787733
Energy: 1.440345284952495
Energy: 1.9181985911781245
Energy: 1.5464414212598383
Energy: 1.9181985911787733
Energy: 1.5043896713053586
Energy: 1.8873166648317343
Energy: 1.5071786404158118
Energy: 1.8873166648323831
Energy: 1.5043896713047098
Energy: 1.8873166648310853
Energy: 1.4401664067963853
Energy: 1.9181913591142177
Energy: 1.5464191194054757
Energy: 1.9181913591142177
Energy: 1.4401664067957365
Energy: 1.918191359115515
Energy: 1.4732299319044002
Energy: 1.755740676562515
Energy: 1.6153367008084238
Energy: 1.7557406765631636
Energy: 1.4732299319044002
Energy: 1.7557406765631636
Energy: 1.4489202802214274
Energy: 1.8972909542220402
Energy: 1.54602748856592
Energy: 1.8972909542220402
Energy: 1.4489202802214274
Energy: 1.8972909542220402
Energy: 1.4300983559504115
Energy: 1.7949896500359883
Energy: 1.5275702271879508
Energy: 1.7949896500366371
Energy: 1.4300983559504115
Energy: 1.7949896500359883
Energy: 1.656395350877444
Energy: 1.9129525112467516
Energy: 1.4186162067223513
Energy: 1.9129525112461025
Energy: 1.6563953508780929
Energy: 1.9129525112467516
Energy: 1.7347109720455185
Energy: 1.9111127840477313
Energy: 1.6292797025396801
Energy: 1.9111127840483801
Energy: 1.7347109720455185
Energy: 1.9111127840483801
Energy: 1.6934981205194142
Energy: 1.7607777067849402
Energy: 1.4531107786185056
Energy: 1.7607777067836428
Energy: 1.6934981205187654
Energy: 1.7607777067842916
Energy: 1.4246940031342925
Energy: 1.8106701619093306
Energy: 1.3684892947036618
Energy: 1.8106701619099794
Energy: 1.424694003136239
Energy: 1.810670161908033
Energy: 1.4496365824849016
Energy: 1.7158834935768195
Energy: 1.6862531920404726
Energy: 1.7158834935768195
Energy: 1.4496365824842528
Energy: 1.7158834935787657
Energy: 1.399510322993194
Energy: 1.915755847294955
Energy: 1.546588928743856
Energy: 1.915755847294955
Energy: 1.3995103229938428
Energy: 1.9157558472956038
Energy: 1.5658106892139896
Energy: 1.7983061013298587
Energy: 1.522370083707093
Energy: 1.7983061013305075
Energy: 1.5658106892133408
Energy: 1.7983061013298587
Energy: 1.528182357023233
Energy: 1.8749516993714153
Energy: 1.5212250870964772
Energy: 1.8749516993707667
Energy: 1.528182357023233
Energy: 1.8749516993707667
Energy: 1.580592843490088
Energy: 1.7981082893726432
Energy: 1.7367379598423247
Energy: 1.7981082893732923
Energy: 1.5805928434907366
Energy: 1.7981082893726432
Energy: 1.5577588650042518
Energy: 1.9032976018858438
Energy: 1.4230915130521076
Energy: 1.9032976018858438
Energy: 1.557758865002954
Energy: 1.9032976018864924
Energy: 1.7647206799872344
Energy: 1.9436001553231887
Energy: 1.327822775247841
Energy: 1.9436001553231887
Energy: 1.7647206799878832
Energy: 1.9436001553231887
Energy: 1.5913553509144363
Energy: 1.9430779026584526
Energy: 1.4370926459237288
Energy: 1.9430779026584526
Energy: 1.5913553509163825
Energy: 1.9430779026584526
Energy: 1.475932295323838
Energy: 1.9420527378223233
Energy: 1.3431457442132233
Energy: 1.942052737823621
Energy: 1.4759322953244867
Energy: 1.9420527378229724
Energy: 1.4256716107625322
Energy: 1.7318266358222332
Energy: 1.7664239929453127
Energy: 1.7318266358209358
Energy: 1.4256716107618836
Energy: 1.7318266358215844
Energy: 1.4893134429608121
Energy: 1.8895224511875113
Energy: 1.6886209641696146
Energy: 1.8895224511875113
Energy: 1.489313442961461
Energy: 1.8895224511881603
Energy: 1.4298675414933477
Energy: 1.7641266031938998
Energy: 1.7661645598056341
Energy: 1.7641266031958462
Energy: 1.4298675414894846
Energy: 1.7641266031932512
Energy: 1.4596846372198118
Energy: 1.9450573838744933
Energy: 1.3432647255015187
Energy: 1.9450573838744933
Energy: 1.4596846372191632
Energy: 1.9450573838738447
Energy: 1.5914609271622526
Energy: 1.943042636679104
Energy: 1.437029990983993
Energy: 1.943042636679104
Energy: 1.5914609271616038
Energy: 1.943042636679104
Energy: 1.7064516286727318
Energy: 1.941453995248919
Energy: 1.327696872356366
Energy: 1.941453995248919
Energy: 1.706451628672083
Energy: 1.941453995248919

minimum gb energy = 1.3276968723557174 eV
minimum distance =  2.21031274056208 Angstroms
sigma value = 57


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

Energy: 1.3819862774135732
Energy: 1.5407789490428747
Energy: 1.3947601890112378
Energy: 1.5407789490428747
Energy: 1.3819862774135732
Energy: 1.540778949041398
Energy: 1.8058391973371892
Energy: 1.6103072309820312
Energy: 1.3720618601660108
Energy: 1.6103072309820312
Energy: 1.8058391973371892
Energy: 1.6103072309820312
Energy: 1.349487720646388
Energy: 1.6870865972650313
Energy: 1.252105826821284
Energy: 1.6870865972650313
Energy: 1.349487720646388
Energy: 1.6870865972650313
Energy: 1.184411033608965
Energy: 1.6131664255646856
Energy: 1.3986156461605956
Energy: 1.6131664255646856
Energy: 1.184411033608965
Energy: 1.6131664255646856
Energy: 1.1849877747097
Energy: 1.6404718203290685
Energy: 1.3536854869504924
Energy: 1.6404718203290685
Energy: 1.1849877747097
Energy: 1.6404718203290685
Energy: 1.8437337196357206
Energy: 1.7841797980499716
Energy: 1.432021120680479
Energy: 1.7841797980499716
Energy: 1.8437337196357206
Energy: 1.7841797980499716
Energy: 1.8436975719403443
Energy: 1.7840076835596599
Energy: 1.4308102929092894
Energy: 1.784007683561137
Energy: 1.8436975719403443
Energy: 1.7840076835596599
Energy: 1.1850717824871067
Energy: 1.6405582450402547
Energy: 1.398330990224386
Energy: 1.6405582450387777
Energy: 1.1850717824856296
Energy: 1.6405582450387777
Energy: 1.1843778004437275
Energy: 1.6131645957581404
Energy: 1.3373082343022238
Energy: 1.6131645957596172
Energy: 1.1843778004422507
Energy: 1.6131645957581404
Energy: 1.3496984399778036
Energy: 1.6870663347417738
Energy: 1.2528612979307825
Energy: 1.6870663347417738
Energy: 1.3496984399778036
Energy: 1.6870663347417738
Energy: 1.8057594318196748
Energy: 1.6103072309835083
Energy: 1.2517042520983421
Energy: 1.6103072309835083
Energy: 1.8057594318196748
Energy: 1.6103072309835083
Energy: 1.3819862774150502
Energy: 1.5407789490399209
Energy: 1.4642010049737277
Energy: 1.5407789490399209
Energy: 1.3819862774135732
Energy: 1.540778949041398
Energy: 1.8058391973371892
Energy: 1.6103072309820312
Energy: 1.2816439226957421
Energy: 1.6103072309820312
Energy: 1.8058391973371892
Energy: 1.6103072309820312
Energy: 1.349487720646388
Energy: 1.6870865972650313
Energy: 1.252105826821284
Energy: 1.6870865972650313
Energy: 1.349487720646388
Energy: 1.6870865972650313
Energy: 1.184411033608965
Energy: 1.6131664255661624
Energy: 1.3986156461620727
Energy: 1.6131664255646856
Energy: 1.184411033608965
Energy: 1.6131664255646856
Energy: 1.1849877747097
Energy: 1.6404718203290685
Energy: 1.2307854740043385
Energy: 1.6404718203290685
Energy: 1.1849877747097
Energy: 1.6404718203305453
Energy: 1.8437337196357206
Energy: 1.7841797980499716
Energy: 1.432021120680479
Energy: 1.7841797980499716
Energy: 1.8437337196357206
Energy: 1.7841797980499716
Energy: 1.8436975719403443
Energy: 1.7840076835596599
Energy: 1.4308102929092894
Energy: 1.784007683561137
Energy: 1.8436975719403443
Energy: 1.7840076835596599
Energy: 1.1850717824871067
Energy: 1.6405582450387777
Energy: 1.398330990224386
Energy: 1.6405582450402547
Energy: 1.1850717824856296
Energy: 1.6405582450387777

minimum gb energy = 1.1843778004422507 eV
minimum distance =  2.22129837207058 Angstroms
sigma value = 11


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

Energy: 1.2689281986057843
Energy: 1.788171342516054
Energy: 1.2889876389932613
Energy: 1.788171342516054
Energy: 1.2689281986057843
Energy: 1.788171342516054
Energy: 1.8615925007632619
Energy: 1.5500919077322792
Energy: 1.2752260050268667
Energy: 1.5500919077311974
Energy: 1.86159250076218
Energy: 1.5500919077311974
Energy: 1.2301958613199446
Energy: 1.2949389332051437
Energy: 1.2762552934676963
Energy: 1.2949389332083894
Energy: 1.2301958613199446
Energy: 1.294938933206226
Energy: 1.4444723843562293
Energy: 1.518717740870305
Energy: 1.2926729091382725
Energy: 1.5187177408681414
Energy: 1.4444723843562293
Energy: 1.5187177408713868
Energy: 1.3521404921166948
Energy: 1.7917344913818742
Energy: 1.2479899189142856
Energy: 1.7917344913829558
Energy: 1.3521404921156128
Energy: 1.7917344913829558
Energy: 1.1146849552843945
Energy: 1.6596340652288126
Energy: 1.1984857275887568
Energy: 1.6596340652298947
Energy: 1.1146849552843945
Energy: 1.6596340652298947
Energy: 1.1135818168675495
Energy: 1.4573881524445078
Energy: 1.3409827949113884
Energy: 1.4573881524466719
Energy: 1.1135818168664675
Energy: 1.4573881524445078
Energy: 1.5676731404033653
Energy: 1.7610314269152478
Energy: 1.4069483860116516
Energy: 1.7610314269152478
Energy: 1.5676731404044473
Energy: 1.7610314269152478
Energy: 1.5663031809849979
Energy: 1.7252409639750932
Energy: 1.561069289234647
Energy: 1.725240963976175
Energy: 1.5663031809849979
Energy: 1.725240963976175
Energy: 1.1149987135702912
Energy: 1.4560332070325328
Energy: 1.4484132520793356
Energy: 1.456033207030369
Energy: 1.1149987135702912
Energy: 1.4560332070336144
Energy: 1.227884051846163
Energy: 1.7074522045969853
Energy: 1.1991146722969412
Energy: 1.7074522045948215
Energy: 1.227884051845081
Energy: 1.7074522045959035
Energy: 1.3491661150609564
Energy: 1.784344006155031
Energy: 1.18849806485868
Energy: 1.784344006155031
Energy: 1.3491661150609564
Energy: 1.784344006153949
Energy: 1.5654205437847062
Energy: 1.3743290926214276
Energy: 1.2288973700988044
Energy: 1.3743290926246732
Energy: 1.5654205437836242
Energy: 1.3743290926225096
Energy: 1.2316998437289444
Energy: 1.417322993356451
Energy: 1.2752109467642936
Energy: 1.417322993355369
Energy: 1.231699843730026
Energy: 1.417322993355369
Energy: 1.769887142047749
Energy: 1.5505570629045733
Energy: 1.373706566151666
Energy: 1.5505570629045733
Energy: 1.7698871420466675
Energy: 1.550557062905655
Energy: 1.270136237802107
Energy: 1.790211635260562
Energy: 1.461148379442391
Energy: 1.7902116352594797
Energy: 1.270136237802107
Energy: 1.7902116352594797
Energy: 1.8291309567428675
Energy: 1.550276058782745
Energy: 1.284231638962941
Energy: 1.550276058782745
Energy: 1.8291309567417857
Energy: 1.550276058782745
Energy: 1.2315906892342272
Energy: 1.291087354276031
Energy: 1.265144208509678
Energy: 1.2910873542749493
Energy: 1.2315906892342272
Energy: 1.291087354276031
Energy: 1.5589946599672742
Energy: 1.5688213249205516
Energy: 1.1871350992524095
Energy: 1.5688213249216334
Energy: 1.5589946599672742
Energy: 1.5688213249205516
Energy: 1.3132042015379908
Energy: 1.7741829803482836
Energy: 1.2745379173700861
Energy: 1.7741829803482836
Energy: 1.3132042015379908
Energy: 1.7741829803472018
Energy: 1.6142716288890782
Energy: 1.6729158456146196
Energy: 1.261705179374479
Energy: 1.6729158456157016
Energy: 1.614271628887996
Energy: 1.6729158456146196
Energy: 1.1152220384082419
Energy: 1.5424838316243255
Energy: 1.3396925123296535
Energy: 1.5424838316243255
Energy: 1.1152220384082419
Energy: 1.5424838316232437
Energy: 1.5403055901835254
Energy: 1.7600598521311348
Energy: 1.3769647361418949
Energy: 1.7600598521311348
Energy: 1.5403055901835254
Energy: 1.7600598521322166
Energy: 1.2929323933838626
Energy: 1.786599657744777
Energy: 1.7726044415920759
Energy: 1.786599657744777
Energy: 1.2929323933838626
Energy: 1.786599657744777
Energy: 1.1178312615511634
Energy: 1.5068309465915084
Energy: 1.2621503865736299
Energy: 1.50683094659259
Energy: 1.1178312615511634
Energy: 1.5068309465904264
Energy: 1.2285525530106742
Energy: 1.7246398328458754
Energy: 1.3133563763298333
Energy: 1.7246398328458754
Energy: 1.2285525530106742
Energy: 1.724639832846957

minimum gb energy = 1.1135818168664675 eV
minimum distance =  2.21573145574747 Angstroms
sigma value = 41


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

Energy: 1.6353395678081244
Energy: 1.6154275151477693
Energy: 1.225167050794402
Energy: 1.6154275151477693
Energy: 1.6353395678081244
Energy: 1.6154275151477693
Energy: 1.8203350285113384
Energy: 1.4138782399809482
Energy: 1.1706541485474364
Energy: 1.4138782399809482
Energy: 1.8203350285113384
Energy: 1.4138782399809482
Energy: 1.1369635725674008
Energy: 1.567765119812805
Energy: 1.2032645105585487
Energy: 1.567765119812805
Energy: 1.1369635725674008
Energy: 1.567765119812805
Energy: 1.7304290026389804
Energy: 1.1697943560830086
Energy: 1.1955493140997169
Energy: 1.1697943561111475
Energy: 1.7304290026398332
Energy: 1.1697943560778925
Energy: 1.1246663178337564
Energy: 1.4289798873219708
Energy: 1.1483488292436574
Energy: 1.4289798873219708
Energy: 1.124666317834609
Energy: 1.4289798873219708
Energy: 1.4345134435970681
Energy: 1.495962882427313
Energy: 1.2617809952644816
Energy: 1.4959628824256077
Energy: 1.4345134435962155
Energy: 1.4959628824256077
Energy: 1.2301910653556158
Energy: 1.5522132542307745
Energy: 1.2792046978680247
Energy: 1.55221325423248
Energy: 1.2301910653556158
Energy: 1.5522132542316271
Energy: 1.4298723076253863
Energy: 1.538412157124738
Energy: 1.2551443940056142
Energy: 1.538412157124738
Energy: 1.4298723076253863
Energy: 1.538412157124738
Energy: 1.0451187361832366
Energy: 1.5041862602310523
Energy: 1.4789252316480213
Energy: 1.5041862602319052
Energy: 1.0451187361832366
Energy: 1.5041862602319052
Energy: 1.435849293720653
Energy: 1.5194867595444697
Energy: 1.7003627671375166
Energy: 1.5194867595453228
Energy: 1.435849293720653
Energy: 1.5194867595444697
Energy: 1.394272021292134
Energy: 1.5847442749376008
Energy: 1.6095804190622347
Energy: 1.5847442749376008
Energy: 1.394272021292134
Energy: 1.5847442749384535
Energy: 1.0442555877591317
Energy: 1.5613010612565874
Energy: 1.2552715308436686
Energy: 1.5613010612565874
Energy: 1.0442555877591317
Energy: 1.5810129155127823
Energy: 1.1217862876139932
Energy: 1.5479608942701928
Energy: 1.4536761128649809
Energy: 1.5479608942701928
Energy: 1.1217862876139932
Energy: 1.54796089426934
Energy: 1.2041218772217666
Energy: 1.56596861130279
Energy: 1.2620328521125648
Energy: 1.5659686113036428
Energy: 1.2041218772217666
Energy: 1.5659686113036428
Energy: 1.3896116906057936
Energy: 1.5572747034047973
Energy: 1.2453835160764328
Energy: 1.5572747034047973
Energy: 1.3896116906057936
Energy: 1.5572747034047973
Energy: 1.124473295041889
Energy: 1.559306518379819
Energy: 1.1122311093147772
Energy: 1.5708740585087955
Energy: 1.1244732950427416
Energy: 1.597214188202596
Energy: 1.5015670620507293
Energy: 1.5074610777090005
Energy: 1.1399385023861937
Energy: 1.5074610777081476
Energy: 1.5015670620498764
Energy: 1.50746107770559
Energy: 1.1346746453854257
Energy: 1.5247946860173593
Energy: 1.1992373993536576
Energy: 1.5247946860173593
Energy: 1.1346746453845729
Energy: 1.524794686018212
Energy: 1.7851485013991935
Energy: 1.4125183422121672
Energy: 1.2423016199613348
Energy: 1.4125183422130199
Energy: 1.7851485013991935
Energy: 1.4125183422121672
Energy: 1.6147133249611585
Energy: 1.5872429905504502
Energy: 1.402923514273774
Energy: 1.592892340399032
Energy: 1.6147133249603058
Energy: 1.587242990551303
Energy: 1.807866128107471
Energy: 1.3832655153668136
Energy: 1.2104260095463708
Energy: 1.3832655153668136
Energy: 1.807866128107471
Energy: 1.3832655153668136
Energy: 1.1345321490249938
Energy: 1.5614950681249045
Energy: 1.2057536547266239
Energy: 1.5614950681249045
Energy: 1.1345321490249938
Energy: 1.5614950681249045
Energy: 1.6214891089270953
Energy: 1.3520871189330974
Energy: 1.101114304174915
Energy: 1.35208711893395
Energy: 1.62148910892539
Energy: 1.35208711893395
Energy: 1.1245802868056405
Energy: 1.434532920618329
Energy: 1.2123633329503705
Energy: 1.4345329206191817
Energy: 1.1245802868056405
Energy: 1.3311685030617921
Energy: 1.2208490575422164
Energy: 1.4927010937312062
Energy: 1.1243238340068715
Energy: 1.4927010937303535
Energy: 1.220849057541364
Energy: 1.4927010937312062
Energy: 1.2041629355702042
Energy: 1.4755620038585815
Energy: 1.2148167449114273
Energy: 1.4755620038585815
Energy: 1.2041629355710568
Energy: 1.4755620038594341
Energy: 1.5212586415605838
Energy: 1.5076853212252586
Energy: 1.228918609166274
Energy: 1.507685321223553
Energy: 1.5212586415605838
Energy: 1.507685321224406
Energy: 1.0443334710381913
Energy: 1.3971144226827705
Energy: 1.5566978501769957
Energy: 1.4699503849542173
Energy: 1.0443334710381913
Energy: 1.3971144226819179
Energy: 1.3937806887151276
Energy: 1.568263846227326
Energy: 1.6167173933072607
Energy: 1.568263846227326
Energy: 1.3937806887159803
Energy: 1.568263846227326
Energy: 1.164728029853693
Energy: 1.5619522980189058
Energy: 1.6378071735820325
Energy: 1.5619522980189058
Energy: 1.164728029853693
Energy: 1.5619522980189058
Energy: 1.1236145178351775
Energy: 1.5081953026373618
Energy: 1.2293379057014648
Energy: 1.5081953026373618
Energy: 1.1236145178343244
Energy: 1.5081953026382144
Energy: 1.1212799285869208
Energy: 1.5428954812228037
Energy: 1.5091324397831436
Energy: 1.542895481221951
Energy: 1.1212799285869208
Energy: 1.542895481221951
Energy: 1.164976572920703
Energy: 1.5108609022413308
Energy: 1.124207820087425
Energy: 1.5108609022421835
Energy: 1.164976572920703
Energy: 1.5108609022421835

minimum gb energy = 1.0442555877591317 eV
minimum distance =  2.20963072331254 Angstroms
sigma value = 33


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

Energy: 1.462564821937567
Energy: 1.4260400114973713
Energy: 1.0978507684568306
Energy: 1.4260400114973713
Energy: 1.4625648219369687
Energy: 1.4260400114973713
Energy: 2.022824660986545
Energy: 1.1456567107617424
Energy: 1.0723063525920302
Energy: 1.1456567107593485
Energy: 2.0228246609871428
Energy: 1.1456567107599471
Energy: 1.4489095718826008
Energy: 1.4144030281344422
Energy: 1.180253439046957
Energy: 1.414403028135639
Energy: 1.4489095718831995
Energy: 1.4144030281362374
Energy: 1.851158972828284
Energy: 1.065632402475291
Energy: 0.9736845674131607
Energy: 1.0656324023676276
Energy: 1.8511589728276858
Energy: 1.0656324024094632
Energy: 1.0949957581771064
Energy: 1.3493930096318287
Energy: 1.2122776245163243
Energy: 1.3493930096312303
Energy: 1.094995758177705
Energy: 1.3493930096318287
Energy: 1.5996466486823209
Energy: 1.3056472366357441
Energy: 1.1680044547405395
Energy: 1.3056472366369412
Energy: 1.599646648681124
Energy: 1.3056472366369412
Energy: 1.0799163027565362
Energy: 1.3420952493825478
Energy: 1.183109176627402
Energy: 1.3420952493837448
Energy: 1.0799163027559375
Energy: 1.3420952493837448
Energy: 1.5474443784982568
Energy: 1.322160693458574
Energy: 1.113364765843829
Energy: 1.322160693458574
Energy: 1.5474443784982568
Energy: 1.3221606934573769
Energy: 1.040284697542971
Energy: 1.341712723027577
Energy: 1.3899591325357554
Energy: 1.3417127230281753
Energy: 1.0402846975441677
Energy: 1.3417127230281753
Energy: 1.2913697017399268
Energy: 1.3425193643258682
Energy: 1.251332946112139
Energy: 1.3425193643252697
Energy: 1.2913697017405255
Energy: 1.3425193643252697
Energy: 1.0066848342337946
Energy: 1.3236547230749125
Energy: 1.410019443210617
Energy: 1.3236547230737155
Energy: 1.0066848342331967
Energy: 1.323654723074314
Energy: 1.469325973154855
Energy: 1.3645093407713644
Energy: 1.4722889645608703
Energy: 1.364509340771963
Energy: 1.469325973154855
Energy: 1.364509340771963
Energy: 1.138534044301663
Energy: 1.3404877241409303
Energy: 1.6311549475000438
Energy: 1.3404877241439221
Energy: 1.138534044301663
Energy: 1.3404877241445208
Energy: 1.161014549011338
Energy: 1.3520232899255125
Energy: 1.465827019719862
Energy: 1.3520232899255125
Energy: 1.1610145490119366
Energy: 1.352023289924914
Energy: 1.1143707794220374
Energy: 1.3240919285895953
Energy: 1.6256602857356657
Energy: 1.324091928591989
Energy: 1.1143707794226358
Energy: 1.324091928590792
Energy: 1.1614081747237637
Energy: 1.3625111900337739
Energy: 1.4046939455390814
Energy: 1.3625111900343725
Energy: 1.1614081747225666
Energy: 1.3625111900349707
Energy: 1.247471487868089
Energy: 1.3548094257463155
Energy: 1.6070620630173886
Energy: 1.354809425748111
Energy: 1.247471487868089
Energy: 1.3548094257487093
Energy: 1.0699977566503511
Energy: 1.3719520917229036
Energy: 1.2528468650328326
Energy: 1.3719520917217067
Energy: 1.0699977566503511
Energy: 1.3719520917211083
Energy: 1.2550028373815734
Energy: 1.3239661585762241
Energy: 1.4573732278420926
Energy: 1.3239661585762241
Energy: 1.2550028373821718
Energy: 1.3239661585756257
Energy: 1.0772967526338724
Energy: 1.3456681655529892
Energy: 1.1603099138122426
Energy: 1.3456681655529892
Energy: 1.077296752634471
Energy: 1.3456681655529892
Energy: 1.3301139519725946
Energy: 1.33426062112711
Energy: 1.266614957023937
Energy: 1.3342606211265113
Energy: 1.3301139519725946
Energy: 1.3342606211265113
Energy: 1.1145726782503484
Energy: 1.3722245143301681
Energy: 1.1705832662849163
Energy: 1.3722245143289709
Energy: 1.1145726782503484
Energy: 1.3722245143289709
Energy: 1.6171120032198487
Energy: 1.3122981250465808
Energy: 1.129188427799094
Energy: 1.3122981250477777
Energy: 1.617112003220447
Energy: 1.3122981250477777
Energy: 1.150027216361585
Energy: 1.3544550567501652
Energy: 1.067251617766979
Energy: 1.3544550567501652
Energy: 1.1500272163621834
Energy: 1.3544550567501652
Energy: 1.674854929683613
Energy: 1.2717868103838195
Energy: 1.1317074642457694
Energy: 1.271786810385615
Energy: 1.6748549296830146
Energy: 1.2717868103862133
Energy: 1.454404389582014
Energy: 1.3870494702900278
Energy: 1.0818774935661535
Energy: 1.3870494702924216
Energy: 1.454404389582014
Energy: 1.38704947029302
Energy: 1.9829977738048645
Energy: 1.1444909763947664
Energy: 0.976817358710251
Energy: 1.1444909763953648
Energy: 1.9829977738048645
Energy: 1.1444909763929711
Energy: 1.4935007988896674
Energy: 1.3639376508852663
Energy: 1.2268489592146568
Energy: 1.3639376508852663
Energy: 1.4935007988884703
Energy: 1.3639376508852663
Energy: 1.6701323619890547
Energy: 1.228684409520383
Energy: 1.1340733622705907
Energy: 1.22868440952158
Energy: 1.670132361988456
Energy: 1.22868440952158
Energy: 1.4533285388166415
Energy: 1.3505190536040865
Energy: 1.2278445858712794
Energy: 1.35051905360648
Energy: 1.45332853881724
Energy: 1.35051905360648
Energy: 1.675772133079695
Energy: 1.2147211476555053
Energy: 1.036409162569966
Energy: 1.2147211476561035
Energy: 1.675772133079695
Energy: 1.2147211476555053
Energy: 1.1500804115223906
Energy: 1.3285048014398688
Energy: 1.2110575669632742
Energy: 1.328504801441664
Energy: 1.1500804115205954
Energy: 1.3285048014404672
Energy: 1.441816335680595
Energy: 1.2895707180624743
Energy: 1.0430297253274183
Energy: 1.2895707180618756
Energy: 1.4418163356799967
Energy: 1.2895707180618756
Energy: 1.1139239008536879
Energy: 1.3121061098523132
Energy: 1.5200929358709039
Energy: 1.31210610985351
Energy: 1.1139239008542863
Energy: 1.3121061098523132
Energy: 1.5240155841439902
Energy: 1.3196455126286606
Energy: 1.1427794521177013
Energy: 1.3196455126268651
Energy: 1.5240155841433918
Energy: 1.3196455126262665
Energy: 1.076223161372157
Energy: 1.248874643628198
Energy: 1.4936027076104723
Energy: 1.2488746436305918
Energy: 1.076223161372157
Energy: 1.248874643629395
Energy: 1.2377744463679075
Energy: 1.3265579330474557
Energy: 1.156026797558945
Energy: 1.326557933048653
Energy: 1.237774446368506
Energy: 1.326557933048653
Energy: 1.0402064273955824
Energy: 1.2062492854971345
Energy: 1.6781385069347128
Energy: 1.2062492854971345
Energy: 1.040206427397976
Energy: 1.2062492854977325
Energy: 1.253178963155543
Energy: 1.3855007049369488
Energy: 1.43206482058594
Energy: 1.3855007049369488
Energy: 1.2531789631561414
Energy: 1.3855007049369488
Energy: 1.1464035390399212
Energy: 1.2584817535781683
Energy: 1.6701806899392855
Energy: 1.2584817535775696
Energy: 1.146403539041118
Energy: 1.2584817535775696
Energy: 1.1775928864030007
Energy: 1.354078921110594
Energy: 1.408564609544115
Energy: 1.3540789211099955
Energy: 1.177592886401804
Energy: 1.354078921109397
Energy: 0.9981997110320616
Energy: 1.296690477286011
Energy: 1.8777988370345198
Energy: 1.2966904772836716
Energy: 0.9981997110320616
Energy: 1.296690477284814
Energy: 1.0335549781003373
Energy: 1.3756130644286397
Energy: 1.4323674724411408
Energy: 1.3756130644280413
Energy: 1.0335549780997388
Energy: 1.3756130644274427
Energy: 1.1813471019051076
Energy: 1.3086359551107463
Energy: 1.6779613457211389
Energy: 1.3086359551113447
Energy: 1.1813471019051076
Energy: 1.3086359551113447
Energy: 1.089311842289818
Energy: 1.3437612315343663
Energy: 1.1561918577365207
Energy: 1.34376123153676
Energy: 1.0893118422892198
Energy: 1.3437612315349645
Energy: 1.0644700483932117
Energy: 1.306700298941346
Energy: 1.5747610709856228
Energy: 1.306700298940149
Energy: 1.064470048392015
Energy: 1.306700298940149
Energy: 1.1465303227223067
Energy: 1.3630144039897947
Energy: 1.1428167039568697
Energy: 1.363014403989196
Energy: 1.1465303227211097
Energy: 1.3630144039897947

minimum gb energy = 0.9736845674131607 eV
minimum distance =  2.27029500515574 Angstroms
sigma value = 67


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

Energy: 0.2745128334507802
Energy: 0.27587687729792004
Energy: 0.8882545299883151
Energy: 0.27587687729751104
Energy: 0.2745128334511892
Energy: 0.27587687729751104
Energy: 0.34689371122504553
Energy: 0.8295224361729172
Energy: 0.7971626974934399
Energy: 0.8295224361729172
Energy: 0.34689371122540913
Energy: 0.8295224361733263
Energy: 0.2745128334511892
Energy: 0.27587687729792004
Energy: 0.8882545299883151
Energy: 0.27587687729751104
Energy: 0.2745128334511892
Energy: 0.27587687729751104
Energy: 0.34689371122540913
Energy: 0.8295224361729172
Energy: 0.7971626974810551
Energy: 0.8295224361725082
Energy: 0.34689371122540913
Energy: 0.8295224361733263
Energy: 0.2745128334511892
Energy: 0.27587687729751104
Energy: 1.4663332134568134
Energy: 0.275876877297102
Energy: 0.2745128334511892
Energy: 0.27587687729751104
Energy: 0.34689371122504553
Energy: 0.8295224361729172
Energy: 0.7971626974818505
Energy: 0.8295224361725082
Energy: 0.34689371122540913
Energy: 0.8295224361729172
Energy: 0.2745128334507802
Energy: 0.27587687729792004
Energy: 1.7703291771857064
Energy: 0.27587687729792004
Energy: 0.2745128334511892
Energy: 0.275876877297102

minimum gb energy = 0.2745128334507802 eV
minimum distance =  2.4484384082577 Angstroms
sigma value = 3


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

Energy: 1.5936177593227074
Energy: 1.2575319695398886
Energy: 1.16681679741177
Energy: 1.2575319695398886
Energy: 1.5936177593232517
Energy: 1.257531969540977
Energy: 1.9121735002727742
Energy: 0.9168774886847516
Energy: 0.9321768096517007
Energy: 0.9168774886847516
Energy: 1.9121735002738625
Energy: 0.9168774886847516
Energy: 1.582191353726377
Energy: 1.2548379672948826
Energy: 1.0250036571960852
Energy: 1.2548379672959713
Energy: 1.5821913537258325
Energy: 1.2548379672943386
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Energy: 1.2309169389382626
Energy: 0.88768262292666
Energy: 1.0583487130813054
Energy: 1.6473928866519818
Energy: 1.058348713090558
Energy: 0.8876826229255714
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Energy: 1.2038263315200741
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Energy: 0.9476780016760752
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Energy: 0.947678001675531
Energy: 1.2726861936959173
Energy: 0.9414110200856447
Energy: 1.2869309851625996
Energy: 1.2852165081793967
Energy: 1.2869309851598782
Energy: 0.9414110200845562
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Energy: 0.9387447353572934
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Energy: 1.2886169007498045
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Energy: 1.1705633489578071
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Energy: 0.9732548799475639
Energy: 1.2694378712879582
Energy: 1.2845896965476364
Energy: 1.269437871287414
Energy: 1.5205634098862904
Energy: 1.2678001596622197
Energy: 0.8981011460120852
Energy: 1.2678001596616755
Energy: 1.5205634098862904
Energy: 1.2678001596627637
Energy: 1.5345473204162463
Energy: 1.2717873520778085
Energy: 0.9440566710962276
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Energy: 1.5345473204173348
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Energy: 1.5444063051228893
Energy: 1.2684705351186412
Energy: 1.1766208071944373
Energy: 1.268470535118097
Energy: 1.544406305124522
Energy: 1.268470535118097
Energy: 1.4902482141379154
Energy: 1.281272058588731
Energy: 0.9109220467298882
Energy: 1.2812720585881867
Energy: 1.4902482141384596
Energy: 1.2812720585876425
Energy: 1.6314200722032068
Energy: 1.272945824282846
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Energy: 1.4603598134717377
Energy: 1.2700171801324558
Energy: 1.18028130162467
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Energy: 1.2700171801319118
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Energy: 1.2437970247288597
Energy: 0.8949797539270623
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Energy: 1.4693362183028729
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Energy: 1.2876464577923206
Energy: 1.2561696957196418
Energy: 0.9022092749681903
Energy: 1.256169695720186
Energy: 1.2876464577917763
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Energy: 1.3394287495713713
Energy: 1.2715445147789033
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Energy: 1.2715445147789033
Energy: 1.339428749574637
Energy: 1.2715445147783593
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Energy: 1.2119928355654466
Energy: 1.1562431004461742
Energy: 1.2119928355670795
Energy: 1.233467229687395
Energy: 1.2119928355627252
Energy: 1.198726843699247
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Energy: 0.9702605518205436
Energy: 1.2409111604091927
Energy: 1.1987268436981589
Energy: 1.2409111604108254
Energy: 0.9837441962851105
Energy: 1.2209940482999324
Energy: 1.1757104329831096
Energy: 1.2209940483004764
Energy: 0.9837441962856548
Energy: 1.2209940482988437
Energy: 1.047640838204622
Energy: 1.2575727723958483
Energy: 1.2848773659846575
Energy: 1.2575727723958483
Energy: 1.0476408381986353
Energy: 1.257572772395304
Energy: 0.9406633483933576
Energy: 1.163081027477345
Energy: 1.4246780460652784
Energy: 1.1630810274778893
Energy: 0.9406633483933576
Energy: 1.1630810274778893
Energy: 1.0214278002466577
Energy: 1.2142788306774706
Energy: 1.292834032531639
Energy: 1.214278830678559
Energy: 1.0214278002477462
Energy: 1.2142788306774706
Energy: 0.93893115505325
Energy: 1.181834066330231
Energy: 1.4551173744501034
Energy: 1.181834066332408
Energy: 0.9389311550516171
Energy: 1.181834066332408
Energy: 1.1518255099875567
Energy: 1.2477729118098344
Energy: 1.5973422116366316
Energy: 1.2477729118098344
Energy: 1.1518255099875567
Energy: 1.2477729118098344
Energy: 0.9394624604519408
Energy: 0.9152903342111058
Energy: 1.6263637509321383
Energy: 0.9152903342127386
Energy: 0.9394624604508522
Energy: 0.9152903342105616
Energy: 0.9228003756263905
Energy: 1.2666560633723025
Energy: 1.608129017350663
Energy: 1.2666560633728468
Energy: 0.9228003756263905
Energy: 1.2666560633723025
Energy: 0.939357445194133
Energy: 1.0693063622235288
Energy: 1.6260561516601106
Energy: 1.0693063622229846
Energy: 0.9393574451946772
Energy: 1.0693063622224404
Energy: 0.9432544204539755
Energy: 1.2471696327748096
Energy: 1.5972268516839374
Energy: 1.2471696327758983
Energy: 0.9432544204550639
Energy: 1.2471696327764425
Energy: 0.89077552767904
Energy: 0.9244678131639033
Energy: 1.6571263277064991
Energy: 0.9244678131628148
Energy: 0.89077552767904
Energy: 0.9244678131628148
Energy: 1.1322868446029557
Energy: 1.2226400735776883
Energy: 1.292506471235202
Energy: 1.2226400735776883
Energy: 1.1322868446035
Energy: 1.2226400735766
Energy: 0.9621474084181858
Energy: 1.1987750121693057
Energy: 1.3606104190938892
Energy: 1.1987750121709384
Energy: 0.9621474084165529
Energy: 1.198775012168217
Energy: 1.320404091153805
Energy: 1.210214297713956
Energy: 1.2851534229505266
Energy: 1.210214297711779
Energy: 1.320404091153261
Energy: 1.210214297715589

minimum gb energy = 0.8876826229255714 eV
minimum distance =  2.25005439182115 Angstroms
sigma value = 81


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

Energy: 1.6988563458431805
Energy: 1.4854740081280162
Energy: 1.310227097561071
Energy: 1.4854740081272693
Energy: 1.6988563458431805
Energy: 1.4854740081272693
Energy: 1.914196366794251
Energy: 1.0253639311319138
Energy: 1.0504419619630694
Energy: 1.0253639311311666
Energy: 1.914196366793504
Energy: 1.0253639311311666
Energy: 1.5989797685284732
Energy: 1.419987821658829
Energy: 1.3523840947648003
Energy: 1.419987821658829
Energy: 1.5989797685292202
Energy: 1.419987821658829
Energy: 1.763966905325933
Energy: 1.0976796117867516
Energy: 1.0788178984493997
Energy: 1.0976796117867516
Energy: 1.7639669053266798
Energy: 1.0976796117860044
Energy: 1.2175892217082183
Energy: 1.407825219926559
Energy: 1.327063228181891
Energy: 1.407825219926559
Energy: 1.2175892217089652
Energy: 1.407825219926559
Energy: 1.5989144960880965
Energy: 1.4057314720694953
Energy: 1.2145390505546805
Energy: 1.4057314720680014
Energy: 1.5989144960873496
Energy: 1.4057314720672545
Energy: 1.1325578669220158
Energy: 1.4318958801122341
Energy: 1.3524872551411606
Energy: 1.4318958801129813
Energy: 1.1325578669220158
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Energy: 1.42306190030439
Energy: 1.417198672013497
Energy: 1.2315396351075356
Energy: 1.4171986720120031
Energy: 1.423061900303643
Energy: 1.4171986720127503
Energy: 1.0137516368164323
Energy: 1.3034978511466153
Energy: 1.8055931974952442
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Energy: 1.0137516368156854
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Energy: 1.4163642706459554
Energy: 1.492391810844689
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Energy: 1.4163642706452084
Energy: 1.0192203901908163
Energy: 1.3074751213833262
Energy: 1.6122162017925805
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Energy: 1.0192203901915635
Energy: 1.3074751213825788
Energy: 1.0227938536917762
Energy: 1.4335323923456138
Energy: 1.5621952623880708
Energy: 1.4335323923456138
Energy: 1.0227938536925232
Energy: 1.4335323923456138
Energy: 1.0218686099490528
Energy: 1.3315992823788367
Energy: 1.7801489816426732
Energy: 1.3315992823788367
Energy: 1.0218686099490528
Energy: 1.3315992823788367
Energy: 1.093100875917274
Energy: 1.4162632340695582
Energy: 1.576232099822996
Energy: 1.4162632340695582
Energy: 1.093100875917274
Energy: 1.4162632340703054
Energy: 1.1405635747266052
Energy: 1.3748077440110396
Energy: 1.4884141466935052
Energy: 1.3748077440102924
Energy: 1.1405635747273521
Energy: 1.3748077440102924
Energy: 1.0874825709224225
Energy: 1.43378080655186
Energy: 1.2329338135090633
Energy: 1.4337808065511128
Energy: 1.0874825709231697
Energy: 1.43378080655186
Energy: 1.1661532949847684
Energy: 1.429433080853306
Energy: 1.4685705646571912
Energy: 1.4294330808518119
Energy: 1.1661532949855153
Energy: 1.4294330808518119
Energy: 1.5546090377292383
Energy: 1.406326225203434
Energy: 1.2100710415950189
Energy: 1.406326225202687
Energy: 1.5546090377299855
Energy: 1.406326225202687
Energy: 1.5496391696285186
Energy: 1.4629329476974422
Energy: 1.0959969168211265
Energy: 1.4629329476966952
Energy: 1.5496391696285186
Energy: 1.4629329476966952
Energy: 1.491776593557585
Energy: 1.4369147456352278
Energy: 1.076493779713821
Energy: 1.4369147456337341
Energy: 1.491776593559079
Energy: 1.436914745634481
Energy: 1.4928429232144147
Energy: 1.460065419405259
Energy: 1.2969349255714762
Energy: 1.460065419405259
Energy: 1.4928429232136675
Energy: 1.460065419405259
Energy: 1.728957193349178
Energy: 1.357724280952311
Energy: 1.0324128194857212
Energy: 1.3577242809500698
Energy: 1.7289571933484311
Energy: 1.3577242809500698
Energy: 1.7189938022252562
Energy: 1.4399323181991843
Energy: 1.0264929732481327
Energy: 1.4399323181976904
Energy: 1.7189938022342202
Energy: 1.4399323181991843
Energy: 1.4930558831443252
Energy: 1.4542538290038776
Energy: 1.1792765533073701
Energy: 1.4542538290038776
Energy: 1.4930558831435783
Energy: 1.4542538290038776
Energy: 1.361513298262425
Energy: 1.466667142613312
Energy: 1.0539486114646532
Energy: 1.466667142612565
Energy: 1.361513298257943
Energy: 1.466667142611818
Energy: 1.4836542287543475
Energy: 1.4471040301946476
Energy: 1.0957770700838962
Energy: 1.4471040301946476
Energy: 1.4836542287550947
Energy: 1.4471040301946476
Energy: 1.546408921485767
Energy: 1.432654710024026
Energy: 1.1566901782686518
Energy: 1.432654710024026
Energy: 1.5464089214850198
Energy: 1.432654710024026
Energy: 1.1557578281344936
Energy: 1.407965340666042
Energy: 1.2851712428492807
Energy: 1.407965340665295
Energy: 1.1557578281352408
Energy: 1.4079653406645478
Energy: 1.1515810683759844
Energy: 1.4569434804334445
Energy: 1.2200372716811578
Energy: 1.4569434804334445
Energy: 1.1515810683759844
Energy: 1.4569434804334445
Energy: 1.1676850457574282
Energy: 1.3748077440125335
Energy: 1.5230435721855895
Energy: 1.3748077440125335
Energy: 1.1676850457574282
Energy: 1.3748077440125335
Energy: 1.1293605495734005
Energy: 1.468016922477237
Energy: 1.5719296764379083
Energy: 1.468016922477237
Energy: 1.1293605495726537
Energy: 1.4680169224765238
Energy: 1.0559760428084453
Energy: 1.4423636405865432
Energy: 1.729873584141915
Energy: 1.4423636405850493
Energy: 1.0559760428084453
Energy: 1.4423636405865432
Energy: 1.0202040461682942
Energy: 1.4173445248304106
Energy: 1.5621118324538177
Energy: 1.4173445248296639
Energy: 1.0202040461682942
Energy: 1.417344524828917
Energy: 1.0188072970469924
Energy: 1.105857191641036
Energy: 1.6205246994903697
Energy: 1.105857191640289
Energy: 1.0188072970469924
Energy: 1.105857191641036
Energy: 1.15495623425337
Energy: 1.4676158413940903
Energy: 1.5719730660822768
Energy: 1.4676158413940903
Energy: 1.154956234252623
Energy: 1.4676158413948377
Energy: 1.0136634746216364
Energy: 1.2020358882685083
Energy: 1.5147235784890245
Energy: 1.202035888269255
Energy: 1.0136634746223832
Energy: 1.2020358882700022
Energy: 1.2750774313281639
Energy: 1.4201439324755118
Energy: 1.2154037153537864
Energy: 1.420143932474765
Energy: 1.2750774313281639
Energy: 1.4201439324755118
Energy: 1.132480511792653
Energy: 1.4252665418775405
Energy: 1.3140270412436956
Energy: 1.4252665418760464
Energy: 1.132480511792653
Energy: 1.4252665418760464

minimum gb energy = 1.0136634746216364 eV
minimum distance =  2.16315421111422 Angstroms
sigma value = 43


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

Energy: 1.6641171002239468
Energy: 1.581524409108868
Energy: 1.4574437384527341
Energy: 1.581524409108868
Energy: 1.6641171002239468
Energy: 1.5815244091097855
Energy: 1.8508979642608379
Energy: 1.1428130806433285
Energy: 1.119021164677486
Energy: 1.1428130806433285
Energy: 1.8508979642617556
Energy: 1.1428130806433285
Energy: 1.204202045256587
Energy: 1.525106854322258
Energy: 1.2302149259071053
Energy: 1.525106854322258
Energy: 1.2042020452556692
Energy: 1.525106854322258
Energy: 1.680559370670376
Energy: 1.0656458760138465
Energy: 1.0551055150015787
Energy: 1.0656458760138465
Energy: 1.6805593706712938
Energy: 1.0656458760138465
Energy: 1.0815442186275208
Energy: 1.5534605905397383
Energy: 1.4355797737540075
Energy: 1.5534605905388206
Energy: 1.0815442186275208
Energy: 1.5534605905388206
Energy: 1.313135543358237
Energy: 1.5637631265960321
Energy: 1.1222957261369002
Energy: 1.5637631265960321
Energy: 1.313135543358237
Energy: 1.5637631265960321
Energy: 1.0518391131371712
Energy: 1.306956948488609
Energy: 1.3392435135523353
Energy: 1.306956948488609
Energy: 1.0518391131371712
Energy: 1.306956948488609
Energy: 1.189078709548099
Energy: 1.5468305321785176
Energy: 1.2157420229810818
Energy: 1.5468305321785176
Energy: 1.189078709548099
Energy: 1.5468305321785176
Energy: 1.06511853177959
Energy: 1.3147629739830955
Energy: 1.864486235896899
Energy: 1.3147629739830955
Energy: 1.06511853177959
Energy: 1.3147629739830955
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Energy: 1.5843787326425758
Energy: 1.654502022409881
Energy: 1.5843787326434935
Energy: 1.1070842893018757
Energy: 1.5843787326434935
Energy: 1.1355884181549891
Energy: 1.5667642816770126
Energy: 1.3402046610229488
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Energy: 1.1355884181559068
Energy: 1.5667642816770126
Energy: 1.0650618453904341
Energy: 1.5469621725190572
Energy: 1.2155889576079137
Energy: 1.5469621725190572
Energy: 1.0650618453904341
Energy: 1.5469621725190572
Energy: 1.0652318195349986
Energy: 1.0655282175222691
Energy: 1.5424769856137526
Energy: 1.0655282175213516
Energy: 1.0652318195349986
Energy: 1.0655282175213516
Energy: 1.0549668586435341
Energy: 1.5550868066617825
Energy: 1.131907986305275
Energy: 1.5550868066617825
Energy: 1.0549668586444514
Energy: 1.5550868066627
Energy: 1.1357814340898926
Energy: 1.5299336124124443
Energy: 1.06739705476098
Energy: 1.5299336124133618
Energy: 1.1357814340898926
Energy: 1.5299336124124443
Energy: 1.338947266004178
Energy: 1.2969787345234431
Energy: 1.0511235188391288
Energy: 1.2969787345234431
Energy: 1.3389472660050956
Energy: 1.2969787345234431
Energy: 1.6359141549046892
Energy: 1.537683037439837
Energy: 1.5867958870685344
Energy: 1.5376830374407546
Energy: 1.6359141549046892
Energy: 1.537683037439837
Energy: 1.3680061294351082
Energy: 1.5368251693748638
Energy: 1.0726839745022783
Energy: 1.5368251693748638
Energy: 1.3680061294360257
Energy: 1.5368251693748638
Energy: 1.5711647542119318
Energy: 1.5727776713533086
Energy: 1.0673180196992025
Energy: 1.5727776713523913
Energy: 1.5711647542119318
Energy: 1.5727776713533086
Energy: 1.6347826351848662
Energy: 1.5407331610763442
Energy: 1.05141619057546
Energy: 1.5407331610763442
Energy: 1.6347826351848662
Energy: 1.5407331610763442
Energy: 1.635853342119315
Energy: 1.6540675668127651
Energy: 1.0648679250317505
Energy: 1.6540675668127651
Energy: 1.635853342119315
Energy: 1.6540675668118476
Energy: 1.1372596319839638
Energy: 1.5371098357208692
Energy: 1.066074830030901
Energy: 1.5371098357208692
Energy: 1.1372596319839638
Energy: 1.5371098357208692
Energy: 1.1365170224147603
Energy: 1.5559037733812553
Energy: 1.1240942342276408
Energy: 1.5559037733812553
Energy: 1.136517022415678
Energy: 1.5559037733812553
Energy: 1.0651366030913734
Energy: 1.5370667781875824
Energy: 1.0500552312494744
Energy: 1.5370667781875824
Energy: 1.0651366030922909
Energy: 1.5370667781875824
Energy: 1.0649727475427426
Energy: 1.6427747477101493
Energy: 1.2142295172189186
Energy: 1.6427747477101493
Energy: 1.0649727475427426
Energy: 1.6427747477101493
Energy: 1.1337942165150892
Energy: 1.5620378098116563
Energy: 1.3413080830235824
Energy: 1.5620378098116563
Energy: 1.1337942165150892
Energy: 1.5620378098116563
Energy: 1.105797358261307
Energy: 1.5796575336527785
Energy: 1.569562605965356
Energy: 1.5796575336527785
Energy: 1.105797358261307
Energy: 1.5796575336527785
Energy: 1.0666927869832312
Energy: 1.5976247353706605
Energy: 1.3677515795224438
Energy: 1.5976247353706605
Energy: 1.0666927869841487
Energy: 1.5976247353706605
Energy: 1.1911081005075181
Energy: 1.546750140466556
Energy: 1.2142724974167962
Energy: 1.546750140466556
Energy: 1.1911081005075181
Energy: 1.546750140466556
Energy: 1.0545928956385284
Energy: 1.2957973591891163
Energy: 1.340225902121465
Energy: 1.2957973591891163
Energy: 1.0545928956385284
Energy: 1.2957973591900338
Energy: 1.0918734414100146
Energy: 1.5459452740082562
Energy: 1.1236230806570975
Energy: 1.5459452740073385
Energy: 1.0918734414100146
Energy: 1.5459452740073385

minimum gb energy = 1.0500552312494744 eV
minimum distance =  2.16819145198075 Angstroms
sigma value = 57


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

Energy: 1.3587641709750196
Energy: 1.7148761049054257
Energy: 1.6245632914249757
Energy: 1.7148761049066137
Energy: 1.3587641709738316
Energy: 1.7148761049054257
Energy: 1.509923876293954
Energy: 1.2520848528467163
Energy: 1.1466223095194465
Energy: 1.2520848528467163
Energy: 1.509923876293954
Energy: 1.2520848528467163
Energy: 1.162937246932939
Energy: 1.6975460605121089
Energy: 1.3357796508358126
Energy: 1.6975460605121089
Energy: 1.162937246932939
Energy: 1.6975460605121089
Energy: 1.4994833299051282
Energy: 1.1475373949951877
Energy: 1.1411850429381163
Energy: 1.147537394996376
Energy: 1.4994833299039403
Energy: 1.1475373949951877
Energy: 1.140251097652076
Energy: 1.1839189462059105
Energy: 1.46207627889697
Energy: 1.1839189462070987
Energy: 1.140251097652076
Energy: 1.1839189462059105
Energy: 1.1528969230049693
Energy: 1.7579550291052584
Energy: 1.1559052612407208
Energy: 1.7579550291040704
Energy: 1.1528969230049693
Energy: 1.7579550291040704
Energy: 1.145553587906821
Energy: 1.4409199448004462
Energy: 1.5073470669191755
Energy: 1.4409199448004462
Energy: 1.145553587905633
Energy: 1.4409199448004462
Energy: 1.1687637184809445
Energy: 1.7568468197268776
Energy: 1.3601173717973456
Energy: 1.7568468197268776
Energy: 1.1687637184821327
Energy: 1.7568468197268776
Energy: 1.1472369253591068
Energy: 1.2524834730950907
Energy: 1.4690083223028907
Energy: 1.2524834730950907
Energy: 1.1472369253591068
Energy: 1.2524834730950907
Energy: 1.144917765965829
Energy: 1.7363892762410202
Energy: 1.1529522045779024
Energy: 1.7363892762410202
Energy: 1.144917765965829
Energy: 1.7363892762410202
Energy: 1.1456980703678505
Energy: 1.1466550929625972
Energy: 1.141352486655122
Energy: 1.1466550929625972
Energy: 1.1456980703678505
Energy: 1.1466550929625972
Energy: 1.3222297728126389
Energy: 1.435205263153395
Energy: 1.1352907754695774
Energy: 1.435205263153395
Energy: 1.3222297728126389
Energy: 1.435205263153395
Energy: 1.2315965032849048
Energy: 1.7087532039141171
Energy: 1.2553718433324195
Energy: 1.7087532039141171
Energy: 1.231596503286093
Energy: 1.7087532039141171
Energy: 1.5245892195139645
Energy: 1.4672182560081508
Energy: 1.1513938191925588
Energy: 1.4672182560081508
Energy: 1.5245892195139645
Energy: 1.467218256009339
Energy: 1.9240312959439827
Energy: 1.7458366268030945
Energy: 1.1616054437087566
Energy: 1.7458366268030945
Energy: 1.9240312959439827
Energy: 1.7458366268030945
Energy: 1.1276522500318387
Energy: 1.7062296087443032
Energy: 1.2347158273558465
Energy: 1.7062296087454911
Energy: 1.1276522500318387
Energy: 1.7062296087454911
Energy: 1.231134663211701
Energy: 1.435129744884796
Energy: 1.1456548840651635
Energy: 1.435129744884796
Energy: 1.231134663211701
Energy: 1.435129744884796
Energy: 1.1422047357670668
Energy: 1.487465088188976
Energy: 1.1422252075521524
Energy: 1.487465088187788
Energy: 1.1422047357670668
Energy: 1.487465088188976
Energy: 1.1457026830883528
Energy: 1.4360612214774717
Energy: 1.2312638964002633
Energy: 1.4360612214786597
Energy: 1.1457026830871646
Energy: 1.4360612214786597
Energy: 1.2337442994581012
Energy: 1.706279778318336
Energy: 1.1273440465224818
Energy: 1.706279778318336
Energy: 1.2337442994581012
Energy: 1.706279778318336
Energy: 1.16145983988205
Energy: 1.7459507492131496
Energy: 1.9238774638776028
Energy: 1.7459507492131496
Energy: 1.1614598398808618
Energy: 1.745950749214338
Energy: 1.1513678484852896
Energy: 1.45843733285889
Energy: 1.5241023173623627
Energy: 1.4584373328577018
Energy: 1.1513678484852896
Energy: 1.45843733285889
Energy: 1.2108442815043432
Energy: 1.709143071177488
Energy: 1.2314218909279908
Energy: 1.709143071177488
Energy: 1.2108442815043432
Energy: 1.709143071177488
Energy: 1.1353164459530365
Energy: 1.4352176248555704
Energy: 1.3221920682192743
Energy: 1.4352176248567583
Energy: 1.1353164459530365
Energy: 1.4352176248555704

minimum gb energy = 1.1273440465224818 eV
minimum distance =  2.19093506249429 Angstroms
sigma value = 17


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

Energy: 1.2324026713993002
Energy: 1.2315015447345417
Energy: 1.7854428804230689
Energy: 1.2315015447328614
Energy: 1.2324026713993002
Energy: 1.2315015447328614
Energy: 1.2738988206923318
Energy: 1.24397781245505
Energy: 1.2441107533055766
Energy: 1.24397781245505
Energy: 1.2738988206923318
Energy: 1.24397781245505
Energy: 1.2502602099946911
Energy: 1.2539383516788742
Energy: 1.4957885647252418
Energy: 1.2539383516788742
Energy: 1.2502602099946911
Energy: 1.2539383516788742
Energy: 1.4912762673323217
Energy: 1.2515435625784586
Energy: 1.2491454430934452
Energy: 1.2515435625784586
Energy: 1.4912762673323217
Energy: 1.2515435625784586
Energy: 1.2392614730518814
Energy: 1.2396062416400884
Energy: 1.573387186972348
Energy: 1.2396062416400884
Energy: 1.2392614730518814
Energy: 1.2396062416400884
Energy: 1.250136936414951
Energy: 1.2368958565525954
Energy: 1.2341220708993244
Energy: 1.2368958565525954
Energy: 1.250136936416631
Energy: 1.2368958565525954
Energy: 1.247304198418492
Energy: 1.4479184986965077
Energy: 1.2753545317320516
Energy: 1.4479184986965077
Energy: 1.247304198418492
Energy: 1.4479184986965077
Energy: 1.4708672874175657
Energy: 1.3903371710905654
Energy: 1.2493329350439883
Energy: 1.3903371710905654
Energy: 1.4708672874192459
Energy: 1.3903371710905654
Energy: 1.2393502716108837
Energy: 1.2494183899428717
Energy: 1.4151757814913255
Energy: 1.2494183899428717
Energy: 1.2393502716108837
Energy: 1.2494183899428717
Energy: 1.482085732165371
Energy: 1.2163641485190697
Energy: 1.2389384046264236
Energy: 1.2163641485190697
Energy: 1.482085732165371
Energy: 1.2163641485190697
Energy: 1.2403602379947953
Energy: 1.6493613252808026
Energy: 1.251141441622937
Energy: 1.6493613252808026
Energy: 1.2403602379947953
Energy: 1.6493613252791224
Energy: 1.2390167021164802
Energy: 1.2379514148175819
Energy: 1.2510164234285783
Energy: 1.2379514148175819
Energy: 1.2390167021164802
Energy: 1.2379514148159019
Energy: 1.239045556720562
Energy: 1.3919906207849597
Energy: 1.2375312837478367
Energy: 1.3919906207832797
Energy: 1.239045556720562
Energy: 1.3919906207832797
Energy: 1.3102276786265477
Energy: 1.2379926695399037
Energy: 1.2388297207277112
Energy: 1.2379926695399037
Energy: 1.3102276786265477
Energy: 1.2379926695382237
Energy: 1.2427916631876386
Energy: 1.6509829651999106
Energy: 1.2496103388387514
Energy: 1.6509829651999106
Energy: 1.2427916631876386
Energy: 1.6509829651999106
Energy: 1.2459886732466374
Energy: 1.6475615426096661
Energy: 1.2413033292715934
Energy: 1.6475612080693558
Energy: 1.2459886732466374
Energy: 1.6475614990061282
Energy: 1.2586171584677541
Energy: 1.2378327035945556
Energy: 1.2376730837940715
Energy: 1.2378327035962355
Energy: 1.2586171584677541
Energy: 1.2378327035962355

minimum gb energy = 1.2163641485190697 eV
minimum distance =  2.26352557499036 Angstroms
sigma value = 17


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

Energy: 1.7898902529800376
Energy: 1.9661967388724675
Energy: 1.8452186812246125
Energy: 1.9661967388724675
Energy: 1.7898902529800376
Energy: 1.9661967388731165
Energy: 1.6190197154761956
Energy: 1.2800316602858126
Energy: 1.2607036548892803
Energy: 1.2800316602858126
Energy: 1.6190197154729515
Energy: 1.2800316602845445
Energy: 1.2510018296043237
Energy: 1.3324595608360392
Energy: 1.5492471686369633
Energy: 1.3324595608360392
Energy: 1.2510018296056211
Energy: 1.332459560837986
Energy: 1.528825529757122
Energy: 1.7910573096829496
Energy: 1.3313555877468193
Energy: 1.7910573096835982
Energy: 1.5288255297577709
Energy: 1.7910573096829496
Energy: 1.2589026361529965
Energy: 1.3267225416050503
Energy: 1.6585836777616334
Energy: 1.3267225416056991
Energy: 1.2589026361529965
Energy: 1.3267225416056991
Energy: 1.6767536516689854
Energy: 1.7633349343429312
Energy: 1.4394057347439484
Energy: 1.7633349343429312
Energy: 1.6767536516702828
Energy: 1.7633349343461753
Energy: 1.2603067588486512
Energy: 1.360357178200979
Energy: 1.5925643061259702
Energy: 1.360357178201628
Energy: 1.2603067588486512
Energy: 1.3603571782022765
Energy: 1.6994178304239997
Energy: 1.5080256451669165
Energy: 1.253743592332003
Energy: 1.50802564514875
Energy: 1.6994178304227023
Energy: 1.5080256450190477
Energy: 1.4039555678876787
Energy: 1.8038345793950221
Energy: 1.288737443149063
Energy: 1.8038345793950221
Energy: 1.4039555678876787
Energy: 1.8038345793950221
Energy: 1.7734209728378618
Energy: 1.3356464940698662
Energy: 1.262554970253362
Energy: 1.335646494070515
Energy: 1.7734209728378618
Energy: 1.335646494070515
Energy: 1.3370631494087215
Energy: 1.8414864285129335
Energy: 1.3614143911469971
Energy: 1.8414864285103383
Energy: 1.3370631494087215
Energy: 1.841486428510987
Energy: 1.2739833896942374
Energy: 1.8819542114431538
Energy: 1.2649405510051384
Energy: 1.881954211442505
Energy: 1.273983389696184
Energy: 1.881954211442505
Energy: 1.261290277458507
Energy: 1.5173664465526977
Energy: 1.7245734003163105
Energy: 1.5173664465533467
Energy: 1.261290277458507
Energy: 1.5173664465533467
Energy: 1.2913205482726
Energy: 1.8628684252552223
Energy: 1.8640254293994933
Energy: 1.862868425253925
Energy: 1.2913205482713024
Energy: 1.8628684252565202
Energy: 1.2872236061375788
Energy: 1.914193290487919
Energy: 1.3469584887747728
Energy: 1.914193290487919
Energy: 1.28722360613693
Energy: 1.9141932904892167
Energy: 1.3976289856378965
Energy: 1.8708052387236154
Energy: 1.2663414329726943
Energy: 1.8708052387236154
Energy: 1.3976289856365987
Energy: 1.8708052387236154
Energy: 1.3973790759399884
Energy: 1.8662921401821009
Energy: 1.319365438717696
Energy: 1.866292140181452
Energy: 1.3973790759406373
Energy: 1.866292140181452
Energy: 1.933442100232687
Energy: 1.7243827427260998
Energy: 1.2926924193949454
Energy: 1.7243827427260998
Energy: 1.933442100233336
Energy: 1.724382742725451
Energy: 1.6928656455079887
Energy: 1.673658565059547
Energy: 1.2715111134052848
Energy: 1.6736585650601958
Energy: 1.6928656455086377
Energy: 1.6736585650601958
Energy: 1.269080496200066
Energy: 1.6761981387120612
Energy: 1.2690583627043752
Energy: 1.6761981387276323
Energy: 1.269080496199417
Energy: 1.6761981387081681
Energy: 1.2715610443859489
Energy: 1.6731855598193424
Energy: 1.7547776904532146
Energy: 1.6731855598193424
Energy: 1.2715610443859489
Energy: 1.6731855598193424
Energy: 1.2926979803787337
Energy: 1.724275404178804
Energy: 1.9349482230413635
Energy: 1.7242754041768575
Energy: 1.2926979803793825
Energy: 1.7242754041801018
Energy: 1.2903883251970154
Energy: 1.845476763327716
Energy: 1.390004798263946
Energy: 1.845476763327716
Energy: 1.2903883251976642
Energy: 1.845476763327067
Energy: 1.2653388433038153
Energy: 1.5437291182058863
Energy: 1.3966275831666848
Energy: 1.5437291182052375
Energy: 1.2653388433038153
Energy: 1.5437291182026422
Energy: 1.3472355591739964
Energy: 1.9141104616611357
Energy: 1.2899920445262678
Energy: 1.9141104616617848
Energy: 1.3472355591739964
Energy: 1.9141104616611357
Energy: 1.8641972215523275
Energy: 1.7212983489930702
Energy: 1.2912408212858424
Energy: 1.7212983489943676
Energy: 1.8641972215523275
Energy: 1.7212983489950167
Energy: 1.7244600736728006
Energy: 1.5174202367861058
Energy: 1.2613532713867355
Energy: 1.5174202367861058
Energy: 1.7244600736740983
Energy: 1.517420236784808
Energy: 1.265020460530445
Energy: 1.8820209808828525
Energy: 1.2737832726135987
Energy: 1.8820209808828525
Energy: 1.265020460530445
Energy: 1.8820209808828525
Energy: 1.528482543306002
Energy: 1.8506827725218555
Energy: 1.3374455709854272
Energy: 1.850682772519909
Energy: 1.528482543306002
Energy: 1.8506827725218555
Energy: 1.2625587155827578
Energy: 1.6023432325995466
Energy: 1.774153599349126
Energy: 1.6023432325988978
Energy: 1.2625587155827578
Energy: 1.6023432325988978
Energy: 1.2882024155568885
Energy: 1.8044154536869843
Energy: 1.4045688660357825
Energy: 1.8044154536772523
Energy: 1.2882024155562397
Energy: 1.804415453695419
Energy: 1.253701457335936
Energy: 1.5085629417993665
Energy: 1.6994336649858806
Energy: 1.5085629417987176
Energy: 1.253701457335936
Energy: 1.5085629417993665
Energy: 1.5920888642254845
Energy: 1.360748612046012
Energy: 1.2603100012946427
Energy: 1.360748612046661
Energy: 1.592088864224187
Energy: 1.360748612046012
Energy: 1.3960121603711504
Energy: 1.9095350833514129
Energy: 1.6771111059187196
Energy: 1.9095350833514129
Energy: 1.3960121603705016
Energy: 1.9095350833514129
Energy: 1.566942656431023
Energy: 1.326722541606997
Energy: 1.2587431498138772
Energy: 1.326722541606997
Energy: 1.5669426564316715
Energy: 1.326722541606997
Energy: 1.332022107581118
Energy: 1.791260259970953
Energy: 1.52889313273394
Energy: 1.7912602599716019
Energy: 1.332022107582416
Energy: 1.7912602599716019
Energy: 1.5496220477382254
Energy: 1.3330954962549635
Energy: 1.2508330221994834
Energy: 1.3330954962556123
Energy: 1.5496220477375766
Energy: 1.3330954962556123
Energy: 1.2607389582992012
Energy: 1.2799717524029417
Energy: 1.618900068787001
Energy: 1.2799717524029417
Energy: 1.2607389582992012
Energy: 1.2799717524029417
Energy: 1.5740024435891118
Energy: 1.9661967388731165
Energy: 1.7898902529800376
Energy: 1.9661967388724675
Energy: 1.574002443588463
Energy: 1.9661967388731165
Energy: 1.2607036548886317
Energy: 1.2800316602851933
Energy: 1.619019715474249
Energy: 1.2800316602851933
Energy: 1.2607036548886317
Energy: 1.2800316602851933
Energy: 1.5492471686576954
Energy: 1.3324595608353906
Energy: 1.2510018296049723
Energy: 1.332459560834093
Energy: 1.5492471686570466
Energy: 1.3324595608353906
Energy: 1.3313555877455217
Energy: 1.7910573096842473
Energy: 1.528825529759717
Energy: 1.7910573096842473
Energy: 1.3313555877461707
Energy: 1.7910573096835982
Energy: 1.6585836777648775
Energy: 1.3267225416050503
Energy: 1.2589026361529965
Energy: 1.3267225416044017
Energy: 1.6585836777648775
Energy: 1.3267225416031039

minimum gb energy = 1.2508330221994834 eV
minimum distance =  2.24895999550838 Angstroms
sigma value = 57


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

Energy: 1.3801138483241948
Energy: 2.0392863726600527
Energy: 1.675375848375055
Energy: 2.0392863726600527
Energy: 1.3801138483231383
Energy: 2.0392863726600527
Energy: 1.3604472387216142
Energy: 1.262943596557105
Energy: 1.2626767050954522
Energy: 1.2629435965581615
Energy: 1.3604472387226705
Energy: 1.262943596557105
Energy: 1.2396299416814032
Energy: 1.3762956952150986
Energy: 1.7146838874902375
Energy: 1.3762956952150986
Energy: 1.2396299416814032
Energy: 1.3762956952150986
Energy: 1.6495297871161005
Energy: 1.3556741103271033
Energy: 1.3552981669029938
Energy: 1.3556741103281595
Energy: 1.6495297871161005
Energy: 1.3556741103249903
Energy: 1.2434313774375576
Energy: 1.340031549879374
Energy: 1.435499448128593
Energy: 1.3400315498783173
Energy: 1.2434313774365013
Energy: 1.340031549877261
Energy: 1.6501756319243592
Energy: 1.3558021574704815
Energy: 1.3552167878130807
Energy: 1.3558021574747072
Energy: 1.6501756319254155
Energy: 1.3558021574736507
Energy: 1.2399450061746005
Energy: 1.3852849617517187
Energy: 1.7292044817225878
Energy: 1.3852849617517187
Energy: 1.2399450061756565
Energy: 1.385284961749606
Energy: 1.6419467445367462
Energy: 1.3027991695516252
Energy: 1.261714297541184
Energy: 1.3027991695526817
Energy: 1.6419467445367462
Energy: 1.3027991695526817
Energy: 1.383728592885061
Energy: 2.009578623035201
Energy: 1.2645121629754805
Energy: 2.009578623034144
Energy: 1.3837285928840042
Energy: 2.009578623035201
Energy: 1.7152664025619528
Energy: 1.2666191851372843
Energy: 1.26655975694809
Energy: 1.2666191851383408
Energy: 1.715266402563009
Energy: 1.2666191851383408
Energy: 1.240036937980137
Energy: 1.6385942593251135
Energy: 1.641569333991147
Energy: 1.6385942593251135
Energy: 1.2400369379790808
Energy: 1.6385942593261695
Energy: 1.3225259135294485
Energy: 1.374096101202638
Energy: 1.3719898424182693
Energy: 1.3740961012005253
Energy: 1.3225259135283924
Energy: 1.374096101202638
Energy: 1.243390596581469
Energy: 1.7319695484487163
Energy: 1.3858049673575636
Energy: 1.7319695484487163
Energy: 1.243390596581469
Energy: 1.7319695484497728
Energy: 1.3965776182647451
Energy: 1.650003734361045
Energy: 1.3612464906957245
Energy: 1.6500037343589322
Energy: 1.3965776182658014
Energy: 1.650003734357876
Energy: 1.2474995670796807
Energy: 1.3953964778952475
Energy: 1.2643639536510005
Energy: 1.395396477888957
Energy: 1.2474995670786244
Energy: 1.3953964778984165
Energy: 1.7178515183985115
Energy: 1.9699874285345598
Energy: 1.2665709304042403
Energy: 1.9699874285356163
Energy: 1.7178515183995677
Energy: 1.9699874285356163
Energy: 1.3925862959316904
Energy: 1.9614912669392757
Energy: 1.277943415306753
Energy: 1.9614912669382194
Energy: 1.3925862959316904
Energy: 1.961491266937163
Energy: 1.3910032217769994
Energy: 1.3962733160855532
Energy: 1.2754698403854319
Energy: 1.3962733160823837
Energy: 1.391003221778008
Energy: 1.3962733160887222
Energy: 1.2478405135515633
Energy: 1.642571747015877
Energy: 1.3911425864696532
Energy: 1.642571747015877
Energy: 1.2478405135526198
Energy: 1.6425717470148204
Energy: 1.3918858808101662
Energy: 1.9824420770902549
Energy: 1.3883685703366122
Energy: 1.9824420770913114
Energy: 1.3918858808112224
Energy: 1.9824420770913114
Energy: 1.2512056089370451
Energy: 1.9714218855681873
Energy: 1.3908555833210614
Energy: 1.9714218855713563
Energy: 1.2512056089359886
Energy: 1.9714218855692434
Energy: 1.2544621418458606
Energy: 1.642094880078258
Energy: 1.3885365901370321
Energy: 1.6420948800761452
Energy: 1.2544621418458606
Energy: 1.6420948800761452
Energy: 1.256709153627551
Energy: 1.3867841394141431
Energy: 1.2782778964839263
Energy: 1.38678413942682
Energy: 1.256709153627551
Energy: 1.3867841394141431
Energy: 1.4112054838901575
Energy: 1.9670784356681807
Energy: 1.2762521098164812
Energy: 1.9670784356660678
Energy: 1.4112054838912138
Energy: 1.9670784356660678
Energy: 1.408630724961442
Energy: 1.9922845994575753
Energy: 1.272934656252206
Energy: 1.9922845994586318
Energy: 1.4086307249603855
Energy: 1.9922845994586318
Energy: 1.2544050431048492
Energy: 1.394333914176295
Energy: 1.2725100127994757
Energy: 1.3943339141741822
Energy: 1.2544050431048492
Energy: 1.3943339141773514
Energy: 1.2565093638718683
Energy: 1.642367108914835
Energy: 1.3837941782718366
Energy: 1.6423671089127223
Energy: 1.256509363872925
Energy: 1.6423671089137784

minimum gb energy = 1.2396299416814032 eV
minimum distance =  2.23719635216496 Angstroms
sigma value = 43


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

Energy: 1.5435240278129476
Energy: 2.0394111462292797
Energy: 1.9288195921878168
Energy: 2.0394111462292797
Energy: 1.5435240278129476
Energy: 2.0394111462300493
Energy: 1.3743610161800217
Energy: 1.3114961684244135
Energy: 1.2848729189704386
Energy: 1.3114961684251831
Energy: 1.3743610161807913
Energy: 1.3114961684244135
Energy: 1.280702541995998
Energy: 1.3987450392535934
Energy: 1.691677486793713
Energy: 1.3987450392535934
Energy: 1.280702541995998
Energy: 1.3987450392535934
Energy: 1.8477371521387866
Energy: 1.9630415612137828
Energy: 1.3920844432162744
Energy: 1.9630415612137828
Energy: 1.8477371521387866
Energy: 1.9630415612137828
Energy: 1.2843806867930008
Energy: 1.3779922721662354
Energy: 1.4942801303623077
Energy: 1.3779922721654658
Energy: 1.2843806867922312
Energy: 1.3779922721654658
Energy: 1.6893210313280933
Energy: 1.3701663404594273
Energy: 1.2841176839214725
Energy: 1.370166340460197
Energy: 1.6893210313280933
Energy: 1.3701663404594273
Energy: 1.2855633304520795
Energy: 1.3861677331079327
Energy: 1.7792318573520678
Energy: 1.3861677331079327
Energy: 1.285563330452849
Energy: 1.3861677331071631
Energy: 1.4413716086757051
Energy: 1.3755432016133136
Energy: 1.2858539236413211
Energy: 1.3755432016110047
Energy: 1.441371608678784
Energy: 1.3755432016133136
Energy: 1.3940937483578317
Energy: 1.9098572860505763
Energy: 1.6804423696881146
Energy: 1.9098572860513459
Energy: 1.3940937483578317
Energy: 1.9098572860505763
Energy: 1.5814470471292057
Energy: 1.3986220704659564
Energy: 1.2841652387747848
Energy: 1.3986220704667263
Energy: 1.5814470471284359
Energy: 1.3986220704651868
Energy: 1.2807127414467279
Energy: 1.3383316107107577
Energy: 1.672652063287732
Energy: 1.3383316107107577
Energy: 1.2807127414467279
Energy: 1.3383316107115275
Energy: 1.32307081848258
Energy: 1.9394262996092955
Energy: 1.5416824893102359
Energy: 1.939426299610065
Energy: 1.32307081848258
Energy: 1.9394262996092955
Energy: 1.285134166722227
Energy: 1.318111596280129
Energy: 1.43831164719811
Energy: 1.318111596280129
Energy: 1.285134166722227
Energy: 1.318111596280129
Energy: 1.7049085379509115
Energy: 1.6139575362583616
Energy: 1.284060426659978
Energy: 1.6139575362576268
Energy: 1.704908537949372
Energy: 1.6139575362576268
Energy: 1.3917240093460297
Energy: 1.9397533670868143
Energy: 1.3174976446005529
Energy: 1.9397533670860445
Energy: 1.3917240093460297
Energy: 1.9397533670860445
Energy: 1.3977670100840307
Energy: 1.7060741962709671
Energy: 1.2831256107012705
Energy: 1.7060741962701973
Energy: 1.3977670100824915
Energy: 1.7060741962709671
Energy: 1.2884339732048955
Energy: 1.6942409225619621
Energy: 1.4366237040941638
Energy: 1.6942409225619621
Energy: 1.2884339732056653
Energy: 1.6942409225611925
Energy: 1.339238349960685
Energy: 1.6879160602791132
Energy: 1.2883567195899135
Energy: 1.6879160602791132
Energy: 1.3392383499599154
Energy: 1.6879160602783436
Energy: 1.2947033045177827
Energy: 1.5620004530639222
Energy: 1.412003812437033
Energy: 1.5620004530631524
Energy: 1.2947033045170129
Energy: 1.5620004530631524
Energy: 1.2831797088595045
Energy: 1.6751485591507622
Energy: 1.4142595936208693
Energy: 1.6751485591507622
Energy: 1.2831797088595045
Energy: 1.6751485591507622
Energy: 1.2818802463575525
Energy: 1.423119710697605
Energy: 1.3177856641788717
Energy: 1.423119710799906
Energy: 1.281880246358322
Energy: 1.4231197106929867
Energy: 1.9761171970280962
Energy: 1.624422675105587
Energy: 1.2844317925794497
Energy: 1.624422675105587
Energy: 1.9761171970280962
Energy: 1.6244226751048174
Energy: 1.6640393806955294
Energy: 1.6788906403382255
Energy: 1.3165778288620047
Energy: 1.6788906403382255
Energy: 1.6640393806962992
Energy: 1.6788906403366863
Energy: 1.2828071689737583
Energy: 1.4231722937654787
Energy: 1.3353269390471039
Energy: 1.4231722938239415
Energy: 1.2828071689745282
Energy: 1.4231722939093436
Energy: 1.2819191132322794
Energy: 1.669480406727016
Energy: 1.4114361413679875
Energy: 1.669480406727016
Energy: 1.2819191132322794
Energy: 1.6694804067262463
Energy: 1.3294596513625978
Energy: 1.9365107491375184
Energy: 1.4118664341684197
Energy: 1.9365107491375184
Energy: 1.3294596513625978
Energy: 1.9365107491375184
Energy: 1.2939856117370359
Energy: 2.0139229492824406
Energy: 1.3990051288582237
Energy: 2.0139229492816706
Energy: 1.2939856117370359
Energy: 2.0139229492824406
Energy: 1.398942141317688
Energy: 1.918348654959165
Energy: 1.3988200023662898
Energy: 1.918348654959165
Energy: 1.398942141318458
Energy: 1.9183486549583955
Energy: 1.3989617300725294
Energy: 2.013913249123376
Energy: 1.315528228848912
Energy: 2.013913249123376
Energy: 1.3989617300709902
Energy: 2.013913249123376
Energy: 1.4121813254114641
Energy: 1.9365366953339425
Energy: 1.3294613884078068
Energy: 1.9365366953331729
Energy: 1.4121813254122337
Energy: 1.9365366953339425
Energy: 1.4119040646468057
Energy: 1.6694444805711948
Energy: 1.2819409357227365
Energy: 1.6694444805704254
Energy: 1.4119040646475756
Energy: 1.6694444805696556
Energy: 1.3355702550375987
Energy: 1.423381213073776
Energy: 1.2827997836868024
Energy: 1.4233812129899128
Energy: 1.335570255036829
Energy: 1.4233812131576389
Energy: 1.3168022360554281
Energy: 1.6796207283864195
Energy: 1.9452475310331667
Energy: 1.6796207283864195
Energy: 1.3168022360554281
Energy: 1.6796207283864195
Energy: 1.2846069753498808
Energy: 1.6242882487970602
Energy: 1.9761682705035544
Energy: 1.6242882487978298
Energy: 1.2846069753506506
Energy: 1.6242882487978298
Energy: 1.31786401227777
Energy: 1.4230410785307002
Energy: 1.281889039630783
Energy: 1.4230410785330094
Energy: 1.31786401227777
Energy: 1.4230410785314698
Energy: 1.4644184589745004
Energy: 1.6749839497232035
Energy: 1.2831852049562769
Energy: 1.6749839497232035
Energy: 1.4644184589721911
Energy: 1.674983949722434

minimum gb energy = 1.280702541995998 eV
minimum distance =  2.16043860553348 Angstroms
sigma value = 81


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

Energy: 1.320422488682465
Energy: 1.3210329174703297
Energy: 2.4356443537993417
Energy: 1.3210329174705866
Energy: 1.320422488682465
Energy: 1.3210329174703297
Energy: 1.6445132879986577
Energy: 1.3160922900496774
Energy: 1.3207263555147317
Energy: 1.3160922900499665
Energy: 1.6445132879984004
Energy: 1.3160922900493879
Energy: 1.3211044080369707
Energy: 1.3158659426173092
Energy: 1.6451784925050197
Energy: 1.3158659426170198
Energy: 1.3211044080361354
Energy: 1.3158659426178876
Energy: 2.4356443537993417
Energy: 1.3210329174705866
Energy: 1.3204224886822076
Energy: 1.321032917470876
Energy: 2.435644353799599
Energy: 1.3210329174705866
Energy: 1.3207263555144424
Energy: 1.3160922900493879
Energy: 1.6445132879989466
Energy: 1.3160922900499665
Energy: 1.320726355513864
Energy: 1.3160922900499665
Energy: 1.6451784925050197
Energy: 1.3158659426175983
Energy: 1.3211044080361354
Energy: 1.3158659426173092
Energy: 1.6451784925050197
Energy: 1.3158659426178876
Energy: 1.3204224886822076
Energy: 1.3210329174700404
Energy: 2.4356443537993417
Energy: 1.321032917470876
Energy: 1.3204224886822076
Energy: 1.3210329174711652
Energy: 1.6445132879995252
Energy: 1.3160922900493879
Energy: 1.3207263555147317
Energy: 1.3160922900502556
Energy: 1.6445132879992361
Energy: 1.3160922900496774
Energy: 1.321104408035846
Energy: 1.3158659426178876
Energy: 1.6451784925050197
Energy: 1.3158659426173092
Energy: 1.3211044080361354
Energy: 1.3158659426173092
Energy: 2.4356443537993417
Energy: 1.3210329174711652
Energy: 1.320422488682465
Energy: 1.3210329174703297
Energy: 2.4356443537990526
Energy: 1.3210329174705866

minimum gb energy = 1.3158659426170198 eV
minimum distance =  2.25303167200609 Angstroms
sigma value = 3


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

Energy: 1.7760928159850164
Energy: 2.1427249849717653
Energy: 2.1477863888489606
Energy: 2.1427249849726118
Energy: 1.7760928159858627
Energy: 2.1427249849726118
Energy: 1.7038274681581518
Energy: 1.318507297969593
Energy: 1.2459614936391648
Energy: 1.318507297969593
Energy: 1.7038274681581518
Energy: 1.3185072979687469
Energy: 1.2821741082817153
Energy: 1.2935157877609729
Energy: 1.5710547809271003
Energy: 1.2935157877609729
Energy: 1.2821741082817153
Energy: 1.2935157877609729
Energy: 2.0610727951279544
Energy: 1.62148576595435
Energy: 1.3005574308216323
Energy: 1.6214857660592155
Energy: 2.0610727951279544
Energy: 1.6214857659171122
Energy: 1.2964191430619718
Energy: 1.292383903899454
Energy: 1.9636621814987796
Energy: 1.292383903899454
Energy: 1.2964191430619718
Energy: 1.2923839039003002
Energy: 1.66618149211924
Energy: 1.3949395768162436
Energy: 1.244899072600226
Energy: 1.3949395768162436
Energy: 1.66618149211924
Energy: 1.394939576817936
Energy: 1.2965948170073902
Energy: 1.2862311300382927
Energy: 1.5884500638984138
Energy: 1.2862311300382927
Energy: 1.296594817006544
Energy: 1.2862311300374465
Energy: 1.302978020780287
Energy: 1.974640767655469
Energy: 1.2997458793167616
Energy: 1.974640767655469
Energy: 1.302978020780287
Energy: 1.9746407676563154
Energy: 1.2793021618362304
Energy: 1.630741246230526
Energy: 1.8876519814793882
Energy: 1.630741246230526
Energy: 1.279302161835384
Energy: 1.630741246230526
Energy: 1.2955747559239963
Energy: 1.3213889424017573
Energy: 1.2457303007287268
Energy: 1.3213889424017573
Energy: 1.2955747559239963
Energy: 1.321388942400911
Energy: 1.7763648405181591
Energy: 1.7151822474582674
Energy: 1.335684421274639
Energy: 1.7151822474582674
Energy: 1.7763648405181591
Energy: 1.715182247457421
Energy: 1.7200848240056161
Energy: 1.6247411118036337
Energy: 1.2417291375129695
Energy: 1.6247411118044803
Energy: 1.72008482400477
Energy: 1.6247411118044803
Energy: 1.289717662324692
Energy: 1.3809458210895553
Energy: 1.2401620519334542
Energy: 1.3809458210937868
Energy: 1.2897176623238458
Energy: 1.3809458210937868
Energy: 1.2822943950851635
Energy: 1.6291446299352765
Energy: 1.3333038331357565
Energy: 1.6291446299352765
Energy: 1.2822943950868562
Energy: 1.6291446299352765
Energy: 1.2915592278816965
Energy: 1.631892587188035
Energy: 1.2943716142796706
Energy: 1.631892587188035
Energy: 1.29155922788085
Energy: 1.631892587188035
Energy: 1.2916698802798248
Energy: 1.7429479145941371
Energy: 1.243626460635306
Energy: 1.7429479145949833
Energy: 1.2916698802798248
Energy: 1.7429479145941371
Energy: 1.2913316131069366
Energy: 1.7432665314571116
Energy: 1.2436567970367047
Energy: 1.7432665314588043
Energy: 1.2913316131086292
Energy: 1.7432665314562654
Energy: 1.2917776082147394
Energy: 1.4058602596143968
Energy: 1.2944841474946172
Energy: 1.4058602596135505
Energy: 1.2917776082138932
Energy: 1.4058602596152432
Energy: 1.277637288576938
Energy: 1.6327111795287312
Energy: 1.2944994329212973
Energy: 1.6327111795295777
Energy: 1.2776372885777845
Energy: 1.6327111795211144
Energy: 1.2896033150694213
Energy: 1.6132304457401976
Energy: 1.2401845512567395
Energy: 1.6132304457401976
Energy: 1.289603315068575
Energy: 1.6132304457393511
Energy: 1.7276126943180041
Energy: 1.643755347181501
Energy: 1.2393241538562305
Energy: 1.643755347181501
Energy: 1.7276126943213894
Energy: 1.643755347181501
Energy: 1.776755502947843
Energy: 1.714853036161789
Energy: 1.325214774616217
Energy: 1.714853036161789
Energy: 1.776755502947843
Energy: 1.7148530361626355
Energy: 1.295257471548871
Energy: 1.330410667439482
Energy: 1.2417616761360974
Energy: 1.3304106674386356
Energy: 1.2952574715497172
Energy: 1.3304106674377891
Energy: 1.2771898862157254
Energy: 1.6441693730239517
Energy: 1.7286052794069577
Energy: 1.644169373024798
Energy: 1.2771898862157254
Energy: 1.6441693730239517
Energy: 1.297165411249765
Energy: 1.4010217907277989
Energy: 1.3695930606288103
Energy: 1.4010217907277989
Energy: 1.297165411249765
Energy: 1.4010217907277989
Energy: 1.2970046666656119
Energy: 1.7339760670861677
Energy: 1.3843926977837624
Energy: 1.733976067087014
Energy: 1.2970046666656119
Energy: 1.7339760670853215
Energy: 1.27911896041614
Energy: 1.790930414080798
Energy: 1.2439377442824193
Energy: 1.7909304140824909
Energy: 1.27911896041614
Energy: 1.790930414080798
Energy: 1.2923174653087741
Energy: 1.7257403864761631
Energy: 1.9583082959870033
Energy: 1.7257403864753167
Energy: 1.2923174653087741
Energy: 1.7257403864753167
Energy: 1.4123932701348516
Energy: 1.6276072130421533
Energy: 1.2997641624495098
Energy: 1.6276072130421533
Energy: 1.4123932701340052
Energy: 1.6276072130514625
Energy: 1.2780890010597086
Energy: 1.2914915054281988
Energy: 1.570837673795348
Energy: 1.291491505429045
Energy: 1.2780890010588624
Energy: 1.291491505429045
Energy: 1.7040861916628298
Energy: 1.3181689567764368
Energy: 1.2457625024333188
Energy: 1.3181689567764368
Energy: 1.7040861916636765
Energy: 1.3181689567764368
Energy: 1.7761007427721316
Energy: 1.6444564176495524
Energy: 1.3363120552093015
Energy: 1.6444564176977536
Energy: 1.7761007427721316
Energy: 1.644456417866093
Energy: 1.7042362890431748
Energy: 1.323445819728289
Energy: 1.2455752440217316
Energy: 1.3234458197274428
Energy: 1.7042362890448672
Energy: 1.3234458197265966

minimum gb energy = 1.2393241538562305 eV
minimum distance =  2.24788817391465 Angstroms
sigma value = 67


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

Energy: 1.2620305020972966
Energy: 2.1372587254004647
Energy: 2.1745801310608726
Energy: 2.1372587254004647
Energy: 1.2620305020972966
Energy: 2.1372587254004647
Energy: 1.9644542171095405
Energy: 1.2427596134999088
Energy: 1.2348152937712664
Energy: 1.2427596135011145
Energy: 1.9644542171083348
Energy: 1.2427596135011145
Energy: 1.2466971846399646
Energy: 1.339594628329024
Energy: 1.6037686647511347
Energy: 1.3395946283266122
Energy: 1.2466971846411707
Energy: 1.339594628327818
Energy: 2.0134919419374473
Energy: 1.6281606046644501
Energy: 1.21907136174858
Energy: 1.6281606046632444
Energy: 2.013491941936241
Energy: 1.6281606046632444
Energy: 1.2204192732196018
Energy: 1.9243959323189608
Energy: 1.9837782368336472
Energy: 1.9243959323274018
Energy: 1.2204192732183958
Energy: 1.924395932323784
Energy: 1.2182359418774633
Energy: 1.7306391965285046
Energy: 1.218512612766174
Energy: 1.7306391965272987
Energy: 1.2182359418774633
Energy: 1.7306391965285046
Energy: 1.2387059869268284
Energy: 1.24395657410762
Energy: 1.2573409174249237
Energy: 1.2439565741100318
Energy: 1.2387059869256227
Energy: 1.2439565741100318
Energy: 1.2436401092493026
Energy: 1.6262774573175758
Energy: 1.8677889639725505
Energy: 1.6262774573187815
Energy: 1.2436401092493026
Energy: 1.6262774573199876
Energy: 1.2355090335668537
Energy: 1.5610694423076052
Energy: 1.851210765460704
Energy: 1.5610694423088112
Energy: 1.2355090335680048
Energy: 1.5610694423076052
Energy: 1.2355587869678009
Energy: 1.5391849879567345
Energy: 1.2406989143344198
Energy: 1.5391849879579407
Energy: 1.2355587869690068
Energy: 1.5391849879567345
Energy: 1.218201158556826
Energy: 1.6079104266549151
Energy: 1.2341582785247482
Energy: 1.607910426656121
Energy: 1.2182011585580317
Energy: 1.6079104266549151
Energy: 1.2372463447359283
Energy: 1.2847085026988898
Energy: 1.2228528628454853
Energy: 1.2847085026988898
Energy: 1.2372463447359283
Energy: 1.284708502697684
Energy: 1.2341990411940968
Energy: 1.6067151593499072
Energy: 1.2182553713362425
Energy: 1.6067151593499072
Energy: 1.2341990411953028
Energy: 1.6067151593499072
Energy: 1.2345010606317661
Energy: 1.5396859797362352
Energy: 1.2354685141831554
Energy: 1.5396859797362352
Energy: 1.2345010606317661
Energy: 1.539685979735029
Energy: 1.8511436623514705
Energy: 1.5606665406775286
Energy: 1.2355444205900217
Energy: 1.560666540676323
Energy: 1.8511436623514705
Energy: 1.5606665406727052
Energy: 1.8679761673424051
Energy: 1.6154742286267452
Energy: 1.243603273625465
Energy: 1.6154742286267452
Energy: 1.867976167343611
Energy: 1.6154742286267452
Energy: 1.257409521386083
Energy: 1.2437011840636625
Energy: 1.2386579488480731
Energy: 1.2437011840636625
Energy: 1.257409521386083
Energy: 1.2437011840636625
Energy: 1.2184804008926184
Energy: 1.7305806079564905
Energy: 1.2203347715487198
Energy: 1.7305806079564905
Energy: 1.2184804008914125
Energy: 1.7305806079552848
Energy: 1.983891547137637
Energy: 1.9243654765932376
Energy: 1.2205608005078372
Energy: 1.924365476590826
Energy: 1.983891547137637
Energy: 1.9243654765920317
Energy: 1.2191457958320657
Energy: 1.6942430053654005
Energy: 2.009860026310677
Energy: 1.6942430053629884
Energy: 1.2191457958320657
Energy: 1.6942430053666067
Energy: 1.6039505539206573
Energy: 1.3395946283302298
Energy: 1.2467092765034504
Energy: 1.339594628329024
Energy: 1.6039505539206573
Energy: 1.3395946283314357
Energy: 1.2349163586413006
Energy: 1.242650160374956
Energy: 1.965036251230228
Energy: 1.242650160374956
Energy: 1.2349163586425067
Energy: 1.242650160374956
Energy: 1.7291026303615726
Energy: 2.1372587254004647
Energy: 1.2620305020972966
Energy: 2.1372587254004647
Energy: 1.7291026303615726
Energy: 2.1372587254004647

minimum gb energy = 1.218201158556826 eV
minimum distance =  2.24590978150863 Angstroms
sigma value = 33


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

Energy: 1.604579243663115
Energy: 1.3375164960130401
Energy: 2.031977774387111
Energy: 1.3375164960122754
Energy: 1.604579243663115
Energy: 1.3375164960138053
Energy: 1.9765567459418327
Energy: 1.5690607568488193
Energy: 1.1633327508542406
Energy: 1.5690607568488193
Energy: 1.9765567459418327
Energy: 1.5690607568488193
Energy: 1.1901920993061084
Energy: 1.2363081782678254
Energy: 1.8711569697598383
Energy: 1.2363081782678254
Energy: 1.1901920993061084
Energy: 1.2363081782678254
Energy: 1.2463473809063859
Energy: 1.5636523207674062
Energy: 1.2135429803172295
Energy: 1.563652320696296
Energy: 1.2463473809063859
Energy: 1.5636523208859114
Energy: 1.532599625481359
Energy: 2.061168519313417
Energy: 1.5706551172306031
Energy: 2.061168519312652
Energy: 1.5325996254805938
Energy: 2.061168519312652
Energy: 1.5315146591180762
Energy: 1.561399288871609
Energy: 1.1592423832536425
Energy: 1.561399288871609
Energy: 1.5315146591180762
Energy: 1.561399288871609
Energy: 1.16737488692999
Energy: 1.1986595040109984
Energy: 1.1981433930780092
Energy: 1.1986595040117634
Energy: 1.1673748869284601
Energy: 1.1986595040109984
Energy: 1.1863617771364336
Energy: 1.6936277374864284
Energy: 1.5295171960536642
Energy: 1.6936277374871935
Energy: 1.1863617771364336
Energy: 1.6936277374864284
Energy: 1.5223012569142682
Energy: 1.422918068733991
Energy: 1.5082414861980873
Energy: 1.422918068733991
Energy: 1.5223012569142682
Energy: 1.4229180687332261
Energy: 1.2060338864083835
Energy: 1.4922508917166855
Energy: 1.1989460162697203
Energy: 1.4922508917166855
Energy: 1.2060338864083835
Energy: 1.4922508917174504
Energy: 1.168696384238022
Energy: 1.7295307662827704
Energy: 1.1816587357742345
Energy: 1.7295307662820054
Energy: 1.168696384237257
Energy: 1.7295307662820054
Energy: 1.1574662789480583
Energy: 1.250824221552959
Energy: 1.928545140192841
Energy: 1.250824221552959
Energy: 1.1574662789480583
Energy: 1.2508242215521939
Energy: 1.599373278078816
Energy: 1.6662634770660067
Energy: 1.5731962555222794
Energy: 1.6662634770660067
Energy: 1.5993732780795806
Energy: 1.6662634770660067
Energy: 1.1631689366878004
Energy: 1.6962226392116868
Energy: 1.163833345113845
Energy: 1.6962226392155118
Energy: 1.1631689366878004
Energy: 1.6962226392132167
Energy: 1.6274566974921196
Energy: 1.2623536213429303
Energy: 1.198707977610332
Energy: 1.2623536213436952
Energy: 1.6274566974959448
Energy: 1.2623536213421653
Energy: 1.213339696346587
Energy: 1.5421851028340086
Energy: 1.9584590223619924
Energy: 1.5421851028340086
Energy: 1.213339696346587
Energy: 1.5421851028347735
Energy: 1.9788433394158038
Energy: 1.7364307116830868
Energy: 1.5024136537999742
Energy: 1.7364307115355115
Energy: 1.9788433394158038
Energy: 1.7364307116066213
Energy: 1.1692328078944092
Energy: 1.1934307445091077
Energy: 1.7977346412918698
Energy: 1.1934307445083423
Energy: 1.1692328078951741
Energy: 1.1934307445091077
Energy: 1.3477465013700607
Energy: 1.1966866552370392
Energy: 1.1747647168736493
Energy: 1.1966866552378046
Energy: 1.3477465013700607
Energy: 1.1966866552385695
Energy: 1.5439508153551091
Energy: 1.6614283682574882
Energy: 1.1873321981253417
Energy: 1.661428368259783
Energy: 1.5439508153551091
Energy: 1.6614283682590179
Energy: 1.955561350143466
Energy: 1.8386140318010147
Energy: 1.2075739602463595
Energy: 1.8386140318002497
Energy: 1.955561350144231
Energy: 1.8386140318010147
Energy: 1.1973282648093715
Energy: 1.5104265127410594
Energy: 1.5075571903221157
Energy: 1.5104265127402947
Energy: 1.1973282648093715
Energy: 1.5104265127379999
Energy: 1.1763454477876145
Energy: 1.696730625174949
Energy: 1.191150033699525
Energy: 1.696730625174949
Energy: 1.1763454477876145
Energy: 1.696730625174949
Energy: 1.5730436017637033
Energy: 1.700024867425514
Energy: 1.196527414756394
Energy: 1.7000248674270444
Energy: 1.5730436017629381
Energy: 1.7000248674270444
Energy: 1.9034277761718583
Energy: 1.6791284037572816
Energy: 1.1981441684098042
Energy: 1.6791284037580463
Energy: 1.9034277761710934
Energy: 1.6791284037572816
Energy: 1.1818481747773146
Energy: 1.687667045733265
Energy: 1.1693278919835854
Energy: 1.687667045733265
Energy: 1.1818481747773146
Energy: 1.6876670457340297
Energy: 1.2012202186881153
Energy: 1.511361775345485
Energy: 1.5208339741542176
Energy: 1.511361775345485
Energy: 1.2012202186881153
Energy: 1.511361775345485
Energy: 1.530173478563365
Energy: 1.410458039674267
Energy: 1.2060609497059787
Energy: 1.4104580396750321
Energy: 1.530173478563365
Energy: 1.410458039674267
Energy: 1.5328053052694641
Energy: 1.6929898074333372
Energy: 1.2380721783627673
Energy: 1.6929898074333372
Energy: 1.5328053052686992
Energy: 1.6929898074333372
Energy: 1.198615972640279
Energy: 1.1891534433207056
Energy: 1.1731565122991086
Energy: 1.1891534433191757
Energy: 1.1986159726395138
Energy: 1.1891534433191757
Energy: 1.169420933597451
Energy: 1.4274862510423432
Energy: 1.9369793171135872
Energy: 1.427486251043873
Energy: 1.169420933598216
Energy: 1.4274862510446382
Energy: 1.5501222268968964
Energy: 2.015302133233335
Energy: 1.5244398830257044
Energy: 2.0153021332302754
Energy: 1.5501222268946016
Energy: 2.01530213323716
Energy: 1.2264549040514314
Energy: 1.5621703591291445
Energy: 1.8204946300770406
Energy: 1.5621703591314393
Energy: 1.2264549040514314
Energy: 1.5621703591299094
Energy: 1.8901277093631537
Energy: 1.2552373005579371
Energy: 1.1993111211671355
Energy: 1.255237300558702
Energy: 1.890127709363919
Energy: 1.255237300558702
Energy: 1.176842997003686
Energy: 1.5687814891948255
Energy: 1.758147583178114
Energy: 1.5687814891940604
Energy: 1.176842997003686
Energy: 1.5687814891948255
Energy: 1.5925496108361539
Energy: 1.6654231690679444
Energy: 1.5734303171390465
Energy: 1.6654231705467917
Energy: 1.592549610835389
Energy: 1.6654231695458601
Energy: 1.168680969187928
Energy: 1.7767046526050196
Energy: 2.013113377038517
Energy: 1.7767046526057846
Energy: 1.168680969187928
Energy: 1.7767046526050196

minimum gb energy = 1.1574662789480583 eV
minimum distance =  2.18750624909324 Angstroms
sigma value = 41


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

Energy: 1.0128254938576575
Energy: 0.9703349597050006
Energy: 1.9639251106491429
Energy: 0.9703349597050006
Energy: 1.0128254938576575
Energy: 0.970334959702912
Energy: 1.8843820682440313
Energy: 0.9492601057597764
Energy: 0.9524903110825957
Energy: 0.9492601057597764
Energy: 1.8843820687513426
Energy: 0.9492601057597764
Energy: 1.0307907707173019
Energy: 1.1576548879902404
Energy: 0.9512291498560027
Energy: 1.1576548879923292
Energy: 1.030790770715213
Energy: 1.1576548879902404
Energy: 1.8292289105249224
Energy: 0.9479518230493639
Energy: 0.9525347960300787
Energy: 0.9479518230493639
Energy: 1.8292289105249224
Energy: 0.9479518230493639
Energy: 1.0135380283955973
Energy: 1.5439779393197246
Energy: 0.9510215200859565
Energy: 1.5439779393197246
Energy: 1.0135380283955973
Energy: 1.5439779393197246
Energy: 1.002845372683477
Energy: 1.0312744029028458
Energy: 0.9509801966771645
Energy: 1.0312744029049343
Energy: 1.002845372683477
Energy: 1.0312744029049343
Energy: 1.7988614541544763
Energy: 0.9724101942432719
Energy: 0.9509193214036022
Energy: 0.9724101942432719
Energy: 1.7988614541544763
Energy: 0.9724101942432719
Energy: 1.011841438205647
Energy: 0.9726367956922076
Energy: 0.9506517162222036
Energy: 0.9726367956922076
Energy: 1.0118414382077359
Energy: 0.9726367956922076
Energy: 1.7822756464998566
Energy: 1.0318137452512666
Energy: 0.9509850588011463
Energy: 1.0318137452512666
Energy: 1.7822756464998566
Energy: 1.0318137452512666
Energy: 1.013305161073649
Energy: 1.5482184738696054
Energy: 0.9507393815676493
Energy: 1.5482184738696054
Energy: 1.0133051610715602
Energy: 1.5482184738696054
Energy: 1.8045613368524465
Energy: 0.9728415454650063
Energy: 0.9525714913392022
Energy: 0.9728415454629178
Energy: 1.8045613368503577
Energy: 0.9728415454650063
Energy: 1.0280273661877117
Energy: 1.1562320755823834
Energy: 1.8149432346086307
Energy: 1.1562320755823834
Energy: 1.0280273661877117
Energy: 1.1562320755823834
Energy: 1.8043954794578028
Energy: 0.9729320766777957
Energy: 0.952575679950774
Energy: 0.9729320766777957
Energy: 1.8043954794578028
Energy: 0.9729320766798844
Energy: 1.0154182010572141
Energy: 1.5482594010129673
Energy: 0.951528578460159
Energy: 1.5482594010129673
Energy: 1.0154182010572141
Energy: 1.5482594010129673

minimum gb energy = 0.9479518230493639 eV
minimum distance =  2.2451391786171 Angstroms
sigma value = 11


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

Energy: 1.7234867006414103
Energy: 1.3438345205579154
Energy: 1.9939791379526326
Energy: 1.343834520558833
Energy: 1.7234867006414103
Energy: 1.3438345205579154
Energy: 1.7514264833413644
Energy: 1.7985040085392605
Energy: 1.2778223623647567
Energy: 1.7985040085392605
Energy: 1.7514264833413644
Energy: 1.7985040085392605
Energy: 1.280309508262129
Energy: 1.5919286010636688
Energy: 1.3347472024149392
Energy: 1.5919286010636688
Energy: 1.280309508262129
Energy: 1.5919286010627514
Energy: 1.3001780617759826
Energy: 1.5375433720830514
Energy: 1.2803701652385255
Energy: 1.5375433720830514
Energy: 1.3001780617759826
Energy: 1.5375433720830514
Energy: 1.5855751932993918
Energy: 1.5752882677368127
Energy: 1.2504039692339954
Energy: 1.5752882677368127
Energy: 1.5855751933003095
Energy: 1.5752882677368127
Energy: 1.3095652074578457
Energy: 1.593478901769622
Energy: 1.5245875335165087
Energy: 1.5934789017705397
Energy: 1.3095652074578457
Energy: 1.593478901769622
Energy: 1.3588860431403742
Energy: 1.7685236308322674
Energy: 1.3098383903842992
Energy: 1.768523630828597
Energy: 1.3588860431403742
Energy: 1.768523630836855
Energy: 1.2964651642481917
Energy: 1.3790659198363462
Energy: 1.411162078405641
Energy: 1.3790659198354287
Energy: 1.2964651642481917
Energy: 1.3790659198363462
Energy: 1.6852552464314674
Energy: 1.4712891118386702
Energy: 1.2916399843046806
Energy: 1.4712891118377527
Energy: 1.6852552464314674
Energy: 1.4712891118386702
Energy: 1.286721362287324
Energy: 1.7814271662914383
Energy: 1.4758917445288056
Energy: 1.7814271662914383
Energy: 1.2867213622882414
Energy: 1.7814271662914383
Energy: 1.5276818892907986
Energy: 1.8046320698410783
Energy: 1.7148082919063379
Energy: 1.8046320698419958
Energy: 1.5276818892907986
Energy: 1.8046320698410783
Energy: 1.267230805901593
Energy: 1.5867241350326495
Energy: 1.7793944552358605
Energy: 1.5867241350326495
Energy: 1.2672308059006758
Energy: 1.5867241350317318
Energy: 1.276818087206683
Energy: 1.8055633735521994
Energy: 1.5744084160305414
Energy: 1.8055633735531171
Energy: 1.276818087206683
Energy: 1.8055633735521994
Energy: 1.2682207211996184
Energy: 1.4707627133228163
Energy: 1.2431306641874262
Energy: 1.4707627133228163
Energy: 1.2682207211996184
Energy: 1.4707627133228163
Energy: 1.3012533892492748
Energy: 1.6378769494227179
Energy: 1.5658979602890115
Energy: 1.6378769494236352
Energy: 1.3012533892501923
Energy: 1.6378769494227179
Energy: 1.8542503019248724
Energy: 1.825529180562697
Energy: 1.314805900547706
Energy: 1.8255291805617795
Energy: 1.8542503019248724
Energy: 1.825529180562697
Energy: 1.3226279981749485
Energy: 1.771327109555863
Energy: 1.5244885687417198
Energy: 1.7713271095567806
Energy: 1.3226279981749485
Energy: 1.7713271095567806
Energy: 1.5251449022663055
Energy: 1.6391776177640764
Energy: 1.2871973920173496
Energy: 1.639177617764994
Energy: 1.5251449022663055
Energy: 1.6391776177640764
Energy: 1.2734476123007015
Energy: 1.6699809904139578
Energy: 1.2678929709990139
Energy: 1.6699809904130403
Energy: 1.2734476123007015
Energy: 1.6699809904139578
Energy: 1.3211729218827208
Energy: 1.7715507091199219
Energy: 1.2676311625275651
Energy: 1.7715507091190041
Energy: 1.3211729218827208
Energy: 1.7715507091199219
Energy: 1.7982150223504834
Energy: 1.5844021783211562
Energy: 1.2673949977045131
Energy: 1.5844021783220736
Energy: 1.7982150223504834
Energy: 1.5844021783220736
Energy: 1.7524496847224564
Energy: 1.356135148694044
Energy: 1.5356784722401249
Energy: 1.356135148694044
Energy: 1.7524496847215387
Energy: 1.3561351486931266
Energy: 1.4759273187680284
Energy: 1.7795939333476751
Energy: 1.285713803715726
Energy: 1.7795939333485928
Energy: 1.4759273187689461
Energy: 1.7795939333485928
Energy: 1.2905685711841453
Energy: 1.4619166902662373
Energy: 1.785526659963063
Energy: 1.4619166902653198
Energy: 1.2905685711841453
Energy: 1.4619166902662373
Energy: 1.4010278229024635
Energy: 1.3795017966918692
Energy: 1.2748858147170277
Energy: 1.3795017966927867
Energy: 1.4010278229024635
Energy: 1.3795017966927867
Energy: 1.3096328473447056
Energy: 1.8083749573027796
Energy: 1.3004523928519078
Energy: 1.8083749573027796
Energy: 1.3096328473447056
Energy: 1.8083749573027796
Energy: 1.5692746096484638
Energy: 1.5847760352667282
Energy: 1.5854912226297797
Energy: 1.5847760352667282
Energy: 1.5692746096484638
Energy: 1.5847760352667282
Energy: 1.2998569587846063
Energy: 1.7885753834264908
Energy: 1.3093048810365764
Energy: 1.788575383425573
Energy: 1.2998569587846063
Energy: 1.7885753834264908
Energy: 1.2802465778787122
Energy: 1.3782627557659954
Energy: 1.3009650636795724
Energy: 1.3782627557659954
Energy: 1.2802465778787122
Energy: 1.3782627557659954
Energy: 1.3295361467481324
Energy: 1.5885827546703644
Energy: 1.2933956882286204
Energy: 1.5885827546703644
Energy: 1.3295361467481324
Energy: 1.5885827546703644
Energy: 1.2766283779303382
Energy: 1.7992732465366075
Energy: 1.7509667655926526
Energy: 1.7992732465366075
Energy: 1.2766283779303382
Energy: 1.7992732465366075

minimum gb energy = 1.2431306641874262 eV
minimum distance =  2.19233785216962 Angstroms
sigma value = 57


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

Energy: 1.444516858766842
Energy: 1.862176864227037
Energy: 1.7969431920204777
Energy: 1.862176864227037
Energy: 1.4445168587652093
Energy: 1.862176864227037
Energy: 1.41094853353662
Energy: 1.6583069632970562
Energy: 1.3444726310954094
Energy: 1.6583069632970562
Energy: 1.41094853353662
Energy: 1.6583069632970562
Energy: 1.4324007840193222
Energy: 1.6017173877415747
Energy: 1.3447222554429903
Energy: 1.6017173877432076
Energy: 1.4324007840176893
Energy: 1.6017173877415747
Energy: 1.3731969876890124
Energy: 1.7604802557494015
Energy: 1.3732120739972171
Energy: 1.814422032084148
Energy: 1.3731969876890124
Energy: 1.7604802557494015
Energy: 1.3447011969307818
Energy: 1.6018125632117939
Energy: 1.4323756674479957
Energy: 1.6018125632134268
Energy: 1.3447011969307818
Energy: 1.6018125632134268
Energy: 1.3948764345836693
Energy: 1.6571799480179368
Energy: 1.4108091279346848
Energy: 1.6571799480179368
Energy: 1.3948764345836693
Energy: 1.6571799480179368
Energy: 1.7969431920221104
Energy: 1.862176864227037
Energy: 1.444516858766842
Energy: 1.862176864227037
Energy: 1.7969431920221104
Energy: 1.862176864227037
Energy: 1.3444726310954094
Energy: 1.788453059752547
Energy: 1.4109485335382528
Energy: 1.788453059752547
Energy: 1.3444726310954094
Energy: 1.788453059752547
Energy: 1.3447222554413574
Energy: 1.6017173877432076
Energy: 1.4324007840193222
Energy: 1.6017173877415747
Energy: 1.3447222554413574
Energy: 1.6017173877415747
Energy: 1.37321207399885
Energy: 1.7604802557494015
Energy: 1.3731969876890124
Energy: 1.6203914360364948
Energy: 1.3732120739972171
Energy: 1.814422032084148
Energy: 1.4323756674479957
Energy: 1.6018125632134268
Energy: 1.3447011969307818
Energy: 1.6018125632117939
Energy: 1.4323756674479957
Energy: 1.6018125632134268
Energy: 1.4108091279346848
Energy: 1.6571799480179368
Energy: 1.3948764345836693
Energy: 1.6571799480179368
Energy: 1.4108091279346848
Energy: 1.6571799480179368
Energy: 1.444516858766842
Energy: 1.862176864227037
Energy: 1.7654527494411143
Energy: 1.862176864227037
Energy: 1.444516858766842
Energy: 1.862176864227037
Energy: 1.41094853353662
Energy: 1.6205877783761045
Energy: 1.3444726310954094
Energy: 1.6205877783761045
Energy: 1.41094853353662
Energy: 1.6205877783761045
Energy: 1.4324007840193222
Energy: 1.6017173877415747
Energy: 1.3447222554413574
Energy: 1.6017173877432076
Energy: 1.4324007840193222
Energy: 1.6017173877432076
Energy: 1.3731969876890124
Energy: 1.6203914360364948
Energy: 1.37321207399885
Energy: 1.6203914360348621
Energy: 1.3731969876890124
Energy: 1.6203914360364948
Energy: 1.3447011969307818
Energy: 1.6018125632117939
Energy: 1.4323756674496286
Energy: 1.6018125632134268
Energy: 1.3447011969307818
Energy: 1.6018125632117939

minimum gb energy = 1.3444726310954094 eV
minimum distance =  2.24796694424529 Angstroms
sigma value = 9


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

Energy: 1.68826878247467
Energy: 1.7114363048456123
Energy: 1.8301449323288892
Energy: 1.7114363048456123
Energy: 1.68826878247467
Energy: 1.7114363048456123
Energy: 1.7777328105652836
Energy: 1.6582690013279935
Energy: 1.4731065191905517
Energy: 1.6582690013533237
Energy: 1.7777328105666166
Energy: 1.6582690013706247
Energy: 1.5960033370787388
Energy: 1.7255606490861644
Energy: 1.5604402483857032
Energy: 1.7255606490874975
Energy: 1.5960033370787388
Energy: 1.7255606490874975
Energy: 1.47671752799713
Energy: 1.5984057393365727
Energy: 1.5016529892091726
Energy: 1.5984057393379056
Energy: 1.4767175279957971
Energy: 1.5984057393365727
Energy: 1.5382444513412765
Energy: 1.766138986915712
Energy: 1.5959769476680026
Energy: 1.7661389869170452
Energy: 1.5382444513412765
Energy: 1.7661389869170452
Energy: 1.4768952118463208
Energy: 1.6476501378824673
Energy: 1.6051177480146572
Energy: 1.6476501378824673
Energy: 1.4768952118463208
Energy: 1.6476501378824673
Energy: 1.569304558336666
Energy: 1.6510453833599763
Energy: 1.4736699365133585
Energy: 1.6510453833586733
Energy: 1.569304558336666
Energy: 1.6510453833586733
Energy: 1.5628598028478677
Energy: 1.6661317670040559
Energy: 1.561876939208005
Energy: 1.6661317670040559
Energy: 1.5628598028478677
Energy: 1.666131767005389
Energy: 1.5489427548431605
Energy: 1.6485089223785792
Energy: 1.4836935135234135
Energy: 1.6485089223785792
Energy: 1.5489427548431605
Energy: 1.6485089223799123
Energy: 1.7485537439821925
Energy: 1.7021543672184842
Energy: 1.476025702147537
Energy: 1.7021543672184842
Energy: 1.7485537439821925
Energy: 1.7021543672184842
Energy: 1.5258694029381146
Energy: 1.6299632001079334
Energy: 1.4816396890162773
Energy: 1.6299632001079334
Energy: 1.5258694029381146
Energy: 1.6299632001066
Energy: 1.405765026003112
Energy: 1.6265602933103724
Energy: 1.5017774955314012
Energy: 1.6265602933090395
Energy: 1.405765026003112
Energy: 1.6265602933103724
Energy: 1.5264942077319907
Energy: 1.6153083403253636
Energy: 1.4961720351313537
Energy: 1.6153083403253636
Energy: 1.5264942077319907
Energy: 1.6153083403240307
Energy: 1.412801972816351
Energy: 1.6157595517056
Energy: 1.4382793395316664
Energy: 1.6157595517056
Energy: 1.412801972816351
Energy: 1.6157595517056
Energy: 1.7504940042448836
Energy: 1.6651848204093707
Energy: 1.4745673646553308
Energy: 1.6651848204093707
Energy: 1.7504940042448836
Energy: 1.6651848204093707
Energy: 1.5531130497695949
Energy: 1.6842768996492796
Energy: 1.4799958023317288
Energy: 1.6842768996492796
Energy: 1.5531130497682617
Energy: 1.6842768996492796
Energy: 1.5494093613741875
Energy: 1.6840946965445034
Energy: 1.5746169308377644
Energy: 1.6840946965458363
Energy: 1.5494093613755204
Energy: 1.6840946965471695
Energy: 1.5777675274153655
Energy: 1.6503349090500037
Energy: 1.474540484148929
Energy: 1.6503349090486705
Energy: 1.5777675274166987
Energy: 1.6503349090486705
Energy: 1.4027244076045458
Energy: 1.6562223420760604
Energy: 1.641894791140717
Energy: 1.6562223420760604
Energy: 1.4027244076045458
Energy: 1.6562223420760604
Energy: 1.5233677176677263
Energy: 1.764343733989572
Energy: 1.5894004004587328
Energy: 1.7643437339909054
Energy: 1.5233677176677263
Energy: 1.7643437339909054
Energy: 1.4043057650269124
Energy: 1.6263960132802884
Energy: 1.5050888970276224
Energy: 1.6263960132789552
Energy: 1.4043057650269124
Energy: 1.6263960132789552

minimum gb energy = 1.4027244076045458 eV
minimum distance =  2.23002687574508 Angstroms
sigma value = 27


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

Energy: 1.7213935197493375
Energy: 1.81523250935855
Energy: 1.9168011595258687
Energy: 1.81523250935855
Energy: 1.721393519750461
Energy: 1.81523250935855
Energy: 1.6683357569493351
Energy: 1.6439990036166012
Energy: 1.6618347087880707
Energy: 1.6439990036154775
Energy: 1.6683357569504589
Energy: 1.6439990036166012
Energy: 1.5498571927675873
Energy: 1.7227534570515943
Energy: 1.6792476720593632
Energy: 1.7227534570527179
Energy: 1.5498571927675873
Energy: 1.7227534570527179
Energy: 1.5377986587170955
Energy: 1.6392373450170687
Energy: 1.6337489381053933
Energy: 1.6392373450170687
Energy: 1.5377986587170955
Energy: 1.6392373450170687
Energy: 1.5880135218316933
Energy: 1.7660561431216635
Energy: 1.567417586930023
Energy: 1.7660561431216635
Energy: 1.5880135218316933
Energy: 1.7660561431216635
Energy: 1.5132561028196303
Energy: 1.673519833935258
Energy: 1.57159926694901
Energy: 1.6735198339363817
Energy: 1.513256102820754
Energy: 1.6735198339341342
Energy: 1.6098221070688363
Energy: 1.604034385875127
Energy: 1.5973574333943537
Energy: 1.604034385875127
Energy: 1.6098221070688363
Energy: 1.604034385875127
Energy: 1.7080428394682943
Energy: 1.604263774331881
Energy: 1.5270069622029576
Energy: 1.604263774331881
Energy: 1.7080428394682943
Energy: 1.6042637743330048
Energy: 1.6804250849927724
Energy: 1.664277150076658
Energy: 1.7803948107228518
Energy: 1.664277150076658
Energy: 1.6804250849927724
Energy: 1.6642771500755342
Energy: 1.7113158275378662
Energy: 1.7551249345948299
Energy: 1.6352113021084471
Energy: 1.7551249345937059
Energy: 1.7113158275378662
Energy: 1.7551249345937059
Energy: 1.6695046523539891
Energy: 1.6896865290391943
Energy: 1.6349561484534678
Energy: 1.689686529040318
Energy: 1.6695046523550876
Energy: 1.689686529040318
Energy: 1.680459179444558
Energy: 1.6906343767379062
Energy: 1.6593359844471058
Energy: 1.6906343767379062
Energy: 1.680459179444558
Energy: 1.6906343767379062
Energy: 1.6346787910518528
Energy: 1.7622596750425823
Energy: 1.5710896035668176
Energy: 1.7622596750425823
Energy: 1.6346787910518528
Energy: 1.7622596750425823
Energy: 1.5562667277671423
Energy: 1.6152579309711481
Energy: 1.526867338311883
Energy: 1.6152579309700243
Energy: 1.5562667277671423
Energy: 1.6152579309700243
Energy: 1.481700558827145
Energy: 1.6864541433266484
Energy: 1.555606604667534
Energy: 1.6864541433266484
Energy: 1.4817005588260215
Energy: 1.6864541433266484
Energy: 1.5929641874245344
Energy: 1.7660561431216635
Energy: 1.6609231464469125
Energy: 1.7660561431205395
Energy: 1.5929641874245344
Energy: 1.7660561431205395
Energy: 1.5185422565767799
Energy: 1.5889456550316565
Energy: 1.4907192150491837
Energy: 1.5889456550316565
Energy: 1.518542256575656
Energy: 1.5889456550316565
Energy: 1.624010600810754
Energy: 1.711427121457447
Energy: 1.6302931058606964
Energy: 1.7114271214585708
Energy: 1.6240106008096302
Energy: 1.7114271214585708
Energy: 1.7531333413131458
Energy: 1.7397976878968573
Energy: 1.6817774002174
Energy: 1.7397976878946098
Energy: 1.7531333413131458
Energy: 1.7397976878946098
Energy: 1.721393519750461
Energy: 1.81523250935855
Energy: 1.9168011595269923
Energy: 1.8152325093574262
Energy: 1.721393519750461
Energy: 1.81523250935855
Energy: 1.6683357569504589
Energy: 1.6439990036177252
Energy: 1.6618347087880707
Energy: 1.6439990036177252
Energy: 1.6683357569504589
Energy: 1.6439990036177252
Energy: 1.5498571927675873
Energy: 1.7227534570515943
Energy: 1.6792476720593632
Energy: 1.7227534570527179
Energy: 1.549857192768711
Energy: 1.7227534570527179
Energy: 1.5377986587170955
Energy: 1.6392373450181925
Energy: 1.6337489381053933
Energy: 1.6392373450170687
Energy: 1.5377986587170955
Energy: 1.6392373450170687
Energy: 1.5880135218316933
Energy: 1.7660561431227872
Energy: 1.567417586931121
Energy: 1.7660561431205395
Energy: 1.5880135218316933
Energy: 1.7660561431216635
Energy: 1.5132561028196303
Energy: 1.6735198339363817
Energy: 1.5715992669478864
Energy: 1.673519833935258
Energy: 1.5132561028196303
Energy: 1.673519833935258

minimum gb energy = 1.4817005588260215 eV
minimum distance =  2.20829146931906 Angstroms
sigma value = 19


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

Energy: 1.729142608242193
Energy: 1.8141424768489074
Energy: 1.7529411273393896
Energy: 1.8141424768498775
Energy: 1.729142608241223
Energy: 1.8141424768498775
Energy: 1.6572707026797284
Energy: 1.7514388745300815
Energy: 1.5087454949208337
Energy: 1.7514388745300815
Energy: 1.6572707026787585
Energy: 1.7514388745300815
Energy: 1.5474473386763088
Energy: 1.6358677181222945
Energy: 1.5060224188539575
Energy: 1.6358677181232644
Energy: 1.5474473386763088
Energy: 1.6358677181222945
Energy: 1.5828637298468697
Energy: 1.6048082772617172
Energy: 1.4589375297663771
Energy: 1.6048082772626868
Energy: 1.5828637298478396
Energy: 1.6048082772626868
Energy: 1.492517849419316
Energy: 1.6619205160018542
Energy: 1.480613385852978
Energy: 1.6619205160018542
Energy: 1.492517849419316
Energy: 1.6619205160018542
Energy: 1.4449654652816593
Energy: 1.5627672273149147
Energy: 1.4623947750029722
Energy: 1.5627672273149147
Energy: 1.4449654652816593
Energy: 1.5627672273149147
Energy: 1.5786294336957853
Energy: 1.6068856613290743
Energy: 1.381000760356228
Energy: 1.6068856613300444
Energy: 1.5786294336967552
Energy: 1.6068856613290743
Energy: 1.5180620350155882
Energy: 1.6088282571711412
Energy: 1.3949706423678507
Energy: 1.608828257170171
Energy: 1.5180620350155882
Energy: 1.608828257170171
Energy: 1.5413969098948845
Energy: 1.587874575134781
Energy: 1.4767403191660584
Energy: 1.5878745751338108
Energy: 1.5413969098948845
Energy: 1.587874575134781
Energy: 1.554220431313198
Energy: 1.6161437173488566
Energy: 1.647286202196715
Energy: 1.6161437173488566
Energy: 1.554220431313198
Energy: 1.6161437173498268
Energy: 1.608405370538815
Energy: 1.6028278172492334
Energy: 1.5058025199044158
Energy: 1.6028278172482633
Energy: 1.608405370538815
Energy: 1.6028278172482633
Energy: 1.6247213615269642
Energy: 1.7259160701932343
Energy: 1.6897264668415763
Energy: 1.7259160701932343
Energy: 1.6247213615269642
Energy: 1.7259160701922642
Energy: 1.6417193952471991
Energy: 1.6930724703574591
Energy: 1.6569157202109492
Energy: 1.693072470356489
Energy: 1.6417193952471991
Energy: 1.6930724703574591
Energy: 1.571742188070014
Energy: 1.603481106038298
Energy: 1.6588727583248386
Energy: 1.603481106038298
Energy: 1.571742188070014
Energy: 1.603481106038298
Energy: 1.556890100817043
Energy: 1.6594367718118794
Energy: 1.6890114910290275
Energy: 1.6594367718128495
Energy: 1.556890100817043
Energy: 1.6594367718128495
Energy: 1.5509610574533483
Energy: 1.5866711670017404
Energy: 1.5607432200867262
Energy: 1.5866711670017404
Energy: 1.5509610574523784
Energy: 1.5866711670017404
Energy: 1.5099190936514628
Energy: 1.5338591372179646
Energy: 1.5450234569585541
Energy: 1.5338591372189347
Energy: 1.5099190936514628
Energy: 1.5338591372179646
Energy: 1.594867983534503
Energy: 1.6863487618695407
Energy: 1.5403898957564803
Energy: 1.6863487618705106
Energy: 1.594867983534503
Energy: 1.6863487618705106
Energy: 1.5398393496839766
Energy: 1.579693348061407
Energy: 1.549334163078949
Energy: 1.579693348061407
Energy: 1.5398393496839766
Energy: 1.579693348061407
Energy: 1.5285385064033241
Energy: 1.5995440734670021
Energy: 1.623893786379559
Energy: 1.599544073466032
Energy: 1.5285385064033241
Energy: 1.599544073466032
Energy: 1.5583489883470127
Energy: 1.6194970696041866
Energy: 1.673483452403791
Energy: 1.6194970696041866
Energy: 1.5583489883460426
Energy: 1.6194970696041866
Energy: 1.525428220580665
Energy: 1.60371986536524
Energy: 1.6672070892882629
Energy: 1.60371986536524
Energy: 1.525428220580665
Energy: 1.60371986536524
Energy: 1.6293795475709887
Energy: 1.7541917016620134
Energy: 1.6937222392638789
Energy: 1.7541917016620134
Energy: 1.6293795475709887
Energy: 1.7541917016620134
Energy: 1.7267753375480064
Energy: 1.8022413213989223
Energy: 1.7372918594606745
Energy: 1.8022413213979522
Energy: 1.7267753375480064
Energy: 1.8022413213979522
Energy: 1.6312071065120768
Energy: 1.6360604915167398
Energy: 1.5196008420457658
Energy: 1.6360604915167398
Energy: 1.631207106513047
Energy: 1.6360604915167398
Energy: 1.525098036909812
Energy: 1.7289309447728074
Energy: 1.6407017903652505
Energy: 1.7289309447718373
Energy: 1.525098036909812
Energy: 1.7289309447718373
Energy: 1.5486358489261474
Energy: 1.5985237395535603
Energy: 1.4641789248083095
Energy: 1.5985237395525904
Energy: 1.5486358489261474
Energy: 1.5985237395535603
Energy: 1.47397892961657
Energy: 1.6310585976681022
Energy: 1.422717142224158
Energy: 1.6310585976681022
Energy: 1.4739789296156
Energy: 1.6310585976681022
Energy: 1.537304022521249
Energy: 1.604074740970399
Energy: 1.3742381281699327
Energy: 1.604074740970399
Energy: 1.537304022521249
Energy: 1.604074740970399

minimum gb energy = 1.3742381281699327 eV
minimum distance =  2.22680498002087 Angstroms
sigma value = 101


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

Energy: 1.6233970302112675
Energy: 1.610774948910866
Energy: 1.8163184828505283
Energy: 1.610774948910866
Energy: 1.6233970302112675
Energy: 1.610774948910866
Energy: 1.5559090553335237
Energy: 1.6233597057994624
Energy: 1.5419791151861475
Energy: 1.623359705800315
Energy: 1.5559090553335237
Energy: 1.623359705800315
Energy: 1.3536660894170123
Energy: 1.5563601375259173
Energy: 1.5629603078481393
Energy: 1.5563601375259173
Energy: 1.3536660894170123
Energy: 1.5563601375259173
Energy: 1.5936737546860098
Energy: 1.5226103882282707
Energy: 1.5123416536062066
Energy: 1.5226103882282707
Energy: 1.5936737546860098
Energy: 1.5226103882282707
Energy: 1.4964605085431624
Energy: 1.5491378753217833
Energy: 1.312593576787058
Energy: 1.549137875322636
Energy: 1.4964605085431624
Energy: 1.549137875322636
Energy: 1.4059753072879435
Energy: 1.5125544186964133
Energy: 1.456888391369678
Energy: 1.5125544186964133
Energy: 1.4059753072879435
Energy: 1.5125544186955604
Energy: 1.4329132936055993
Energy: 1.5542762236004328
Energy: 1.42940265593038
Energy: 1.5542762236004328
Energy: 1.4329132936064521
Energy: 1.5542762235995802
Energy: 1.4184133991934595
Energy: 1.5271440978479354
Energy: 1.4245850437107461
Energy: 1.5271440978479354
Energy: 1.4184133991943124
Energy: 1.5271440978479354
Energy: 1.487458447324958
Energy: 1.4868773552019505
Energy: 1.3708442769908256
Energy: 1.4868773552010979
Energy: 1.487458447324958
Energy: 1.4868773552010979
Energy: 1.3768470423703931
Energy: 1.5550605948770688
Energy: 1.5108705085221168
Energy: 1.5550605948779215
Energy: 1.3768470423695403
Energy: 1.5550605948779215
Energy: 1.404483259146139
Energy: 1.4894569109701474
Energy: 1.6126922375179997
Energy: 1.489456910971
Energy: 1.404483259146139
Energy: 1.489456910971
Energy: 1.5364733744330525
Energy: 1.5505494587547337
Energy: 1.4258260735838708
Energy: 1.5505494587555861
Energy: 1.5364733744330525
Energy: 1.5505494587547337
Energy: 1.5637267080888766
Energy: 1.539426150726706
Energy: 1.5469958341290335
Energy: 1.539426150726706
Energy: 1.563726708089729
Energy: 1.539426150726706
Energy: 1.5239297754264385
Energy: 1.728978808279917
Energy: 1.5011320160873716
Energy: 1.728978808279917
Energy: 1.5239297754272914
Energy: 1.728978808279064
Energy: 1.529863852819657
Energy: 1.7461707744707857
Energy: 1.550711393035524
Energy: 1.7461707744707857
Energy: 1.5298638528188044
Energy: 1.7461707744707857
Energy: 1.5731667347878882
Energy: 1.5398678518633422
Energy: 1.3542491926079063
Energy: 1.5398678518633422
Energy: 1.5731667347887408
Energy: 1.5398678518633422
Energy: 1.5290099964709234
Energy: 1.5425032810737767
Energy: 1.3835390681233146
Energy: 1.5425032810746293
Energy: 1.5290099964709234
Energy: 1.5425032810737767
Energy: 1.3967633939228277
Energy: 1.5719057767072562
Energy: 1.3723837364452829
Energy: 1.5719057767072562
Energy: 1.3967633939228277
Energy: 1.5719057767072562
Energy: 1.4925796772174986
Energy: 1.5004930221275505
Energy: 1.47156853895131
Energy: 1.5004930221275505
Energy: 1.4925796772166458
Energy: 1.5004930221275505
Energy: 1.4303619870146629
Energy: 1.6546733632354862
Energy: 1.5770461710327088
Energy: 1.6546733632354862
Energy: 1.4303619870146629
Energy: 1.6546733632354862
Energy: 1.3484491123668079
Energy: 1.5352570433727089
Energy: 1.4181493352359311
Energy: 1.5352570433727089
Energy: 1.3484491123668079
Energy: 1.5352570433735615
Energy: 1.5758107331107862
Energy: 1.5030886961076113
Energy: 1.3567114225590091
Energy: 1.503088696108464
Energy: 1.5758107331107862
Energy: 1.503088696108464
Energy: 1.4008994027722235
Energy: 1.484729734625427
Energy: 1.4873281068997803
Energy: 1.4847297346262796
Energy: 1.4008994027722235
Energy: 1.484729734625427
Energy: 1.5239776566525083
Energy: 1.52347954346872
Energy: 1.4173278045559583
Energy: 1.5234795434678672
Energy: 1.523977656653361
Energy: 1.52347954346872
Energy: 1.5031885428050755
Energy: 1.8235529715936696
Energy: 1.5317660872892764
Energy: 1.8235529715936696
Energy: 1.5031885428042229
Energy: 1.8235529715936696
Energy: 1.4072531447461245
Energy: 1.518531582052232
Energy: 1.5729583297908016
Energy: 1.518531582052232
Energy: 1.4072531447452719
Energy: 1.5185315820513794
Energy: 1.5378900578106265
Energy: 1.7429453539901925
Energy: 1.5329776295628266
Energy: 1.7429453539901925
Energy: 1.5378900578106265
Energy: 1.7429453539901925
Energy: 1.5391283951554482
Energy: 1.6940931424876193
Energy: 1.5307284830617338
Energy: 1.6940931424876193
Energy: 1.5391283951554482
Energy: 1.6940931424876193
Energy: 1.6455117364470195
Energy: 1.5182581168293974
Energy: 1.6216132094742854
Energy: 1.51825811683025
Energy: 1.6455117364470195
Energy: 1.51825811683025
Energy: 1.3949983460132684
Energy: 1.5433742196074358
Energy: 1.559390460827689
Energy: 1.5433742196065834
Energy: 1.3949983460132684
Energy: 1.5433742196082885
Energy: 1.575342316529234
Energy: 1.539609483065887
Energy: 1.39721376739983
Energy: 1.5396094830650344
Energy: 1.575342316529234
Energy: 1.5396094830650344
Energy: 1.4334027095066826
Energy: 1.478349630474788
Energy: 1.4569676696859761
Energy: 1.478349630474788
Energy: 1.4334027095066826
Energy: 1.478349630474788
Energy: 1.615039488514488
Energy: 1.651526225637604
Energy: 1.4833752467282673
Energy: 1.651526225637604
Energy: 1.615039488514488
Energy: 1.6515262256384569

minimum gb energy = 1.312593576787058 eV
minimum distance =  2.2315607767409 Angstroms
sigma value = 33


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

Energy: 0.01496076283906891
Energy: 0.015097819375896215
Energy: 1.409199901414851
Energy: 0.015097819374518616
Energy: 0.01496076283906891
Energy: 0.015097819375187735
Energy: 0.015108307112878137
Energy: 0.9323111658234075
Energy: 0.015108307112878137
Energy: 0.9323111658227384
Energy: 0.015108307112878137
Energy: 0.9323111658234075
Energy: 1.40919990141552
Energy: 0.015097819374518616
Energy: 0.01496076283906891
Energy: 0.015097819375187735
Energy: 1.40919990141552
Energy: 0.015097819374518616
Energy: 0.015108307112878137
Energy: 0.9323111658234075
Energy: 0.015108307112878137
Energy: 0.9323111658234075
Energy: 0.015108307112878137
Energy: 0.9323111658234075

minimum gb energy = 0.01496076283906891 eV
minimum distance =  2.45227314350395 Angstroms
sigma value = 1