Model name: model_name=EAM_Dynamo_FarkasCaro_2020_FeNiCrCoAl__MO_820335782779_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.560000121593475
cohesive_energy=4.400346012135227
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: 0.01755220451659389
Energy: 1.1454362548376953
Energy: 0.01755220451688133
Energy: 1.145436254837049
Energy: 0.01755220451688133
Energy: 1.1454362548376953
Energy: 1.1454362548373722
Energy: 1.1454362548373722
Energy: 1.1454362548376953
Energy: 1.1454362548376953
Energy: 1.1454362548380188
Energy: 1.1454362548380188
Energy: 0.01755220451659389
Energy: 1.1454362548373722
Energy: 0.01755220451688133
Energy: 1.1454362548376953
Energy: 0.01755220451688133
Energy: 1.1454362548380188
Energy: 1.1454362548376953
Energy: 1.1454362548376953
Energy: 1.1454362548367256
Energy: 1.1454362548367256
Energy: 1.1454362548367256
Energy: 1.1454362548367256
Energy: 0.01755220451688133
Energy: 1.1454362548376953
Energy: 0.01755220451688133
Energy: 1.1454362548376953
Energy: 0.01755220451688133
Energy: 1.1454362548376953
Energy: 1.145436254837049
Energy: 1.145436254837049
Energy: 1.1454362548367256
Energy: 1.1454362548367256
Energy: 1.1454362548376953
Energy: 1.1454362548376953

minimum gb energy = 0.01755220451659389 eV
minimum distance =  2.42183970276191 Angstroms
sigma value = 1


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

Energy: 1.4325672578684945
Energy: 1.2450145103355674
Energy: 1.4325672578677162
Energy: 1.245014510336346
Energy: 1.4325672578684945
Energy: 1.2450145103332322
Energy: 1.5860977581759692
Energy: 1.158220367112726
Energy: 1.586097758181418
Energy: 1.158220367112726
Energy: 1.5860977581860882
Energy: 1.158220367112726
Energy: 1.320567417914997
Energy: 1.3841286895782479
Energy: 1.320567417914219
Energy: 1.3841286895774694
Energy: 1.320567417914219
Energy: 1.3841286895782479
Energy: 1.4003136940656258
Energy: 1.2361302434370107
Energy: 1.4003136940671825
Energy: 1.236130243437789
Energy: 1.4003136940671825
Energy: 1.236130243437789
Energy: 1.3364253727386635
Energy: 1.4062967646339741
Energy: 1.3364253727386635
Energy: 1.4062967646331959
Energy: 1.3364253727371067
Energy: 1.4062967646324174
Energy: 1.437420683176132
Energy: 1.2215772249306118
Energy: 1.4374206831753533
Energy: 1.2215772249306118
Energy: 1.4374206831737968
Energy: 1.2215772249313903
Energy: 1.3320325802500783
Energy: 1.4262538181501563
Energy: 1.3320325802500783
Energy: 1.426253818149378
Energy: 1.3320325802485216
Energy: 1.426253818149378
Energy: 1.248529712439575
Energy: 1.5143786737305793
Energy: 1.2485297124387966
Energy: 1.5143786737298008
Energy: 1.2485297124380181
Energy: 1.5143786737282439
Energy: 1.3862066628025536
Energy: 1.419205762567154
Energy: 1.3862066628025536
Energy: 1.4192057625679324
Energy: 1.386206662801775
Energy: 1.4192057625679324
Energy: 1.1336477393574704
Energy: 1.4524577548345916
Energy: 1.1336477393574704
Energy: 1.4524577548345916
Energy: 1.1336477393566922
Energy: 1.4524577548306994
Energy: 1.3888376778691323
Energy: 1.259131358611508
Energy: 1.3888376778683538
Energy: 1.259131358611508
Energy: 1.3888376778683538
Energy: 1.2591313586122863
Energy: 1.063168991895264
Energy: 1.389298841496959
Energy: 1.063168991895264
Energy: 1.3892988415024075
Energy: 1.0631689918944855
Energy: 1.3892988415055214
Energy: 1.4545380199812306
Energy: 1.0662001828894516
Energy: 1.454538019979674
Energy: 1.0662001828894516
Energy: 1.4545380199765603
Energy: 1.0662001828886731
Energy: 1.2230809855484404
Energy: 1.3069153684374781
Energy: 1.2230809855507756
Energy: 1.3069153684359216
Energy: 1.2230809855499971
Energy: 1.3069153684374781
Energy: 1.582927743142538
Energy: 1.149850987361768
Energy: 1.5829277431409814
Energy: 1.149850987361768
Energy: 1.5829277431433166
Energy: 1.1498509873609897
Energy: 1.585740089818015
Energy: 1.360765175834551
Energy: 1.5857400898187932
Energy: 1.3607651758337727
Energy: 1.585740089819572
Energy: 1.360765175834551
Energy: 1.426161953475392
Energy: 1.3480509671493177
Energy: 1.4261619534761703
Energy: 1.3480509671485392
Energy: 1.426161953475392
Energy: 1.3480509671493177
Energy: 1.418540036163834
Energy: 1.248828146411385
Energy: 1.4185400361591638
Energy: 1.2488281464074928
Energy: 1.4185400361552716
Energy: 1.2488281464051578
Energy: 1.2308689216535842
Energy: 1.2374706601430043
Energy: 1.2308689216535842
Energy: 1.2374706601430043
Energy: 1.2308689216528057
Energy: 1.2374706601437826
Energy: 1.37738374348814
Energy: 1.2215252659601097
Energy: 1.3773837434904752
Energy: 1.2215252659601097
Energy: 1.3773837434904752
Energy: 1.2215252659601097
Energy: 1.1571608186042162
Energy: 1.4707550650255734
Energy: 1.1571608186018811
Energy: 1.4707550650294656
Energy: 1.1571608186003242
Energy: 1.4707550650255734
Energy: 1.442443471153982
Energy: 1.428103267288467
Energy: 1.4424434711547605
Energy: 1.428103267288467
Energy: 1.442443471155539
Energy: 1.428103267288467
Energy: 1.0579187199369957
Energy: 1.4269719790997655
Energy: 1.0579187199369957
Energy: 1.4269719790989872
Energy: 1.0579187199369957
Energy: 1.4269719790997655

minimum gb energy = 1.0579187199369957 eV
minimum distance =  2.38017650860979 Angstroms
sigma value = 33


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

Energy: 1.572072314536909
Energy: 1.5231400217498436
Energy: 1.4908538325483878
Energy: 1.5231400217485154
Energy: 1.572072314536909
Energy: 1.52314002173966
Energy: 1.4215749157092203
Energy: 1.2905059529842842
Energy: 1.4215749156999626
Energy: 1.2905059529833987
Energy: 1.4215749156995199
Energy: 1.2905059529878262
Energy: 1.15863380551043
Energy: 1.2966050454602058
Energy: 1.1586338055055596
Energy: 1.2966050454628624
Energy: 1.158633805509987
Energy: 1.2966050454540075
Energy: 1.5569299214012973
Energy: 1.5067845235727395
Energy: 1.5569299214026255
Energy: 1.506784523573182
Energy: 1.5569299214039538
Energy: 1.5067845235753958
Energy: 1.3581887921971
Energy: 1.2989079811799653
Energy: 1.358188792195329
Energy: 1.298907981175095
Energy: 1.3581887921971
Energy: 1.29890798117908
Energy: 1.3132371543062795
Energy: 1.1629807380854704
Energy: 1.3132371543031802
Energy: 1.1629807380854704
Energy: 1.3132371543084933
Energy: 1.1629807380876842
Energy: 1.5391210737220884
Energy: 1.4952559283426368
Energy: 1.5391210737234167
Energy: 1.4952559283430797
Energy: 1.5391210737229737
Energy: 1.4952559283395377
Energy: 1.0874379092390614
Energy: 1.5803875166381864
Energy: 1.0874379092337487
Energy: 1.5803875166425734
Energy: 1.0874379092395041
Energy: 1.5803875166324306
Energy: 1.1056788094628185
Energy: 1.1646319114375006
Energy: 1.1056788094610477
Energy: 1.1646319114379433
Energy: 1.1056788094623757
Energy: 1.1646319114344013
Energy: 1.1765105593458496
Energy: 1.366894848770534
Energy: 1.1765063003599465
Energy: 1.36689484876345
Energy: 1.1765105593454066
Energy: 1.366894848743969
Energy: 1.5153234595548561
Energy: 1.1754253347154182
Energy: 1.5153234595628255
Energy: 1.1754253347149757
Energy: 1.5153234595592837
Energy: 1.1754253347136474
Energy: 1.1739800095158168
Energy: 1.1800937029456207
Energy: 1.1739798885476864
Energy: 1.1800937029460634
Energy: 1.173980009515374
Energy: 1.1800937029504908
Energy: 1.4948769394953954
Energy: 1.1492473985851004
Energy: 1.4948769394962809
Energy: 1.1492473985855431
Energy: 1.4948769394883112
Energy: 1.1492473985837721
Energy: 1.4948228952830744
Energy: 1.5308246124954474
Energy: 1.4948228952830744
Energy: 1.5308246124989895
Energy: 1.4948228952830744
Energy: 1.530824612511829
Energy: 1.3685104023468313
Energy: 1.296381457830281
Energy: 1.368510402340633
Energy: 1.296381457833823
Energy: 1.3685104023472743
Energy: 1.2963814578307238
Energy: 1.1582529634641978
Energy: 1.294445918037049
Energy: 1.1582529634650836
Energy: 1.2944459180379342
Energy: 1.1582529634637553
Energy: 1.2944459180410335
Energy: 1.5986098100360984
Energy: 1.5086574140367535
Energy: 1.598609810032999
Energy: 1.5086574140367535
Energy: 1.5986098100356554
Energy: 1.5086574140442803
Energy: 1.3651155957154608
Energy: 1.1634640117984203
Energy: 1.365115595715018
Energy: 1.1634640117984203
Energy: 1.3651155957203307
Energy: 1.1634640117984203
Energy: 1.3086584562972932
Energy: 1.3087432972082196
Energy: 1.3086584563039345
Energy: 1.3087432972104331
Energy: 1.308658456301278
Energy: 1.3087432972033493
Energy: 1.5263216523928218
Energy: 1.490232448951571
Energy: 1.526321652391051
Energy: 1.490232448951571
Energy: 1.5263216523919365
Energy: 1.4902324489586551
Energy: 1.0853259660608423
Energy: 1.4217634574709384
Energy: 1.0853259660608423
Energy: 1.4217634574691675
Energy: 1.085325966061285
Energy: 1.4217634574735951
Energy: 1.2450705030114027
Energy: 1.1591089816654716
Energy: 1.245070503019372
Energy: 1.1591089816659144
Energy: 1.2450705030224714
Energy: 1.1591089816672426
Energy: 1.1881235841055333
Energy: 1.1619438286925232
Energy: 1.1829448101964386
Energy: 1.1623170277571722
Energy: 1.1881235841055333
Energy: 1.1629822559431393
Energy: 1.3779565500361763
Energy: 1.3520800183043016
Energy: 1.3779565519037382
Energy: 1.3520800183038586
Energy: 1.3779565308169408
Energy: 1.3520800183118282
Energy: 1.158886230781545
Energy: 1.22746169586176
Energy: 1.1588853295280068
Energy: 1.2274616958480349
Energy: 1.158886230781545
Energy: 1.2274616958453783
Energy: 1.5784111175245519
Energy: 1.5172657279357815
Energy: 1.5011291433070801
Energy: 1.5172657279317967
Energy: 1.5784111175254374
Energy: 1.5172657279424226
Energy: 1.5782904601934784
Energy: 1.4965330921720497
Energy: 1.5010566438382686
Energy: 1.4965330921689504
Energy: 1.5782904601921501
Energy: 1.4965330921618663
Energy: 1.1593166021815169
Energy: 1.1132568193459709
Energy: 1.1593166021810741
Energy: 1.1132568193464139
Energy: 1.1593166021815169
Energy: 1.11325681933933
Energy: 1.3672355372871485
Energy: 1.2898805005829082
Energy: 1.3672355372858203
Energy: 1.2898805005833511
Energy: 1.3672355372929044
Energy: 1.2898805005811371
Energy: 1.1914835959720673
Energy: 1.4492241119343183
Energy: 1.191483595971182
Energy: 1.4493255150972613
Energy: 1.1914835959725103
Energy: 1.4499647155922146
Energy: 1.36836908542516
Energy: 1.1646843016160255
Energy: 1.3683690854225037
Energy: 1.1646843016169108
Energy: 1.3683690854220607
Energy: 1.1646843016248805
Energy: 1.1477485442499096
Energy: 1.3409142821232773
Energy: 1.1477485442516806
Energy: 1.3409142821192928
Energy: 1.1477485442499096
Energy: 1.3409142821179645
Energy: 1.5247302549075559
Energy: 1.4899276068863467
Energy: 1.524730254899144
Energy: 1.4899276068863467
Energy: 1.5247302549079988
Energy: 1.489927606889003
Energy: 1.2949978095062027
Energy: 1.3700965231735052
Energy: 1.2949978095159433
Energy: 1.3700965231743907
Energy: 1.2949978095053174
Energy: 1.3700965231770472
Energy: 1.297267247494729
Energy: 1.1632989432728336
Energy: 1.2972672474991163
Energy: 1.1632989432723908
Energy: 1.2972672474969025
Energy: 1.1632989432675203
Energy: 1.5057869686203478
Energy: 1.6021085989763633
Energy: 1.5057869686172485
Energy: 1.6021085989763633
Energy: 1.5057869686203478
Energy: 1.6021085989794626
Energy: 1.158601746690064
Energy: 1.3692750030822392
Energy: 1.158613489251391
Energy: 1.3692750030817964
Energy: 1.158601746690064
Energy: 1.3692750030809109
Energy: 1.3109814443879795
Energy: 1.3113666533758879
Energy: 1.3109814443897503
Energy: 1.311366653375445
Energy: 1.3109814443897503
Energy: 1.3113666533887274
Energy: 1.4950972099999384
Energy: 1.5286032745150155
Energy: 1.4950972100008237
Energy: 1.5286032745119165
Energy: 1.4950972099990527
Energy: 1.5286032745097025
Energy: 1.5204994613787228
Energy: 1.0868708504731328
Energy: 1.5204994613672518
Energy: 1.0868708504731328
Energy: 1.5204994613773948
Energy: 1.0868708504735753
Energy: 1.174186180878847
Energy: 1.1043302366899463
Energy: 1.1741861808757479
Energy: 1.1043302366899463
Energy: 1.1741861808784042
Energy: 1.104330236686847

minimum gb energy = 1.0853259660608423 eV
minimum distance =  2.3902161621793 Angstroms
sigma value = 51


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

Energy: 1.3013624429861859
Energy: 1.3353132103727507
Energy: 1.30136244298516
Energy: 1.335313210375828
Energy: 1.3013624429861859
Energy: 1.3353132103737764
Energy: 1.3891895698373824
Energy: 1.2137548827489295
Energy: 1.3891895698384082
Energy: 1.2137548827489295
Energy: 1.38918956984046
Energy: 1.2137548827499556
Energy: 1.2081033647421593
Energy: 1.2608035958456014
Energy: 1.2081033647431851
Energy: 1.26080359584355
Energy: 1.2081033647431851
Energy: 1.2608035958456014
Energy: 1.3378884855910502
Energy: 1.1147091519812815
Energy: 1.3378884855920763
Energy: 1.1147091519812815
Energy: 1.3378884855889988
Energy: 1.1147091519812815
Energy: 1.3515837901689325
Energy: 1.300820228948448
Energy: 1.351583790169958
Energy: 1.300820228942293
Energy: 1.351583790169958
Energy: 1.3008202289443447
Energy: 1.1500104381686709
Energy: 1.2993044418634225
Energy: 1.1500104381696967
Energy: 1.2993044418654742
Energy: 1.1500104381696967
Energy: 1.2993044418654742
Energy: 1.2330788954357026
Energy: 1.3043638896541976
Energy: 1.2330788954357026
Energy: 1.3043638896541976
Energy: 1.2330788954367284
Energy: 1.3043638896541976
Energy: 1.217813298153115
Energy: 1.3017201458882328
Energy: 1.2178132981541405
Energy: 1.3017201458882328
Energy: 1.2178132981541405
Energy: 1.3017201458872067
Energy: 1.543953574595842
Energy: 1.110419395757908
Energy: 1.543953574590713
Energy: 1.110419395757908
Energy: 1.5439535745927644
Energy: 1.110419395757908
Energy: 1.1139483049430532
Energy: 1.4556446317540777
Energy: 1.1139483049430532
Energy: 1.4556446317551033
Energy: 1.1139483049430532
Energy: 1.4556446317551033
Energy: 1.2897149955351481
Energy: 1.127419119198585
Energy: 1.289714995536174
Energy: 1.127419119198585
Energy: 1.2897149955371996
Energy: 1.127419119198585
Energy: 1.304357995540776
Energy: 1.3376470003573977
Energy: 1.304357995540776
Energy: 1.3376470003594494
Energy: 1.304357995540776
Energy: 1.3376470003604752
Energy: 1.385031146999235
Energy: 1.2146387041657343
Energy: 1.385031146998209
Energy: 1.2146387041657343
Energy: 1.38503114700539
Energy: 1.2146387041647084
Energy: 1.31315623234831
Energy: 1.2070555939053496
Energy: 1.3131562323544648
Energy: 1.2070555939012462
Energy: 1.3131562323513872
Energy: 1.207055593908427
Energy: 1.332633719991046
Energy: 1.3182199501212708
Energy: 1.3326337199900202
Energy: 1.3182199501212708
Energy: 1.3326337199900202
Energy: 1.3182199501222969
Energy: 1.3492640347319704
Energy: 1.299035649886101
Energy: 1.3492640347381255
Energy: 1.299035649879946
Energy: 1.3492640347412033
Energy: 1.299035649879946
Energy: 1.4181697854362154
Energy: 1.2883278696901828
Energy: 1.4181697854362154
Energy: 1.2883278696901828
Energy: 1.4181697854362154
Energy: 1.2883278696983895
Energy: 1.2821244636869875
Energy: 1.3022806902917838
Energy: 1.2821244636828841
Energy: 1.3022806902928095
Energy: 1.28212446368391
Energy: 1.3022806902928095

minimum gb energy = 1.110419395757908 eV
minimum distance =  2.30883486967222 Angstroms
sigma value = 19


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

Energy: 0.9505788199470311
Energy: 1.0256869391201517
Energy: 0.9505788199470311
Energy: 1.0256869391195433
Energy: 0.9505788199470311
Energy: 1.0256869391195433
Energy: 1.0625799017374484
Energy: 1.3389551314125037
Energy: 1.062579901741708
Energy: 1.338955131408244
Energy: 1.0625799017374484
Energy: 1.3389551314094612
Energy: 0.9726561071539661
Energy: 1.3344991092580427
Energy: 0.9726561071533576
Energy: 1.3344991092616938
Energy: 0.9726561071539661
Energy: 1.3344991092726193
Energy: 0.9755027737002305
Energy: 0.9722962364052279
Energy: 0.9755027737002305
Energy: 0.9722962364052279
Energy: 0.975502773699622
Energy: 0.9722962364058364
Energy: 0.9653003671273828
Energy: 0.9436505896114589
Energy: 0.9653003671273828
Energy: 0.9436505896108502
Energy: 0.9653003671279915
Energy: 0.9436505896102418
Energy: 0.9653220739960501
Energy: 0.9439365480843801
Energy: 0.9653220739917906
Energy: 0.9439365480837715
Energy: 0.9653220739966586
Energy: 0.9439365480837715
Energy: 0.9753148721201972
Energy: 0.9722002231500022
Energy: 0.9753148721214141
Energy: 0.9722002231500022
Energy: 0.9753148721214141
Energy: 0.9722002231506107
Energy: 0.9725649279190312
Energy: 1.3341819795983687
Energy: 0.9725649279184225
Energy: 1.3341819796001944
Energy: 0.9725649279190312
Energy: 1.3341819795971517
Energy: 1.0624939784060359
Energy: 1.3393715732462124
Energy: 1.0624939784066443
Energy: 1.339371573246821
Energy: 1.0624939784060359
Energy: 1.3393715732462124
Energy: 0.9505788199470311
Energy: 1.0256869391195433
Energy: 0.9505788199470311
Energy: 1.025686939118935
Energy: 0.9505788199470311
Energy: 1.0256869391201517
Energy: 1.0625799017404909
Energy: 1.338955131410678
Energy: 1.0625799017404909
Energy: 1.3389551314088526
Energy: 1.0625799017398823
Energy: 1.338955131408244
Energy: 0.9726561071539661
Energy: 1.3344991092501324
Energy: 0.9726561071533576
Energy: 1.3344991092586516
Energy: 0.9726561071533576
Energy: 1.3344991092550005
Energy: 0.9755027736990135
Energy: 0.9722962364052279
Energy: 0.975502773699622
Energy: 0.9722962364058364
Energy: 0.975502773699622
Energy: 0.9722962364052279
Energy: 0.9653003671273828
Energy: 0.9436505896108502
Energy: 0.9653003671279915
Energy: 0.9436505896120672
Energy: 0.9653003671273828
Energy: 0.9436505896126758
Energy: 0.9653220739936162
Energy: 0.9439365480825544
Energy: 0.9653220739923991
Energy: 0.9439365480825544
Energy: 0.9653220739881395
Energy: 0.9439365480831631
Energy: 0.9753148721183716
Energy: 0.9722002231506107
Energy: 0.9753148721214141
Energy: 0.9722002231487852
Energy: 0.9753148721268906
Energy: 0.9722002231506107
Energy: 0.9725649279184225
Energy: 1.3341819795959349
Energy: 0.9725649279190312
Energy: 1.3341819795983687
Energy: 0.9725649279190312
Energy: 1.334181979600803
Energy: 1.062493978407253
Energy: 1.3393715732498634
Energy: 1.0624939784054273
Energy: 1.3393715732522973
Energy: 1.062493978407253
Energy: 1.3393715732492548
Energy: 0.9505788199470311
Energy: 1.025686939118935
Energy: 0.9505788199470311
Energy: 1.025686939118935
Energy: 0.9505788199470311
Energy: 1.025686939118935
Energy: 1.062579901739274
Energy: 1.3389551314100696
Energy: 1.062579901739274
Energy: 1.3389551314100696
Energy: 1.0625799017386655
Energy: 1.3389551314088526
Energy: 0.9726561071533576
Energy: 1.3344991092993936
Energy: 0.9726561071533576
Energy: 1.3344991092933083
Energy: 0.9726561071539661
Energy: 1.3344991092981762
Energy: 0.975502773698405
Energy: 0.9722962364058364
Energy: 0.9755027737002305
Energy: 0.9722962364052279
Energy: 0.975502773698405
Energy: 0.9722962364052279
Energy: 0.9653003671279915
Energy: 0.9436505896126758
Energy: 0.9653003671285998
Energy: 0.9436505896120672
Energy: 0.9653003671279915
Energy: 0.9436505896126758
Energy: 0.9653220739923991
Energy: 0.9439365480825544
Energy: 0.9653220739936162
Energy: 0.9439365480825544
Energy: 0.9653220739923991
Energy: 0.9439365480819462
Energy: 0.9753148721256736
Energy: 0.9722002231500022
Energy: 0.9753148721165461
Energy: 0.9722002231500022
Energy: 0.9753148721208056
Energy: 0.9722002231500022
Energy: 0.9725649279190312
Energy: 1.3341819796001944
Energy: 0.9725649279184225
Energy: 1.3341819795922838
Energy: 0.9725649279190312
Energy: 1.3341819795898775
Energy: 1.0624939784060359
Energy: 1.339371573251689
Energy: 1.0624939784060359
Energy: 1.3393715732522973
Energy: 1.0624939784066443
Energy: 1.3393715732486464
Energy: 0.9505788199470311
Energy: 1.025686939118935
Energy: 0.9505788199470311
Energy: 1.025686939118935
Energy: 0.9505788199470311
Energy: 1.025686939118935
Energy: 1.0625799017423163
Energy: 1.3389551314125037
Energy: 1.0625799017410993
Energy: 1.3389551314088526
Energy: 1.0625799017404909
Energy: 1.338955131407027
Energy: 0.9726561071533576
Energy: 1.334499109267779
Energy: 0.9726561071527491
Energy: 1.3344991093079126
Energy: 0.9726561071533576
Energy: 1.3344991093012188

minimum gb energy = 0.9436505896102418 eV
minimum distance =  2.30621822321882 Angstroms
sigma value = 27


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

Energy: 0.9223878120863122
Energy: 0.9322933989198584
Energy: 0.9223878120878026
Energy: 0.9322933989198584
Energy: 0.9223878120878026
Energy: 0.9322933989198584
Energy: 1.1319335416999294
Energy: 0.9603656670052141
Energy: 1.1319335416999294
Energy: 0.9603656670081951
Energy: 1.1319335416984388
Energy: 0.9603656670067046
Energy: 1.0231943800377197
Energy: 1.0151880167751812
Energy: 1.0231943800362293
Energy: 1.015188016782634
Energy: 1.0231943800377197
Energy: 1.0151880167766718
Energy: 1.1971576519391833
Energy: 0.9176510035400679
Energy: 1.1971576519391833
Energy: 0.9176510035385774
Energy: 1.1971576519406737
Energy: 0.9176510035385774
Energy: 1.1926315466356474
Energy: 0.9120626182050773
Energy: 1.1926315466356474
Energy: 0.9120626182035867
Energy: 1.1926315466356474
Energy: 0.9120626182050773
Energy: 1.2378571015104576
Energy: 1.2300481542203434
Energy: 1.237857101508967
Energy: 1.230048154218853
Energy: 1.237857101508967
Energy: 1.2300481542203434
Energy: 0.9144208453857574
Energy: 0.9629634093455047
Energy: 0.9144208453857574
Energy: 0.9629634093455047
Energy: 0.914420845384267
Energy: 0.9629634093455047
Energy: 0.9074485164274847
Energy: 0.935072780780778
Energy: 0.9074485164245036
Energy: 0.935072780780778
Energy: 0.9074485164259941
Energy: 0.935072780780778
Energy: 1.1299257392354514
Energy: 1.023873158675995
Energy: 1.1299257392369417
Energy: 1.0238731586745047
Energy: 1.1299257392384323
Energy: 1.0238731586745047
Energy: 1.1189978283487825
Energy: 1.1807073155507595
Energy: 1.1189978283487825
Energy: 1.18070731555225
Energy: 1.1189978283487825
Energy: 1.1807073155478123
Energy: 0.9333372957373647
Energy: 0.9121623932115196
Energy: 0.9333372957373647
Energy: 0.9121623932115196
Energy: 0.9333372957373647
Energy: 0.9121623932115196
Energy: 1.2768132209587486
Energy: 1.1312747769034395
Energy: 1.2768132209587486
Energy: 1.131274776910892
Energy: 1.2768132209587486
Energy: 1.1312747769153637

minimum gb energy = 0.9074485164245036 eV
minimum distance =  2.35472571898788 Angstroms
sigma value = 9


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

Energy: 1.0421682725257453
Energy: 0.9298213926791148
Energy: 1.042168272528258
Energy: 0.9298213926782772
Energy: 1.042168272528258
Energy: 0.9298213926699012
Energy: 0.8983354580747287
Energy: 0.935522817430053
Energy: 0.8983354580634592
Energy: 0.9355228174304718
Energy: 0.8983354580626215
Energy: 0.9355228174287966
Energy: 0.8745598656709018
Energy: 0.9095459109092459
Energy: 0.8745598656700643
Energy: 0.9095459109146903
Energy: 0.8745598656709018
Energy: 0.9095459109142714
Energy: 0.8461237331986462
Energy: 0.8044080723512776
Energy: 0.8461237331986462
Energy: 0.8044080723512776
Energy: 0.8461237331994838
Energy: 0.8044080723504399
Energy: 0.9736565555457185
Energy: 0.9277994857097379
Energy: 0.9736565555452996
Energy: 0.9277994857093191
Energy: 0.9736565555473937
Energy: 0.9277994857101566
Energy: 0.988536776403731
Energy: 0.9853570361045094
Energy: 0.9885367763911671
Energy: 0.9853570361074411
Energy: 0.9885367763899106
Energy: 0.9853570360999027
Energy: 0.915455637866922
Energy: 0.9943835163467893
Energy: 0.9154556378631526
Energy: 0.9943835163467893
Energy: 0.9154556378677594
Energy: 0.9943835163467893
Energy: 0.7972912478463513
Energy: 0.9416471957346566
Energy: 0.7972912478463513
Energy: 0.9416471957342377
Energy: 0.7972912478459325
Energy: 0.9416471957342377
Energy: 0.9290268740648139
Energy: 0.9289871857857135
Energy: 0.9290268740643951
Energy: 0.9289871857861323
Energy: 0.9290268740656515
Energy: 0.9289871857857135
Energy: 0.9803711630194543
Energy: 0.9716121429909249
Energy: 0.9803711630207107
Energy: 0.9716121429913436
Energy: 0.9803711630182358
Energy: 0.9716121429900872
Energy: 0.851590192634998
Energy: 0.79780314643145
Energy: 0.8515901926358357
Energy: 0.7978031464310313
Energy: 0.8515901926345792
Energy: 0.79780314643145
Energy: 0.9462405864030821
Energy: 0.9933645529273095
Energy: 0.9462405864022446
Energy: 0.9933645529264721
Energy: 0.9462405864026633
Energy: 0.9933645529260532
Energy: 0.9063010205735443
Energy: 0.9939257006926078
Energy: 0.9063010205760571
Energy: 0.9939257006875822
Energy: 0.9063010205798264
Energy: 0.9939257006909327
Energy: 1.0504723501566522
Energy: 0.9779493163226389
Energy: 1.0504723501595838
Energy: 0.9779493163213825
Energy: 1.05047235016084
Energy: 0.9779493163201262
Energy: 0.8279505715974111
Energy: 0.9577596864417819
Energy: 0.8279505715974111
Energy: 0.9577596864371751
Energy: 0.8279505715978298
Energy: 0.9577596864401067
Energy: 0.8670450003645581
Energy: 0.9820609635418439
Energy: 0.8670450003653958
Energy: 0.9820609635426815
Energy: 0.8670450003633018
Energy: 0.9820609635410061
Energy: 1.264858512797653
Energy: 0.7886374619384698
Energy: 1.2648585127972345
Energy: 0.7886374619380508
Energy: 1.2648585127972345
Energy: 0.7886374619384698
Energy: 0.8415318632448116
Energy: 0.9266363446903736
Energy: 0.8415318632452304
Energy: 0.9266363446920488
Energy: 0.8415318632439741
Energy: 0.9266363446920488
Energy: 0.8015026704264085
Energy: 1.242289519895268
Energy: 0.8015026704247333
Energy: 1.2422895198990371
Energy: 0.8015026704251521
Energy: 1.2422895198990371
Energy: 1.0241673153739523
Energy: 0.9468825084096737
Energy: 1.0241673153848414
Energy: 0.9468825084100924
Energy: 1.0241673153860977
Energy: 0.9468825084096737
Energy: 0.8027748701270924
Energy: 1.2430187231648682
Energy: 0.8027748701262548
Energy: 1.2430187231673808
Energy: 0.8027748701275111
Energy: 1.2430187231648682
Energy: 0.8413228418180217
Energy: 0.9263059046641478
Energy: 0.8413228418180217
Energy: 0.9263059046603785
Energy: 0.8413228418184407
Energy: 0.9263059046633102
Energy: 1.2645916545751972
Energy: 0.788934349142161
Energy: 1.2645916545768723
Energy: 0.7889343491409047
Energy: 1.2645916545768723
Energy: 0.7889343491413234
Energy: 0.8670782673150573
Energy: 0.9157904457591968
Energy: 0.867078267313801
Energy: 0.9157904460551742
Energy: 0.8670782673129634
Energy: 0.915790445361527
Energy: 0.828140648687075
Energy: 0.9576955669947355
Energy: 0.8281406486862374
Energy: 0.9576955669947355
Energy: 0.8281406486866563
Energy: 0.9576955669947355
Energy: 1.0522364470520527
Energy: 0.9787609881305769
Energy: 1.0522364470487025
Energy: 0.9787609881305769
Energy: 1.052236447051215
Energy: 0.9787609881293206
Energy: 0.9063871842629592
Energy: 0.9935880904719018
Energy: 0.9063871842650533
Energy: 0.9935880904735769
Energy: 0.9063871842684037
Energy: 0.9935880904706451
Energy: 0.9465632504495092
Energy: 0.823376004251059
Energy: 0.946563250447834
Energy: 0.8233760042514777
Energy: 0.9465632504499281
Energy: 0.8233760042506401
Energy: 0.8512477555231768
Energy: 0.7977643332739165
Energy: 0.8512477555219202
Energy: 0.7977643332743354
Energy: 0.8512477555240143
Energy: 0.7977643332743354
Energy: 0.9805120209650675
Energy: 0.7723521609882077
Energy: 0.9805120209642298
Energy: 0.7723521609882077
Energy: 0.9805120209650675
Energy: 0.7723521609886265
Energy: 0.9289203595082581
Energy: 0.9291254921297258
Energy: 0.9289203595028138
Energy: 0.9291254921297258
Energy: 0.9289203595036514
Energy: 0.9291254921293071
Energy: 0.7970451516563186
Energy: 0.9415924637764029
Energy: 0.7970451516567375
Energy: 0.9415924637764029
Energy: 0.7970451516567375
Energy: 0.9415924637755653
Energy: 0.9149107027878896
Energy: 0.9947249965481745
Energy: 0.9149107028000347
Energy: 0.9947249965481745
Energy: 0.9149107027904024
Energy: 0.9947249965464993
Energy: 0.9887601015903538
Energy: 0.8644446048786255
Energy: 0.9887601015899351
Energy: 0.8644446048777878
Energy: 0.988760101587841
Energy: 0.8644446048777878
Energy: 0.9735595914544499
Energy: 0.9280732907094141
Energy: 0.973559591452356
Energy: 0.9280732907094141
Energy: 0.9735595914548688
Energy: 0.9280732907089951
Energy: 0.8462423247542423
Energy: 0.8024709359834111
Energy: 0.8462423247546612
Energy: 0.8024709359842487
Energy: 0.8462423247563363
Energy: 0.8024709359846676
Energy: 0.874377135101845
Energy: 0.9105161593597366
Energy: 0.8743771351014261
Energy: 0.910516159371463
Energy: 0.8743771350997509
Energy: 0.9105161593568051
Energy: 0.897775576702973
Energy: 0.9029163061695861
Energy: 0.8977755767012979
Energy: 0.9029163061691672
Energy: 0.8977755767038107
Energy: 0.9029163061700047
Energy: 1.042168272528258
Energy: 0.929821392674508
Energy: 1.0421682725320272
Energy: 0.9298213926719953
Energy: 1.0421682725307708
Energy: 0.9298213926719953
Energy: 0.8983354580998567
Energy: 0.8679622768415987
Energy: 0.898335458122472
Energy: 0.8679622768415987
Energy: 0.8983354581166088
Energy: 0.8679622768415987
Energy: 0.8745598656688078
Energy: 0.9095459109146903
Energy: 0.8745598656688078
Energy: 0.9095459109117586
Energy: 0.8745598656675514
Energy: 0.9095459109176218
Energy: 0.8461237332003214
Energy: 0.8044080723479272
Energy: 0.8461237332015777
Energy: 0.8044080723479272
Energy: 0.846123733201159
Energy: 0.8044080723479272
Energy: 0.9736565555419492
Energy: 0.9277994857139259
Energy: 0.9736565555406929
Energy: 0.927799485713507
Energy: 0.9736565555423681
Energy: 0.9277994857143447

minimum gb energy = 0.7723521609882077 eV
minimum distance =  2.36969829475191 Angstroms
sigma value = 57


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

Energy: 0.4635830695566273
Energy: 0.47207118605281756
Energy: 0.4635830695566273
Energy: 0.47207118605281756
Energy: 0.46358306955567397
Energy: 0.47207118605281756
Energy: 0.4172447668331154
Energy: 0.5878089267237515
Energy: 0.41724476683120865
Energy: 0.5878089267285183
Energy: 0.4172447668331154
Energy: 0.5878089267266114
Energy: 0.4545604196955736
Energy: 0.47512946174215775
Energy: 0.45456041969366695
Energy: 0.4751294617431111
Energy: 0.4545604196946203
Energy: 0.47512946174215775
Energy: 0.47525142562553707
Energy: 0.4719639618215357
Energy: 0.47525142562553707
Energy: 0.47196396182058237
Energy: 0.4752514256264904
Energy: 0.47196396182248906
Energy: 0.4182209718034923
Energy: 0.420135954008505
Energy: 0.41822097180158563
Energy: 0.42013595401041176
Energy: 0.4182209718025389
Energy: 0.42013595400945836
Energy: 0.46447747371828996
Energy: 0.4529412207111909
Energy: 0.46447747371828996
Energy: 0.4529412207121442
Energy: 0.46447747371828996
Energy: 0.4529412207111909
Energy: 0.4645443120230637
Energy: 0.4529534349490042
Energy: 0.464544312024017
Energy: 0.45295343494995755
Energy: 0.464544312024017
Energy: 0.45295343494995755
Energy: 0.41823448087307985
Energy: 0.4203722042422488
Energy: 0.41823448087307985
Energy: 0.4203722042412954
Energy: 0.4182344808740332
Energy: 0.4203722042412954
Energy: 0.4753866467787091
Energy: 0.4718436324972684
Energy: 0.4753866467787091
Energy: 0.4718436324972684
Energy: 0.4753866467787091
Energy: 0.4718436324972684
Energy: 0.4545168146982435
Energy: 0.4752540750674023
Energy: 0.45451681469633687
Energy: 0.4752540750674023
Energy: 0.4545168146972902
Energy: 0.4752540750693089
Energy: 0.4175957652121619
Energy: 0.5880776242281787
Energy: 0.4175957652121619
Energy: 0.5880776242338986
Energy: 0.4175957652121619
Energy: 0.588077624237712
Energy: 0.4635830695566273
Energy: 0.47207118605377096
Energy: 0.4635830695566273
Energy: 0.47207118605281756
Energy: 0.4635830695566273
Energy: 0.47207118605281756
Energy: 0.41724476683120865
Energy: 0.5878089267285183
Energy: 0.4172447668331154
Energy: 0.5878089267247049
Energy: 0.417244766829302
Energy: 0.5878089267237515
Energy: 0.45456041969366695
Energy: 0.4751294617392977
Energy: 0.45456041969366695
Energy: 0.47512946174215775
Energy: 0.45456041969366695
Energy: 0.4751294617431111
Energy: 0.4752514256264904
Energy: 0.47196396182058237
Energy: 0.4752514256264904
Energy: 0.47196396182058237
Energy: 0.47525142562553707
Energy: 0.4719639618215357
Energy: 0.41822097180158563
Energy: 0.42013595400945836
Energy: 0.4182209718025389
Energy: 0.42013595400945836
Energy: 0.4182209718034923
Energy: 0.42013595401041176
Energy: 0.46447747371828996
Energy: 0.4529412207111909
Energy: 0.46447747371828996
Energy: 0.4529412207121442
Energy: 0.46447747371828996
Energy: 0.4529412207111909
Energy: 0.4645443120230637
Energy: 0.45295343494995755
Energy: 0.464544312024017
Energy: 0.45295343494995755
Energy: 0.4645443120230637
Energy: 0.4529534349490042
Energy: 0.41823448087307985
Energy: 0.4203722042412954
Energy: 0.41823448087307985
Energy: 0.4203722042412954
Energy: 0.41823448087307985
Energy: 0.42037220423938876

minimum gb energy = 0.417244766829302 eV
minimum distance =  2.40111379076062 Angstroms
sigma value = 11


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

Energy: 0.6874930702266371
Energy: 0.9824730483889597
Energy: 0.6874930702098769
Energy: 0.9824730483889597
Energy: 0.6874930702210504
Energy: 0.9824730483896579
Energy: 0.9625990914067651
Energy: 0.8483089730569752
Energy: 0.9625990914074635
Energy: 0.8483089730583718
Energy: 0.9625990914067651
Energy: 0.8483089730597684
Energy: 1.0582575778919179
Energy: 1.0682161508732098
Energy: 1.0582575778919179
Energy: 1.0682161508704162
Energy: 1.058257577892616
Energy: 1.0682161508711148
Energy: 0.9091294974640384
Energy: 0.6818648596243017
Energy: 0.9091294974619434
Energy: 0.681864859622905
Energy: 0.9091294974647367
Energy: 0.6818648596236034
Energy: 0.9745156408544624
Energy: 0.6591160755593044
Energy: 0.9745156408544624
Energy: 0.6591160755593044
Energy: 0.9745156408537642
Energy: 0.6591160755593044
Energy: 0.8716776543127502
Energy: 0.7158966744837556
Energy: 0.8716776543162421
Energy: 0.7158966744830574
Energy: 0.8716776543141471
Energy: 0.7158966744809623
Energy: 0.6586488906796338
Energy: 0.7078071474207617
Energy: 0.6586488907473094
Energy: 0.7078071474242535
Energy: 0.6586488906656671
Energy: 0.7078071474207617
Energy: 1.0236072185016116
Energy: 0.6400921897111799
Energy: 1.0236072185016116
Energy: 0.6400921897111799
Energy: 1.0236072185002147
Energy: 0.6400921897097832
Energy: 1.0229365349929396
Energy: 0.6414603537294681
Energy: 1.0229365349922415
Energy: 0.6414603537294681
Energy: 1.0229365349943365
Energy: 0.6414603537294681
Energy: 0.6321226873160308
Energy: 1.2086642512218724
Energy: 0.6321226873139358
Energy: 1.208664251221174
Energy: 0.6321226873132375
Energy: 1.2086642512225707
Energy: 0.891836648439286
Energy: 0.9461664371589984
Energy: 0.8918366484364925
Energy: 0.9461664371583001
Energy: 0.891836648439286
Energy: 0.9461664371583001
Energy: 0.9739049840626384
Energy: 0.656192186898468
Energy: 0.9739049840647336
Energy: 0.656192186898468
Energy: 0.9739049840619401
Energy: 0.656192186898468
Energy: 1.051856242062681
Energy: 0.6854607943254131
Energy: 1.051856242061284
Energy: 0.6854607943268098
Energy: 1.051856242062681
Energy: 0.6854607943254131
Energy: 1.046010866238057
Energy: 1.0696189094265136
Energy: 1.0460108662373584
Energy: 1.069618909425117
Energy: 1.046010866238057
Energy: 1.069618909425117
Energy: 0.9627229520330933
Energy: 0.7204192090433429
Energy: 0.96272295203449
Energy: 0.7204192090342645
Energy: 0.9627229520330933
Energy: 0.7204192090391529
Energy: 0.6827745447009536
Energy: 0.8416843457580362
Energy: 0.6827745447023502
Energy: 0.8416843457560047
Energy: 0.6827745446995569
Energy: 0.8416843457608296
Energy: 0.8532797757869599
Energy: 0.8467002536611065
Energy: 0.8532797757869599
Energy: 0.8467002536604082
Energy: 0.8532797757883566
Energy: 0.8467002536597098
Energy: 1.2215893371029825
Energy: 0.7308849882085307
Energy: 1.2215893370994908
Energy: 0.7308849882643979
Energy: 1.2215893371008875
Energy: 0.7308849882532245
Energy: 0.8900578036335743
Energy: 0.6795088704664475
Energy: 0.8900578036363678
Energy: 0.6795088704664475
Energy: 0.8900578036356694
Energy: 0.6795088704657491
Energy: 0.9745007778131582
Energy: 0.8577109863665253
Energy: 0.9745007778131582
Energy: 0.857710986365827
Energy: 0.9745007778131582
Energy: 0.8577109863644301
Energy: 0.6327753287866905
Energy: 0.9617844960517528
Energy: 0.6327753287887855
Energy: 0.9617844960510545
Energy: 0.6327753287880872
Energy: 0.9617844960447693
Energy: 0.6864759945517289
Energy: 0.7064210594153645
Energy: 0.6864759945517289
Energy: 0.7064210594160627
Energy: 0.686475994553824
Energy: 0.7064210594146662
Energy: 0.844090712048798
Energy: 0.871341672591326
Energy: 0.8440907120418147
Energy: 0.8713416725906278
Energy: 0.844090712048798
Energy: 0.8713416725906278
Energy: 1.0250356647625765
Energy: 0.8086518583478243
Energy: 1.0250356647646715
Energy: 0.8086518583478243
Energy: 1.0250356647625765
Energy: 0.8086518583478243
Energy: 0.6338771237398131
Energy: 1.2159254644459963
Energy: 0.6338771237405114
Energy: 1.2159254644466944
Energy: 0.6338771237405114
Energy: 1.2159254644487894
Energy: 1.4043950109600198
Energy: 0.9467869166009286
Energy: 1.4043950109614165
Energy: 0.9467869166079119
Energy: 1.4043950109614165
Energy: 0.9467869166030237

minimum gb energy = 0.6321226873132375 eV
minimum distance =  2.36552011902425 Angstroms
sigma value = 41


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

Energy: 0.8900837611008409
Energy: 0.7841870692940206
Energy: 0.7785828811682431
Energy: 0.7841870692934703
Energy: 0.8900837610953369
Energy: 0.7841870692934703
Energy: 0.8528703505975329
Energy: 1.0811821622433657
Energy: 0.8528703505958818
Energy: 1.0811821622461175
Energy: 0.8528703505964322
Energy: 1.0811821622472186
Energy: 1.035456798518917
Energy: 0.8209744276908465
Energy: 1.035456798520568
Energy: 0.8209744276814898
Energy: 1.035456798518917
Energy: 0.8209744276836912
Energy: 0.7474502700235977
Energy: 0.7769516781095837
Energy: 0.7474502700197446
Energy: 0.7769516781040796
Energy: 0.7474502700241479
Energy: 0.7769516781040796
Energy: 0.7995413998793509
Energy: 0.8126874741728628
Energy: 0.799592221833055
Energy: 0.8126874741679092
Energy: 0.799541399884805
Energy: 0.8126874741684594
Energy: 0.8916384208579087
Energy: 0.8997205612466448
Energy: 0.8916384208623118
Energy: 0.899720561248296
Energy: 0.8916384208644635
Energy: 0.8997205612493968
Energy: 0.8030884674642353
Energy: 0.7410438202155456
Energy: 0.8030884674669875
Energy: 0.7410438202166463
Energy: 0.8030884674735924
Energy: 0.7410438202160959
Energy: 0.8985501701988996
Energy: 0.776944787645463
Energy: 0.8987098795563061
Energy: 0.7769447876476646
Energy: 0.8985501702000004
Energy: 0.7769447876471144
Energy: 0.7222943107695892
Energy: 0.8030069885442639
Energy: 0.7222943107701396
Energy: 0.8030069885453648
Energy: 0.7222943107706901
Energy: 0.8030069885453648
Energy: 0.7405563833368697
Energy: 0.9733231243309681
Energy: 0.7405563833374201
Energy: 0.9733231243221617
Energy: 0.7405563833374201
Energy: 0.9733231243210608
Energy: 0.7347256671833057
Energy: 0.9878520516892974
Energy: 0.7347256671827552
Energy: 0.9878520516931502
Energy: 0.7347256671794529
Energy: 0.9878520516937006
Energy: 0.7815191034708611
Energy: 1.0132235632245434
Energy: 0.7815191034736132
Energy: 1.0132235632245434
Energy: 0.7815191034725124
Energy: 1.0132235632272957
Energy: 0.7922215243934742
Energy: 0.769557526475013
Energy: 0.7922215243918229
Energy: 0.7695575264728113
Energy: 0.7922215243857684
Energy: 0.7695575264733616
Energy: 0.7768495852562655
Energy: 0.8450321668530709
Energy: 0.7768454099287843
Energy: 0.8450321668459158
Energy: 0.7768495852573664
Energy: 0.8450321668459158
Energy: 0.7353709449371003
Energy: 1.3190187034240661
Energy: 0.73537094493655
Energy: 1.3190187034229652
Energy: 0.7353709449409532
Energy: 1.3190187034207634
Energy: 0.775859675923698
Energy: 0.7252109374282535
Energy: 0.7758596759231475
Energy: 0.725210937451871
Energy: 0.7758596759247989
Energy: 0.7252109373792669
Energy: 0.920206014414433
Energy: 0.7685920753218942
Energy: 0.920013915211451
Energy: 0.7685920753246462
Energy: 0.9202060144177354
Energy: 0.7685920753246462
Energy: 1.2477189513674876
Energy: 0.8221315446696151
Energy: 1.24791037191064
Energy: 0.822131544666863
Energy: 1.2477189513647355
Energy: 0.8221315446674134
Energy: 0.754253410796944
Energy: 1.3170356186677932
Energy: 0.7542534107870366
Energy: 1.3170356186606378
Energy: 0.7542534107936415
Energy: 1.3170356186606378
Energy: 0.8448587848463449
Energy: 0.8186028525181799
Energy: 0.7335512728671874
Energy: 0.8186028525187304
Energy: 0.8448587848430426
Energy: 0.8186028525203816
Energy: 0.7962710041258084
Energy: 0.8825689825622344
Energy: 0.7962710041296612
Energy: 0.8825689825622344
Energy: 0.7962710041296612
Energy: 0.8825689825853517
Energy: 1.036856474424128
Energy: 0.9696822378232237
Energy: 1.036856474429632
Energy: 0.9696822378276271
Energy: 1.0368564744290816
Energy: 0.9696822378276271
Energy: 0.7482434103638967
Energy: 0.7705703110159351
Energy: 0.7482434103616951
Energy: 0.7705703110153845
Energy: 0.7482434103594935
Energy: 0.7705703110148343
Energy: 0.7754317300522952
Energy: 0.8580566784271023
Energy: 0.7751448423146664
Energy: 0.8580566784226992
Energy: 0.7754317300555975
Energy: 0.8580566784249007
Energy: 0.7833058886129363
Energy: 1.0951060916785214
Energy: 0.7833058886118355
Energy: 1.0951060916752187
Energy: 0.7833058886145876
Energy: 1.0951060916757691
Energy: 0.8027268464685556
Energy: 0.7843459180594656
Energy: 0.8027268464696565
Energy: 0.7843459180545119
Energy: 0.8027268464652533
Energy: 0.7843459180550623
Energy: 0.8931064644134064
Energy: 0.7704372919237844
Energy: 0.893235535788074
Energy: 0.770437291925986
Energy: 0.8931064644106542
Energy: 0.7704372919265364
Energy: 0.714359917117181
Energy: 0.8484152673007854
Energy: 0.7143599171155298
Energy: 0.8484152672980335
Energy: 0.7143599171188322
Energy: 0.8484152672980335
Energy: 0.7348184455814656
Energy: 1.2435048335684273
Energy: 0.7348184455798141
Energy: 1.243504833565125
Energy: 0.7348184455798141
Energy: 1.2435048335645746
Energy: 0.8848107613440813
Energy: 0.7622622728936185
Energy: 0.8848107613418796
Energy: 0.7622622728903159
Energy: 0.8848107613418796
Energy: 0.7622622728908663
Energy: 0.7884829707553589
Energy: 1.009911049196677
Energy: 0.788482970760863
Energy: 1.0099110491944756
Energy: 0.7884829707597621
Energy: 1.0099110491944756
Energy: 0.8148318968444345
Energy: 0.7954651577982731
Energy: 0.814831896844985
Energy: 0.7954651577917182
Energy: 0.814831896843884
Energy: 0.7954651577911679
Energy: 0.7828155900089864
Energy: 0.961544642785152
Energy: 0.7828208577106933
Energy: 0.9615446427823998
Energy: 0.7828155900117384
Energy: 0.9615446427823998

minimum gb energy = 0.7143599171155298 eV
minimum distance =  2.373019265275 Angstroms
sigma value = 33


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

Energy: 0.7611990936769023
Energy: 0.7488213758686102
Energy: 0.7611990936742336
Energy: 0.7488213758720517
Energy: 0.7611990936745847
Energy: 0.7488213758686102
Energy: 0.8659737631500001
Energy: 0.7691619310137852
Energy: 0.8659737631500001
Energy: 0.7691619310137852
Energy: 0.8659737631469097
Energy: 0.7691619310142066
Energy: 0.7940947795772889
Energy: 0.8380813753833395
Energy: 0.7940947795757438
Energy: 0.838081375382567
Energy: 0.7940947795803791
Energy: 0.8380813753845335
Energy: 0.8552945188454137
Energy: 0.7413770503398778
Energy: 0.8552945188407783
Energy: 0.7413770503398778
Energy: 0.8552945188152835
Energy: 0.7413770503406504
Energy: 0.7551244376564825
Energy: 0.8598315310807102
Energy: 0.7551244376538137
Energy: 0.8598315307664156
Energy: 0.7551244376526196
Energy: 0.8598315310139182
Energy: 1.2741634193767093
Energy: 0.7679230217717984
Energy: 1.2741634193747429
Energy: 0.7679230217717984
Energy: 1.2741634193743916
Energy: 0.7679230217713771
Energy: 0.7892866146328493
Energy: 0.8276483579175522
Energy: 0.7892866146277926
Energy: 0.8276483579171308
Energy: 0.789286614628214
Energy: 0.827648357916007
Energy: 0.7922814182307805
Energy: 0.8450966181408914
Energy: 0.7922814182361885
Energy: 0.8450966181412426
Energy: 0.7922814182338707
Energy: 0.8450966181412426
Energy: 0.8956414391478147
Energy: 0.7797815511321223
Energy: 0.8956414391431794
Energy: 0.7797815511359852
Energy: 0.895641439146691
Energy: 0.7797815511293833
Energy: 1.280050919462247
Energy: 0.7907907590021696
Energy: 1.2800509194633707
Energy: 0.7907907590018184
Energy: 1.2800509194633707
Energy: 0.7907907590018184
Energy: 0.7852753360601373
Energy: 0.7834971853340851
Energy: 0.7852753360613313
Energy: 0.7834971853402657
Energy: 0.7852753360609097
Energy: 0.7834971853390716
Energy: 1.7069684239887617
Energy: 0.7435217248390991
Energy: 1.706968423986444
Energy: 0.7435217248398718
Energy: 1.7069684239848988
Energy: 0.7435217248402931
Energy: 0.7796762535696568
Energy: 0.8975043076601102
Energy: 0.779676253571553
Energy: 0.8975043076577925
Energy: 0.7796762535700079
Energy: 0.8975043076693809
Energy: 0.8379558592008992
Energy: 0.789275243246324
Energy: 0.837955859202093
Energy: 0.789275243246324
Energy: 0.8379558591974576
Energy: 0.7892752432494143
Energy: 0.8306922077577619
Energy: 0.7879315624717961
Energy: 0.8306922077593071
Energy: 0.7879315624717961
Energy: 0.8306922077600796
Energy: 0.7879315624717961
Energy: 0.7698704547442349
Energy: 1.2749541958032233
Energy: 0.7698704547453585
Energy: 1.27495419580519
Energy: 0.7698704547434623
Energy: 1.2749541958032233
Energy: 1.302967721470841
Energy: 0.7506462755560572
Energy: 1.302967721476249
Energy: 0.7506462755557061
Energy: 1.3029677214750552
Energy: 0.7506462755557061
Energy: 0.7372971582835108
Energy: 0.7828876869371403
Energy: 0.7372971582838621
Energy: 0.7828876869367187
Energy: 0.7372971582815443
Energy: 0.7828876869374914
Energy: 0.8410116155244878
Energy: 0.7928243579032024
Energy: 0.8410116155306683
Energy: 0.7928243579024299
Energy: 0.8410116155298957
Energy: 0.7928243579016574
Energy: 1.2957549038390537
Energy: 0.7773211572181191
Energy: 1.2957549038356124
Energy: 0.7773211572208581
Energy: 1.2957549038387026
Energy: 0.7773211572108147
Energy: 0.7499495769273005
Energy: 0.7616663448719264
Energy: 0.749949576928073
Energy: 0.7616663448715751
Energy: 0.7499495769284944
Energy: 0.7616663448719264
Energy: 0.7644525367467232
Energy: 0.79982083159314
Energy: 0.7644525367459507
Energy: 0.7998208315923674
Energy: 0.7644525367455294
Energy: 0.7998208315923674
Energy: 0.8292120328319044
Energy: 0.7557948251552968
Energy: 0.8292120328345732
Energy: 0.7557948251664639
Energy: 0.8292120328314828
Energy: 0.755794825158387
Energy: 0.7441344299712506
Energy: 0.8440804953373215
Energy: 0.744134429970478
Energy: 0.8440804953388668
Energy: 0.7441344299692841
Energy: 0.8440804953411142
Energy: 0.8608874340926801
Energy: 0.7510264151232725
Energy: 0.8608874340973155
Energy: 0.7510264151236238
Energy: 0.8608874340976667
Energy: 0.751026415121306
Energy: 0.7629441708055187
Energy: 0.8333906102564375
Energy: 0.76294417080594
Energy: 0.8333906102872699
Energy: 0.7629441708062913
Energy: 0.8333906102753303
Energy: 0.7968788059885179
Energy: 0.7920622988920902
Energy: 0.7968788059869727
Energy: 0.7920622988924415
Energy: 0.7968788059819861
Energy: 0.7920622988920902
Energy: 0.754443396184644
Energy: 0.749583247165282
Energy: 0.7544433961835202
Energy: 0.7495832471657035
Energy: 0.754443396184644
Energy: 0.7495832471660546
Energy: 0.7813385235754919
Energy: 0.8972012225008007
Energy: 0.7813385235751408
Energy: 0.897201222501222
Energy: 0.7813385235735956
Energy: 0.8972012224992555
Energy: 0.7864918698942398
Energy: 0.8413965481179849
Energy: 0.7864918698942398
Energy: 0.8413965481280282
Energy: 0.7864918698957849
Energy: 0.8413965481203025
Energy: 0.7830813621591147
Energy: 0.7344985920899415
Energy: 0.7830813621614325
Energy: 0.7344985920883964
Energy: 0.7830813621614325
Energy: 0.7344985920926104
Energy: 0.7438800052407605
Energy: 1.3054048558358997
Energy: 0.7438800052404092
Energy: 1.305404855829719
Energy: 0.743880005241533
Energy: 1.3054048558343545
Energy: 1.2940203894537803
Energy: 0.7759901845402748
Energy: 1.2940203894468274
Energy: 0.7759901845383083
Energy: 1.2940203894526567
Energy: 0.7759901845398535
Energy: 0.7853257112201016
Energy: 0.8321912731758242
Energy: 0.7853257112182054
Energy: 0.8321912731770181
Energy: 0.7853257112189779
Energy: 0.8321912731765966
Energy: 0.7863702644660034
Energy: 0.8362354671892829
Energy: 0.786370264462562
Energy: 0.8362354671892829
Energy: 0.7863702644641072
Energy: 0.8362354671892829
Energy: 1.295012580573081
Energy: 0.7758036557726213
Energy: 1.2950125805676729
Energy: 0.7758036557722702
Energy: 1.2950125805684454
Energy: 0.7758036557718488
Energy: 0.7491488797726576
Energy: 1.305281079207567
Energy: 0.7491488797738517
Energy: 1.305281079207567
Energy: 0.7491488797657748
Energy: 1.3052810792044767
Energy: 0.783114924404506
Energy: 0.7356383892768876
Energy: 0.7831149244025395
Energy: 0.7356383892772388
Energy: 0.7831149244025395
Energy: 0.7356383892756936
Energy: 0.7865895309428768
Energy: 0.8414854068328612
Energy: 0.7865895309436495
Energy: 0.8414854060312866
Energy: 0.7865895309428768
Energy: 0.8414854063250733
Energy: 0.780795076606586
Energy: 0.8973205862953867
Energy: 0.7807950766073587
Energy: 0.8973205862861161
Energy: 0.7807950766073587
Energy: 0.8973205862868885
Energy: 0.7567832131925699
Energy: 0.7492914934965925
Energy: 0.7567832131921485
Energy: 0.7492914934969436
Energy: 0.7567832131929211
Energy: 0.7492914934965925
Energy: 0.7970870806412665
Energy: 0.7918339044323653
Energy: 0.7970870806408453
Energy: 0.7918339044323653
Energy: 0.7970870806397213
Energy: 0.7918339044327165
Energy: 0.7630395765034194
Energy: 0.8331275554457843
Energy: 0.763039576502998
Energy: 0.8331275554720518
Energy: 0.7630395765026469
Energy: 0.8331275554623594
Energy: 0.8602951814119184
Energy: 0.7507122200471235
Energy: 0.8602951814150086
Energy: 0.7507122200471235
Energy: 0.8602951814235068
Energy: 0.7507122200475449
Energy: 0.7481989467269106
Energy: 0.8437479501924672
Energy: 0.7481989467276832
Energy: 0.8437479501847416
Energy: 0.7481989467257869
Energy: 0.8437479501816514
Energy: 0.8300416763983522
Energy: 0.7554566097391833
Energy: 0.8300416763991246
Energy: 0.7554566097472601
Energy: 0.8300416764003187
Energy: 0.7554566097419223
Energy: 0.7653020393374151
Energy: 0.7994125028908678
Energy: 0.7653020393378367
Energy: 0.7994125028928343
Energy: 0.765302039337064
Energy: 0.7994125028912893

minimum gb energy = 0.7344985920883964 eV
minimum distance =  2.38168692507911 Angstroms
sigma value = 67


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

Energy: 0.8597855719827927
Energy: 0.8735953397447715
Energy: 0.859785571582812
Energy: 0.8735953397421897
Energy: 0.8597855724214397
Energy: 0.8735953397447715
Energy: 0.8140827098117303
Energy: 0.8064118704257766
Energy: 0.8140827098143119
Energy: 0.8064118704257766
Energy: 0.8140827098117303
Energy: 0.806411870423195
Energy: 0.9089662582762035
Energy: 0.9726296929423716
Energy: 0.9089662582736218
Energy: 0.9726296929423716
Energy: 0.9089662582762035
Energy: 0.9726296929423716
Energy: 0.813376115491427
Energy: 0.8050158809145667
Energy: 0.8133761154940089
Energy: 0.8050158809171483
Energy: 0.813376115491427
Energy: 0.8050158809171483
Energy: 0.8597855713325087
Energy: 0.8735953397447715
Energy: 0.859785570808667
Energy: 0.8735953397473532
Energy: 0.8597855715621587
Energy: 0.8735953397447715
Energy: 0.8140827098117303
Energy: 0.8064118704283583
Energy: 0.8140827098117303
Energy: 0.8064118704257766
Energy: 0.8140827098117303
Energy: 0.8064118704257766
Energy: 0.9089662582762035
Energy: 0.9726296929423716
Energy: 0.9089662582762035
Energy: 0.9726296929423716
Energy: 0.9089662582762035
Energy: 0.9726296929423716

minimum gb energy = 0.8050158809145667 eV
minimum distance =  2.38593321273036 Angstroms
sigma value = 3


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

Energy: 1.1167714678378629
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Energy: 1.1676420897540534
Energy: 1.058911363842255
Energy: 1.1676420888480337
Energy: 1.0587758904748918
Energy: 1.1676420946000838
Energy: 1.146333813252352
Energy: 1.0860387482021272
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Energy: 1.2147264958941122
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Energy: 1.2147264958941122
Energy: 1.0914992753054509
Energy: 1.2147264958941122
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Energy: 1.0977269302455395
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Energy: 1.0505950212026487
Energy: 1.1243796112791242
Energy: 1.0505950212026487
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Energy: 1.0505950211991357
Energy: 1.1243796112720978
Energy: 1.1694330893180511
Energy: 1.0022269650552238
Energy: 1.1694330893215645
Energy: 1.0022269650517104
Energy: 1.1694330893321037
Energy: 1.0022269650517104
Energy: 1.1851908208557234
Energy: 1.2112071732353273
Energy: 1.185189995713873
Energy: 1.2112071732283012
Energy: 1.1851908208486968
Energy: 1.2112071732283012
Energy: 1.0998974405099586
Energy: 1.1029900345492034
Energy: 1.0998974405099586
Energy: 1.1029900345456904
Energy: 1.0998974404853665
Energy: 1.1029900345456904
Energy: 1.058544768183499
Energy: 1.1447424206870411
Energy: 1.058544768183499
Energy: 1.1447424206765013
Energy: 1.058544768183499
Energy: 1.1447424206729884
Energy: 1.0848348082900752
Energy: 1.0875382324413065
Energy: 1.0848348082935884
Energy: 1.087538232430767
Energy: 1.0848348082900752
Energy: 1.087538232430767
Energy: 1.1064334932321724
Energy: 1.090186648699265
Energy: 1.1064329566515487
Energy: 1.0901866486958156
Energy: 1.1064334932110933
Energy: 1.0901866486958156

minimum gb energy = 0.9886943113072247 eV
minimum distance =  2.36792075661018 Angstroms
sigma value = 81


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

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Energy: 1.0336305069339111
Energy: 1.241453869652791
Energy: 1.0336305068838083
Energy: 1.0574542782389098
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Energy: 1.1578764957188852
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Energy: 1.1578764957150276
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Energy: 1.1578764957212961
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Energy: 1.0098358277685138
Energy: 1.039552639195523
Energy: 1.0098358277632098
Energy: 1.0395526391964873
Energy: 1.0098358277636919
Energy: 1.039552639195523
Energy: 1.0375746050984167
Energy: 0.9259161594912468
Energy: 1.03757460510131
Energy: 0.925916159491729
Energy: 1.0375746051022743
Energy: 0.9259161594922111
Energy: 1.0667150190296701
Energy: 1.0162310564402202
Energy: 1.06673846578099
Energy: 1.0162310564431132
Energy: 1.0667150190238839
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Energy: 1.1534633933272778
Energy: 0.9994742416832508
Energy: 1.1534633933263132
Energy: 0.9994742416880726
Energy: 1.1534633933239027
Energy: 0.9994742416885547
Energy: 1.150743894514365
Energy: 1.155532545570422
Energy: 1.1507438944526898
Energy: 1.1555325455641536
Energy: 1.150743894545707
Energy: 1.1555325455631893
Energy: 0.9287036180170942
Energy: 1.0472824206776727
Energy: 0.928703618016612
Energy: 1.04728242068153
Energy: 0.9287036180170942
Energy: 1.04728242068153
Energy: 0.9236280072959309
Energy: 1.0042478580420737
Energy: 0.9236280072935199
Energy: 1.0042478580396628
Energy: 0.9236280072954488
Energy: 1.0042478580396628
Energy: 0.9298320221577411
Energy: 0.9207694599713617
Energy: 0.9298320221587054
Energy: 0.9207694599781123
Energy: 0.9298320221558124
Energy: 0.92076945997763
Energy: 1.2327349974414854
Energy: 1.2195439162498394
Energy: 1.2327150551093509
Energy: 1.2195439162522503
Energy: 1.2327349974419675
Energy: 1.21954391625659
Energy: 1.1599578431965618
Energy: 1.2318101732957656
Energy: 1.159957843197044
Energy: 1.2318101732996232
Energy: 1.1599578431883648
Energy: 1.2318101733015518
Energy: 1.0667355953312456
Energy: 1.0603574035782546
Energy: 1.0667355953341386
Energy: 1.060357403579701
Energy: 1.0667355953384348
Energy: 1.060357403579701
Energy: 1.0072724244600009
Energy: 0.9316030890236463
Energy: 1.0072724244585547
Energy: 0.9316030890217176
Energy: 1.0072724244609654
Energy: 0.9316030890212356

minimum gb energy = 0.9207694599713617 eV
minimum distance =  2.4047236787883 Angstroms
sigma value = 43


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

Energy: 1.1623328927989154
Energy: 0.9362039410651959
Energy: 1.1623328927989154
Energy: 0.9362039410651959
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Energy: 0.9729042073606045
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Energy: 0.9729042073588278
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Energy: 0.9729042073594201
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Energy: 1.095104569624026
Energy: 1.1478763830353285
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Energy: 1.1478763830382896
Energy: 1.0951045696258026
Energy: 1.1478763830376975
Energy: 1.0899919540456502
Energy: 0.9356858180666264
Energy: 1.089991889896055
Energy: 0.9356858180672187
Energy: 1.089991596773079
Energy: 0.9356858180666264
Energy: 1.1778337024782966
Energy: 0.990818147679631
Energy: 1.1778337024782966
Energy: 0.9908181476802232
Energy: 1.1778337024782966
Energy: 0.9908181476802232
Energy: 1.1775925946195323
Energy: 1.0457076689255207
Energy: 1.17759259461894
Energy: 1.0457076689255207
Energy: 1.1775925946195323
Energy: 1.0457076689255207
Energy: 1.1149278045353572
Energy: 0.935210989223555
Energy: 1.1149275520745945
Energy: 0.9352109892241472
Energy: 1.1149269408760316
Energy: 0.935210989223555
Energy: 1.0831449789843404
Energy: 1.0536207611490036
Energy: 1.0831449789837482
Energy: 1.0536207611490036
Energy: 1.0831449789819714
Energy: 1.0536207611490036
Energy: 1.1732250488861369
Energy: 1.1849347168688245
Energy: 1.1732250488867288
Energy: 1.1849347168688245
Energy: 1.1732250488849523
Energy: 1.1849347168688245
Energy: 0.9296463002018001
Energy: 1.0659883819817653
Energy: 0.9296463002018001
Energy: 1.0659883819817653
Energy: 0.9296463002018001
Energy: 1.0659883819817653
Energy: 1.1473778097864205
Energy: 1.1030664176593148
Energy: 1.147377809783459
Energy: 1.1030664176593148
Energy: 1.147377809789974
Energy: 1.1030664176593148
Energy: 0.955153024813468
Energy: 1.083279555278859
Energy: 0.9551530248116912
Energy: 1.083279555278859
Energy: 0.955153024813468
Energy: 1.083279555278859
Energy: 1.083375498062534
Energy: 1.1031593866946978
Energy: 1.0833754980607573
Energy: 1.1031593866946978
Energy: 1.0833754980613495
Energy: 1.1031593866941054
Energy: 1.0844496612405603
Energy: 0.9980959925299315
Energy: 1.084449661237599
Energy: 0.9980959925299315
Energy: 1.0844496612393755
Energy: 0.998095992530524
Energy: 1.2382018297142308
Energy: 1.0129322713971918
Energy: 1.2382018297142308
Energy: 1.0129322713971918
Energy: 1.2382018297136383
Energy: 1.0129322713965994
Energy: 0.9546512024363014
Energy: 1.094218147209576
Energy: 0.9546512024363014
Energy: 1.0942181472054302
Energy: 0.9546512024363014
Energy: 1.0942181472101684
Energy: 1.0268504247075836
Energy: 1.0831167839457279
Energy: 1.0268504247075836
Energy: 1.0831167839457279
Energy: 1.0268504247069914
Energy: 1.0831167839457279
Energy: 1.0868662456372296
Energy: 1.0155076806093624
Energy: 1.0868662456384142
Energy: 1.0155076806087702
Energy: 1.086866245637822
Energy: 1.0155076806087702

minimum gb energy = 0.9296463002018001 eV
minimum distance =  2.36657684543866 Angstroms
sigma value = 57


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

Energy: 1.048209519811571
Energy: 0.9837617581271035
Energy: 1.048209519816172
Energy: 0.9837617581301709
Energy: 1.048209519816939
Energy: 0.9837617581278704
Energy: 1.078047463424441
Energy: 0.9472261253927841
Energy: 1.078047463424441
Energy: 0.9472261253889498
Energy: 1.07804746341984
Energy: 0.9472261253950848
Energy: 1.0991253075846108
Energy: 1.107032891988383
Energy: 1.0991253075846108
Energy: 1.107032891988383
Energy: 1.0991253075853777
Energy: 1.1070328919929842
Energy: 1.2454406211763545
Energy: 1.0416347612275028
Energy: 1.2454406211824893
Energy: 1.0416347612566437
Energy: 1.2454406211924587
Energy: 1.041634761254343
Energy: 0.9647384212531406
Energy: 1.0367475517002507
Energy: 0.9647384212163657
Energy: 1.0367475516856803
Energy: 0.9647384212569748
Energy: 1.036747551715588
Energy: 1.0898063118503138
Energy: 1.0224329886162962
Energy: 1.0898063118526147
Energy: 1.0224329886162962
Energy: 1.0898063118503138
Energy: 1.0224329886162962
Energy: 1.109167763557553
Energy: 1.2016605513660619
Energy: 1.1091677635598538
Energy: 1.201660551365295
Energy: 1.1091677635598538
Energy: 1.2016605513660619
Energy: 0.9985136809559497
Energy: 0.9965588322022677
Energy: 0.9985136810134646
Energy: 0.9965588322030345
Energy: 0.9985136810119308
Energy: 0.9965588322022677
Energy: 1.03874653440715
Energy: 0.9479184170499414
Energy: 1.0387465342354765
Energy: 0.9479184170499414
Energy: 1.038746534302159
Energy: 0.9479184170491745
Energy: 0.9840557655875869
Energy: 1.074607596505026
Energy: 0.9840557655875869
Energy: 1.074607596504259
Energy: 0.98405576558682
Energy: 1.074607596504259
Energy: 1.1035531579057303
Energy: 1.0659054265405374
Energy: 1.1035531579049636
Energy: 1.0659054265413044
Energy: 1.1035531579034297
Energy: 1.0659054265397707
Energy: 1.051626860760426
Energy: 1.2273790599464771
Energy: 1.0516268608148387
Energy: 1.2273790599487775
Energy: 1.0516268609290669
Energy: 1.227379059951078
Energy: 1.0493643057866984
Energy: 0.9475425790614302
Energy: 1.0493643057912647
Energy: 0.9475425790591295
Energy: 1.0493643057889641
Energy: 0.9475425790606633
Energy: 1.2835467779452145
Energy: 0.9842435278091216
Energy: 1.2835467779444476
Energy: 0.9842435278083548
Energy: 1.2835467779459815
Energy: 0.9842435278083548
Energy: 1.092699878926173
Energy: 0.9515434714398066
Energy: 1.092699878925406
Energy: 0.9515434714413401
Energy: 1.0926998789238724
Energy: 0.9515434714382728
Energy: 1.0405319147251053
Energy: 1.009737312749976
Energy: 1.040532070108334
Energy: 1.009737312744608
Energy: 1.04053178594339
Energy: 1.009737312750743
Energy: 0.9580763687467739
Energy: 1.0788829478423967
Energy: 0.9580763687444734
Energy: 1.0788829478431636
Energy: 0.9580763687483077
Energy: 1.0788829478431636
Energy: 1.052954101645698
Energy: 1.1073307124638037
Energy: 1.0529541016433976
Energy: 1.1073307124630367
Energy: 1.0529541016433976
Energy: 1.1073307124638037
Energy: 0.9586664403085056
Energy: 1.07859161097132
Energy: 0.9586664403115731
Energy: 1.07859161097132
Energy: 0.9586664403115731
Energy: 1.07859161097132
Energy: 1.0405301301623897
Energy: 1.009968177840873
Energy: 1.040530130208367
Energy: 1.009968177840873
Energy: 1.0405301302214036
Energy: 1.009968177840106
Energy: 1.0931338287417915
Energy: 0.9515539605049678
Energy: 1.0931338287433254
Energy: 0.9515539605065015
Energy: 1.0931338287448589
Energy: 0.9515539605057346
Energy: 1.0379615403114615
Energy: 1.0074796328516664
Energy: 1.0379615403137619
Energy: 1.0074796328493658
Energy: 1.0379615403137619
Energy: 1.0074796328401985
Energy: 1.0498482006709244
Energy: 0.9484295086737017
Energy: 1.0498482006716914
Energy: 0.9484295086729349
Energy: 1.0498482006647896
Energy: 0.9484295086729349
Energy: 1.0509660178975502
Energy: 1.2274178993948426
Energy: 1.0509660178906486
Energy: 1.2274178993933087
Energy: 1.0509660178891147
Energy: 1.2274178993956095

minimum gb energy = 0.9472261253889498 eV
minimum distance =  2.335505840411 Angstroms
sigma value = 17


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

Energy: 1.382777053972144
Energy: 0.9687885472080565
Energy: 1.382777053972144
Energy: 0.9687885472080565
Energy: 1.382777053972144
Energy: 0.9687885472080565
Energy: 0.9383008031034712
Energy: 0.9628350612199031
Energy: 0.9383008031045557
Energy: 0.9628350612199031
Energy: 0.9383008031034712
Energy: 0.9628350612177341
Energy: 1.0547774309559177
Energy: 1.004371713825865
Energy: 1.0547774309602556
Energy: 1.0043717138269497
Energy: 1.0547774309559177
Energy: 1.004371713825865
Energy: 0.8738395898109959
Energy: 1.1047028119528401
Energy: 0.8738395891020695
Energy: 1.1047028119517557
Energy: 0.8738395886684616
Energy: 1.1047028119528401
Energy: 1.0850199116811499
Energy: 1.0676335630260734
Energy: 1.0850199174807298
Energy: 1.0676335630249887
Energy: 1.0850198870107508
Energy: 1.0676335630239044
Energy: 1.0253924171447968
Energy: 1.0493394932548665
Energy: 1.0253924171447968
Energy: 1.049339493253782
Energy: 1.0253924171447968
Energy: 1.049339493253782
Energy: 1.0329127126193496
Energy: 0.9272229689067634
Energy: 1.0329127126182651
Energy: 0.9272229689067634
Energy: 1.0329127126204343
Energy: 0.9272229689067634
Energy: 0.8755202659744326
Energy: 1.0216782635811454
Energy: 0.8755202659722635
Energy: 1.0216782635811454
Energy: 0.875520265973348
Energy: 1.021678263580061
Energy: 1.0816297335633283
Energy: 0.9541711669770025
Energy: 1.0816297335665817
Energy: 0.9541711669813406
Energy: 1.0816297335687508
Energy: 0.9541711669824251
Energy: 0.9417843684589858
Energy: 0.9361901295550281
Energy: 0.9417843684589858
Energy: 0.9361901295550281
Energy: 0.9417843684589858
Energy: 0.9361901295550281
Energy: 0.9372742642821836
Energy: 1.08783453914509
Energy: 0.9372742642832681
Energy: 1.0878345391440054
Energy: 0.9372742642821836
Energy: 1.08783453914509
Energy: 0.9827048661181791
Energy: 0.9540066165612685
Energy: 0.9827048661290241
Energy: 0.9540066165591489
Energy: 0.9827048661257707
Energy: 0.9540066165580643
Energy: 0.9310831953111356
Energy: 1.051289637017433
Energy: 0.9310831953133046
Energy: 1.0512896370239402
Energy: 0.9310831953100511
Energy: 1.051289637017433
Energy: 0.9477393013807107
Energy: 1.1253465418245636
Energy: 0.9477393013807107
Energy: 1.1253465418245636
Energy: 0.9477393013807107
Energy: 1.1253465418245636
Energy: 1.022843942756699
Energy: 1.2472394769932897
Energy: 1.0228439427534455
Energy: 1.2472394769932897
Energy: 1.0228439427545304
Energy: 1.2472394769932897
Energy: 1.043676284196532
Energy: 1.055090464289296
Energy: 1.043676284196532
Energy: 1.055090464287127
Energy: 1.043676284197567
Energy: 1.0550904642838737
Energy: 0.945337405633741
Energy: 1.1257817636898055
Energy: 0.9453374056326566
Energy: 1.1257817636898055
Energy: 0.9453374056326566
Energy: 1.1257817636898055

minimum gb energy = 0.8738395886684616 eV
minimum distance =  2.36160950190696 Angstroms
sigma value = 17


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

Energy: 1.363713244536568
Energy: 0.9099080062876583
Energy: 1.3111973021047627
Energy: 0.9099080062964531
Energy: 1.3637132445449442
Energy: 0.9099080062960342
Energy: 1.04802045151629
Energy: 0.9281881689934832
Energy: 0.9859289306664357
Energy: 0.9281881689851073
Energy: 1.0480204515150335
Energy: 0.9281881689830132
Energy: 1.0736906951395484
Energy: 1.018854622054297
Energy: 0.9945651620066766
Energy: 1.0188546220555537
Energy: 1.0736906951428986
Energy: 1.0188546220559722
Energy: 1.1374660929555616
Energy: 1.0219899272981525
Energy: 1.1374749731782436
Energy: 1.0219899272981525
Energy: 1.137466092954305
Energy: 1.0219899273002466
Energy: 0.9884965733884599
Energy: 1.021982933149698
Energy: 0.9884965733859472
Energy: 1.0219829331492791
Energy: 0.9884965733842719
Energy: 1.021982933149698
Energy: 0.9996315100761787
Energy: 0.8356934058787626
Energy: 0.9995061017875152
Energy: 0.8356934058775063
Energy: 0.9996315100786914
Energy: 0.8356934058779251
Energy: 0.9822822665523719
Energy: 0.9898519621299372
Energy: 0.9822822665460899
Energy: 0.9898519621337064
Energy: 0.982282266548184
Energy: 0.9898519621341253
Energy: 1.1881777077653437
Energy: 1.1089623464572804
Energy: 1.188177707762412
Energy: 1.1089623464593745
Energy: 1.188177707760318
Energy: 1.1089623464593745
Energy: 0.9374266959145935
Energy: 1.0023224361471774
Energy: 0.9374266959154309
Energy: 1.0023224361534593
Energy: 0.9374266959183626
Energy: 1.0023224361534593
Energy: 0.9825646239504666
Energy: 0.8762240419105413
Energy: 0.9825646239441845
Energy: 0.876224041915567
Energy: 0.9825646239533982
Energy: 0.8762240419151481
Energy: 1.1340051368046768
Energy: 1.1195440687187816
Energy: 1.1340051368055144
Energy: 1.1195440687212563
Energy: 1.1340051368042579
Energy: 1.1195440687208373
Energy: 1.070168562767785
Energy: 1.1524023077406336
Energy: 1.0701685627606656
Energy: 1.1524023077406336
Energy: 1.0701685627652724
Energy: 1.1524023077410523
Energy: 1.018110336279429
Energy: 1.0298820452521322
Energy: 1.018110336277754
Energy: 1.029882045256739
Energy: 1.018110336269378
Energy: 1.0298820452571578
Energy: 0.8424710347796871
Energy: 1.0017016932377756
Energy: 0.8424710347838752
Energy: 1.0017016932352625
Energy: 0.8424710347847129
Energy: 1.0017016932356815
Energy: 1.0961641435941092
Energy: 1.156365596974809
Energy: 1.0967776993746987
Energy: 1.156365596980672
Energy: 1.0961641435920153
Energy: 1.1563655969815096
Energy: 0.9361383651864569
Energy: 0.992877341755744
Energy: 0.9364744992289871
Energy: 0.9928773417590945
Energy: 0.9361383651931577
Energy: 0.9928773417570005
Energy: 0.8412930634127728
Energy: 1.07447239340544
Energy: 0.8412930634123921
Energy: 1.0744723934041835
Energy: 0.8412930634148669
Energy: 1.0744723934041835
Energy: 1.0493195645086595
Energy: 1.144484592189881
Energy: 1.049319564509497
Energy: 1.1444845921865303
Energy: 1.0493195645069844
Energy: 1.1444845921861115
Energy: 0.9407774533309016
Energy: 0.9947161002716299
Energy: 0.9407774533246195
Energy: 0.9947161002724675
Energy: 0.9407774533237818
Energy: 0.9947161002724675
Energy: 0.8406473522503324
Energy: 0.9928865995536609
Energy: 0.8406473522494948
Energy: 0.9928865995628745
Energy: 0.8406473522453066
Energy: 0.9928865995620367
Energy: 1.0019696408515517
Energy: 0.9948617467925708
Energy: 1.0019696408473637
Energy: 0.994861746790058
Energy: 1.001969640844432
Energy: 0.9948617467896392
Energy: 0.9807091101964351
Energy: 1.1444047575012086
Energy: 0.9807091101897345
Energy: 1.144404757506653
Energy: 0.9807091101922472
Energy: 1.144404757506653
Energy: 0.8409982618262256
Energy: 1.0014626609758612
Energy: 0.8409982618262256
Energy: 1.0014626609699984
Energy: 0.840998261825388
Energy: 1.0014626609699984
Energy: 0.8921902037803819
Energy: 1.0737028135968234
Energy: 0.8921902037879205
Energy: 1.0737028136077122
Energy: 0.8921902037925272
Energy: 1.073702813606875
Energy: 1.1183180882259236
Energy: 1.156122470737621
Energy: 1.1183180882259236
Energy: 1.1561224707238007
Energy: 1.1183180882255048
Energy: 1.1561224707238007
Energy: 0.9309328922155378
Energy: 1.0278734247773165
Energy: 0.8424993470914653
Energy: 1.027873424777735
Energy: 0.9309328922071616
Energy: 1.0278734247773165
Energy: 1.0545700246562533
Energy: 0.999921979236793
Energy: 1.0084093086759787
Energy: 0.9999219792334809
Energy: 1.0545700246541594
Energy: 0.9999219792292928
Energy: 1.0890940291305096
Energy: 1.1526610408319016
Energy: 1.0101080922725547
Energy: 1.1526610408293887
Energy: 1.0890940291355353
Energy: 1.1526610408298075
Energy: 1.134347735167879
Energy: 1.1285951307950273
Energy: 1.1337894616317843
Energy: 1.1285951308029842
Energy: 1.1343477351708107
Energy: 1.1285951308025657
Energy: 0.9821743046458936
Energy: 0.9873478628218436
Energy: 0.9821743046442184
Energy: 0.987347862821006
Energy: 0.982174304640868
Energy: 0.9873478628205872
Energy: 0.9969044646959391
Energy: 1.0029518023869712
Energy: 0.9969044646930074
Energy: 1.0029518023907404
Energy: 0.9969044646900759
Energy: 1.0029518023911592
Energy: 1.1147366150521212
Energy: 1.1820018234109944
Energy: 1.1147366150542153
Energy: 1.1820018234047502
Energy: 1.1147366150546343
Energy: 1.1820018234047502
Energy: 1.0404622180899183
Energy: 0.929763959732713
Energy: 1.0404622180857304
Energy: 0.9297639597410889
Energy: 1.0404622180874055
Energy: 0.92976395974067
Energy: 1.0133325637824322
Energy: 0.846550471614965
Energy: 1.0133325637824322
Energy: 0.8465504716166402
Energy: 1.0133325637853634
Energy: 0.8465504716170591
Energy: 0.9878527467945085
Energy: 1.087441111836741
Energy: 0.9878527467982778
Energy: 1.0874411118354848
Energy: 0.9878527467986965
Energy: 1.0874411118379974
Energy: 1.1375302312364648
Energy: 1.0097007220734515
Energy: 1.1375302312314395
Energy: 1.0097007220705199
Energy: 1.1375302312259947
Energy: 1.0097007220709386
Energy: 1.0252505656106807
Energy: 0.9378603840666883
Energy: 1.025250565616544
Energy: 0.9378603840629189
Energy: 1.0252505656169628
Energy: 0.9378603840637567
Energy: 1.0001639347782667
Energy: 1.0366713330039716
Energy: 1.0001639347774292
Energy: 1.036671333006903
Energy: 1.0001639347749163
Energy: 1.036671333006903
Energy: 1.3111973021030874
Energy: 0.9099080062847646
Energy: 1.311197302104344
Energy: 0.9099080062981282
Energy: 1.311197302103506
Energy: 0.9099080062981282
Energy: 0.9859289306572221
Energy: 0.9388203559292916
Energy: 0.9859289306639228
Energy: 0.9388203559359926
Energy: 0.9859289306622476
Energy: 0.9388203559355737
Energy: 1.0345706683611682
Energy: 1.0187828574284907
Energy: 1.034373927248429
Energy: 1.0187828574280717
Energy: 1.0345706683406852
Energy: 1.0187828574280717
Energy: 1.1370192278261073
Energy: 1.0219899272939645
Energy: 1.1370183041482158
Energy: 1.0219899272935458
Energy: 1.137019227826526
Energy: 1.0219899272960586
Energy: 0.9884965733842719
Energy: 1.0220829791738617
Energy: 0.9884965733825968
Energy: 1.0220829791805626
Energy: 0.9884965733813403
Energy: 1.0220829791805626

minimum gb energy = 0.8356934058775063 eV
minimum distance =  2.26838860660974 Angstroms
sigma value = 57


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

Energy: 1.2349371734120833
Energy: 0.7934403404059783
Energy: 1.2349371734120833
Energy: 0.7934403404127973
Energy: 1.2349371734120833
Energy: 0.7934403404087059
Energy: 0.8805658424077396
Energy: 0.8988025508893298
Energy: 0.8805658424077396
Energy: 0.898802550888648
Energy: 0.8805658424084214
Energy: 0.8988025508893298
Energy: 0.8844961783126954
Energy: 0.897069135194232
Energy: 0.8844961783133773
Energy: 0.897069135194232
Energy: 0.8844961783133773
Energy: 0.897069135194232
Energy: 0.9994239882629088
Energy: 0.891332133065321
Energy: 0.999423988261545
Energy: 0.891332133065321
Energy: 0.999423988261545
Energy: 0.891332133065321
Energy: 0.8832019209808691
Energy: 0.8825125677580704
Energy: 0.8832019209822329
Energy: 0.8825125677587522
Energy: 0.8832019209829148
Energy: 0.8825125677580704
Energy: 0.8826045197344804
Energy: 0.786172782415161
Energy: 0.8826045197358442
Energy: 0.7861727824158429
Energy: 0.8826045197358442
Energy: 0.7861727824137971
Energy: 0.9931265088137238
Energy: 0.8632099878366667
Energy: 0.9931265088144057
Energy: 0.8632099878366667
Energy: 0.9931265088150877
Energy: 0.8632099878353029
Energy: 1.0362819985598095
Energy: 1.0011402487168308
Energy: 1.036281998561173
Energy: 1.0011402487168308
Energy: 1.036281998561855
Energy: 1.0011402487168308
Energy: 0.8275451146585181
Energy: 0.8873640990056988
Energy: 0.8275451146571544
Energy: 0.887364099004335
Energy: 0.8275451146564724
Energy: 0.8873640990036531
Energy: 0.8916244726048641
Energy: 0.8336426754019389
Energy: 0.8916244726041823
Energy: 0.8336426754019389
Energy: 0.8916244726048641
Energy: 0.8336426754019389
Energy: 0.9907092935150145
Energy: 1.004891113201778
Energy: 0.9907092935150145
Energy: 1.0048911132004144
Energy: 0.9907092935177421
Energy: 1.004891113201096
Energy: 0.8569421961902074
Energy: 0.9899046030501182
Energy: 0.8569421961895255
Energy: 0.9899046030480725
Energy: 0.8569421961902074
Energy: 0.9899046030487544
Energy: 0.8932029651181318
Energy: 0.8915571046119928
Energy: 0.8932029651174499
Energy: 0.8915571046126748
Energy: 0.8932029651188136
Energy: 0.8915571046119928
Energy: 0.9947015992334048
Energy: 0.9501554533388783
Energy: 0.9947015992327229
Energy: 0.9501554533381965
Energy: 0.9947015992340867
Energy: 0.9501554533388783
Energy: 0.9179720486344994
Energy: 1.0150075777961272
Energy: 0.9179720486344994
Energy: 1.0150075777947631
Energy: 0.9179720486338173
Energy: 1.015007577795445
Energy: 0.895371657352482
Energy: 0.8870605052957464
Energy: 0.895371657352482
Energy: 0.8870605052964283
Energy: 0.895371657352482
Energy: 0.8870605052957464
Energy: 0.9154806033241734
Energy: 0.8947107163951714
Energy: 0.9154806033241734
Energy: 0.8947107163944895
Energy: 0.9154806033241734
Energy: 0.8947107163944895
Energy: 0.9893142567262995
Energy: 1.017307910569539
Energy: 0.9893142567262995
Energy: 1.0173079105709033
Energy: 0.9893142567262995
Energy: 1.0173079105709033
Energy: 0.8966753711645822
Energy: 0.9056241059842006
Energy: 0.8966753711639003
Energy: 0.9056241059855643
Energy: 0.8966753711652641
Energy: 0.9056241059848824
Energy: 0.8901476844114528
Energy: 0.8927236557102947
Energy: 0.8901476844114528
Energy: 0.8927236557109764
Energy: 0.8901476844107709
Energy: 0.8927236557102947
Energy: 0.8782854509819327
Energy: 1.0039981541308756
Energy: 0.878285450979887
Energy: 1.0039981541288299
Energy: 0.8782854509805689
Energy: 1.0039981541315575
Energy: 0.775975170682537
Energy: 0.9085149770006449
Energy: 0.775975170682537
Energy: 0.9085149770006449
Energy: 0.7759751706839009
Energy: 0.908514976999963
Energy: 0.8088708393666393
Energy: 0.8615926793017002
Energy: 0.8088708393632296
Energy: 0.8615926793010183
Energy: 0.8088708393652754
Energy: 0.8615926793023821
Energy: 0.8456321508109803
Energy: 0.9073658185380941
Energy: 0.8456321508096165
Energy: 0.9073658185380941
Energy: 0.845632150812344
Energy: 0.9073658185346846
Energy: 0.9568913669656798
Energy: 1.0067674267868219
Energy: 0.9568913669649978
Energy: 1.0067674267868219
Energy: 0.9568913669636339
Energy: 1.0067674267875035
Energy: 0.8937870716950617
Energy: 0.8608654446559372
Energy: 0.8937870716936978
Energy: 0.8608654446559372
Energy: 0.8937870716943798
Energy: 0.8608654446552552
Energy: 0.7723395515621287
Energy: 0.9053715734394284
Energy: 0.7723395515614467
Energy: 0.9053715734380645
Energy: 0.7723395515621287
Energy: 0.9053715734380645

minimum gb energy = 0.7723395515614467 eV
minimum distance =  2.31578302067465 Angstroms
sigma value = 43


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

Energy: 0.8766362172381161
Energy: 0.6607889160911543
Energy: 0.8766362172425877
Energy: 0.6607889160911543
Energy: 0.8766362172386128
Energy: 0.6607889160911543
Energy: 0.7797517012088937
Energy: 0.7569107779961461
Energy: 0.7797517012074032
Energy: 0.756910777996643
Energy: 0.7797517012069064
Energy: 0.756910777996643
Energy: 0.732855646619045
Energy: 0.761442160342363
Energy: 0.7328556466210322
Energy: 0.761442160342363
Energy: 0.7328556466185481
Energy: 0.761442160342363
Energy: 0.8377175921213657
Energy: 0.7323859651914049
Energy: 0.8377175921188813
Energy: 0.732385965190908
Energy: 0.8377175921183846
Energy: 0.7323859651914049
Energy: 0.7336714020228381
Energy: 0.7359247508177477
Energy: 0.7336714020218444
Energy: 0.7359247508172507
Energy: 0.7336714020228381
Energy: 0.7359247508182444
Energy: 0.7139975309020801
Energy: 0.7428137257924559
Energy: 0.7139975309025769
Energy: 0.7428137257924559
Energy: 0.7139975309020801
Energy: 0.7428137257924559
Energy: 0.8228976427453474
Energy: 0.7139667344788165
Energy: 0.8228976427443536
Energy: 0.7139667344788165
Energy: 0.8228976427453474
Energy: 0.7139667344788165
Energy: 0.7815117770830158
Energy: 0.8101165243238636
Energy: 0.7815117770830158
Energy: 0.8101165243238636
Energy: 0.7815117770820221
Energy: 0.8101165243233668
Energy: 0.700028890946578
Energy: 0.7355416719816942
Energy: 0.700028890946578
Energy: 0.7355416719807004
Energy: 0.7000288909475718
Energy: 0.7355416719816942
Energy: 0.7382087548469737
Energy: 0.691890090779906
Energy: 0.7382087548489611
Energy: 0.691890090779906
Energy: 0.7382087548484642
Energy: 0.691890090779906
Energy: 0.8184314571836433
Energy: 0.8180878885039313
Energy: 0.818431457184637
Energy: 0.8180878885039313
Energy: 0.818431457184637
Energy: 0.8180878885039313
Energy: 0.6686656731187649
Energy: 0.7349663572286907
Energy: 0.6686656731182681
Energy: 0.7349663572291876
Energy: 0.6686656731182681
Energy: 0.7349663572296844
Energy: 0.7386209762356417
Energy: 0.6683629691032192
Energy: 0.7386209762351449
Energy: 0.6683629691032192
Energy: 0.7386209762356417
Energy: 0.6683629691032192
Energy: 0.8123713073951334
Energy: 0.8223040283565087
Energy: 0.8123713073941398
Energy: 0.8223040283565087
Energy: 0.8123713073941398
Energy: 0.8223040283570057
Energy: 0.687908412273203
Energy: 0.7344080912977938
Energy: 0.6879084122727062
Energy: 0.7344080912977938
Energy: 0.687908412273203
Energy: 0.734408091297297
Energy: 0.7555276904452176
Energy: 0.7124317034125602
Energy: 0.7555276904452176
Energy: 0.7124317034105729
Energy: 0.7555276904447208
Energy: 0.7124317034110698
Energy: 0.8196070434489267
Energy: 0.8205688021616473
Energy: 0.8196070434484297
Energy: 0.8205688021616473
Energy: 0.8196070434484297
Energy: 0.8205688021606535
Energy: 0.7058530535172198
Energy: 0.822997975676963
Energy: 0.705853053516723
Energy: 0.822997975676466
Energy: 0.7058530535157294
Energy: 0.8229979756774598
Energy: 0.7415883893228039
Energy: 0.7301240187640623
Energy: 0.7415883893223071
Energy: 0.7301240187640623
Energy: 0.7415883893233007
Energy: 0.7301240187635655
Energy: 0.8347432135819617
Energy: 0.7304476760446689
Energy: 0.8347432135804712
Energy: 0.7304476760446689
Energy: 0.8347432135814649
Energy: 0.7304476760446689
Energy: 0.7538877622231026
Energy: 0.8431931135838241
Energy: 0.7538877622226057
Energy: 0.8431931135838241
Energy: 0.7538877622226057
Energy: 0.8431931135828304
Energy: 0.7576625746199402
Energy: 0.7306758360220443
Energy: 0.7576625746234182
Energy: 0.7306758360220443
Energy: 0.7576625746189466
Energy: 0.7306758360215475
Energy: 0.8531151227736992
Energy: 0.730033660015151
Energy: 0.8531151227707182
Energy: 0.730033660015151
Energy: 0.8531151227722088
Energy: 0.730033660015151
Energy: 0.8052489003268658
Energy: 0.8387252082967167
Energy: 0.8052489003263689
Energy: 0.838725208298704
Energy: 0.8052489003268658
Energy: 0.8387252083026788
Energy: 0.7399101066126108
Energy: 0.7270741086452543
Energy: 0.7399101066126108
Energy: 0.7270741086457512
Energy: 0.7399101066116172
Energy: 0.727074108646248
Energy: 0.8245053620939337
Energy: 0.7238219813067123
Energy: 0.8245053620944304
Energy: 0.7238219813067123
Energy: 0.8245053620929399
Energy: 0.7238219813067123
Energy: 0.7340193260159668
Energy: 1.0187765873351284
Energy: 0.7340193260149732
Energy: 1.0187765873356252
Energy: 0.73401932601547
Energy: 1.0187765873356252
Energy: 0.7214126865396162
Energy: 0.7234816503483074
Energy: 0.721412686540113
Energy: 0.7234816503473136
Energy: 0.721412686540113
Energy: 0.7234816503473136
Energy: 0.7348181745761246
Energy: 0.6991009210583916
Energy: 0.7348181745756278
Energy: 0.6991009210583916
Energy: 0.734818174575131
Energy: 0.6991009210583916
Energy: 0.6826250907789196
Energy: 0.8854676061557044
Energy: 0.6826250907784228
Energy: 0.8854676061557044
Energy: 0.6826250907809069
Energy: 0.8854676061552075
Energy: 0.7176202465144729
Energy: 0.7228017909219732
Energy: 0.7176202465154665
Energy: 0.7228017909269415
Energy: 0.7176202465149697
Energy: 0.7228017909249542
Energy: 0.7333993695063472
Energy: 0.6884653565327982
Energy: 0.7333993695058504
Energy: 0.6884653565327982
Energy: 0.7333993695073409
Energy: 0.6884653565327982
Energy: 0.6647726116716692
Energy: 0.7263268299747595
Energy: 0.6647726116746502
Energy: 0.7263268299752563
Energy: 0.6647726116706756
Energy: 0.7263268299747595
Energy: 0.8173176604811796
Energy: 0.8913718187165037
Energy: 0.8173176604841608
Energy: 0.8913718187165037
Energy: 0.8173176604826702
Energy: 0.8913718187160067
Energy: 0.7324567387313221
Energy: 0.667661156727728
Energy: 0.7324567387313221
Energy: 0.6676611567227596
Energy: 0.7324567387318192
Energy: 0.6676611567247469
Energy: 0.6217051648838967
Energy: 0.7253690941373543
Energy: 0.6217051648833999
Energy: 0.7253690941363605
Energy: 0.6217051648843936
Energy: 0.7253690941368575

minimum gb energy = 0.6217051648833999 eV
minimum distance =  2.30642001683316 Angstroms
sigma value = 81


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

Energy: 0.03902474056357053
Energy: 0.06475392341602504
Energy: 0.03902474056357053
Energy: 0.06475392341785054
Energy: 0.03902474056357053
Energy: 0.06475392341419953
Energy: 0.5288788834228705
Energy: 0.04213717524095321
Energy: 0.5288788834228705
Energy: 0.0421371752391277
Energy: 0.5288788834228705
Energy: 0.04213717524642972
Energy: 0.5289239684898343
Energy: 0.04233103938449341
Energy: 0.5289239684916598
Energy: 0.04233103942282906
Energy: 0.5289239684898343
Energy: 0.042331039386318915
Energy: 0.03902474056357053
Energy: 0.06475392341419953
Energy: 0.03902474056174503
Energy: 0.06475392341602504
Energy: 0.03902474056357053
Energy: 0.06475392341602504
Energy: 0.5288788834228705
Energy: 0.04213717526103378
Energy: 0.5288788834228705
Energy: 0.04213717524095321
Energy: 0.5288788834228705
Energy: 0.04213717525920827
Energy: 0.5289239684898343
Energy: 0.04233103921845524
Energy: 0.5289239684916598
Energy: 0.04233103920385119
Energy: 0.5289239684916598
Energy: 0.042331039174643065
Energy: 0.03902474056357053
Energy: 0.06475392341602504
Energy: 0.03902474056357053
Energy: 0.06475392341419953
Energy: 0.03902474056357053
Energy: 0.06475392341602504
Energy: 0.5288788834228705
Energy: 0.04213717522634915
Energy: 0.5288788834210449
Energy: 0.04213717524095321
Energy: 0.5288788834228705
Energy: 0.042137175230000164
Energy: 0.5289239684898343
Energy: 0.042331038988524326
Energy: 0.5289239684916598
Energy: 0.042331039001302875
Energy: 0.5289239684916598
Energy: 0.04233103901773244
Energy: 0.03902474056357053
Energy: 0.06475392341419953
Energy: 0.03902474056357053
Energy: 0.06475392341237401
Energy: 0.03902474056357053
Energy: 0.06475392341602504

minimum gb energy = 0.03902474056174503 eV
minimum distance =  2.4914914707672 Angstroms
sigma value = 3


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

Energy: 0.6066854241562766
Energy: 0.5912120602024795
Energy: 0.6066854241557303
Energy: 0.5912120602019332
Energy: 0.6066854241562766
Energy: 0.5912120602024795
Energy: 0.5579794471894535
Energy: 0.5635191347852548
Energy: 0.5579794471899997
Energy: 0.5635191347852548
Energy: 0.5579794471943701
Energy: 0.5635191347847085
Energy: 0.5836468918745256
Energy: 0.5644341552620266
Energy: 0.5836468918739793
Energy: 0.5644341552620266
Energy: 0.5836468918750719
Energy: 0.5644341552620266
Energy: 0.6307998706817606
Energy: 0.6491021338885457
Energy: 0.6307998706817606
Energy: 0.6491021338890919
Energy: 0.6307998706823069
Energy: 0.6491021338890919
Energy: 0.5481997148994345
Energy: 0.5638024823998362
Energy: 0.5481997148988883
Energy: 0.5638024823998362
Energy: 0.5481997148994345
Energy: 0.5638024823998362
Energy: 0.5804843020663512
Energy: 0.5629987292733648
Energy: 0.5804843020658048
Energy: 0.5629987292733648
Energy: 0.5804843020663512
Energy: 0.5629987292722722
Energy: 0.5685165040529759
Energy: 0.639973574539124
Energy: 0.5685165040529759
Energy: 0.6399735745396703
Energy: 0.5685165040529759
Energy: 0.639973574539124
Energy: 0.5504936634356143
Energy: 0.5645888493039128
Energy: 0.5504936634356143
Energy: 0.5645888493039128
Energy: 0.550493663435068
Energy: 0.5645888493044592
Energy: 0.5899779249290846
Energy: 0.5732191626703815
Energy: 0.5899779249290846
Energy: 0.5732191626698353
Energy: 0.589977924929631
Energy: 0.5732191626709278
Energy: 0.5669110111049157
Energy: 0.6003481239780495
Energy: 0.5669110111043695
Energy: 0.6003481239785958
Energy: 0.5669110111049157
Energy: 0.6003481239775033
Energy: 0.6205624972602428
Energy: 0.5646714727789828
Energy: 0.6205624972602428
Energy: 0.5646714727789828
Energy: 0.6205624972602428
Energy: 0.5646714727789828
Energy: 0.6060943755188535
Energy: 0.614797205257301
Energy: 0.6060943755210387
Energy: 0.614797205257301
Energy: 0.6060943755204924
Energy: 0.6147972052567546
Energy: 0.5630476434793247
Energy: 0.5655527116439951
Energy: 0.5630476434793247
Energy: 0.5655527116445415
Energy: 0.5630476434787784
Energy: 0.5655527116439951
Energy: 0.640922661379088
Energy: 0.5847153892423278
Energy: 0.6409226613785417
Energy: 0.5847153892412351
Energy: 0.6409226613785417
Energy: 0.5847153892423278
Energy: 0.566405098672126
Energy: 0.5950443275215935
Energy: 0.5664050986715796
Energy: 0.5950443275221398
Energy: 0.5664050986704872
Energy: 0.5950443275215935
Energy: 0.5616539656081027
Energy: 0.5516223743003408
Energy: 0.5616539656075564
Energy: 0.5516223743003408
Energy: 0.5616539656075564
Energy: 0.5516223743003408
Energy: 0.5830175340014471
Energy: 0.5874412714308784
Energy: 0.5830175339998083
Energy: 0.5874412714303321
Energy: 0.5830175340009007
Energy: 0.5874412714303321
Energy: 0.5614342626999114
Energy: 0.5680467786392872
Energy: 0.5614342626999114
Energy: 0.5680467786403799
Energy: 0.5614342626999114
Energy: 0.5680467786414725
Energy: 0.5608814590070361
Energy: 0.5562800282105923
Energy: 0.5608814590070361
Energy: 0.556280028210046
Energy: 0.5608814590070361
Energy: 0.5562800282094996
Energy: 0.571440473227257
Energy: 0.6425606150252448
Energy: 0.5714404732278033
Energy: 0.6425606150246984
Energy: 0.5714404732267107
Energy: 0.642560615025791
Energy: 0.5929091632546
Energy: 0.5509381409013723
Energy: 0.5929091632535074
Energy: 0.5509381408953631
Energy: 0.5929091632540536
Energy: 0.5509381409013723
Energy: 0.5723118702917616
Energy: 0.5519512491378088
Energy: 0.572311870292854
Energy: 0.5519512491372625
Energy: 0.572311870292854
Energy: 0.5519512491378088
Energy: 0.6231801238041852
Energy: 0.5664500000596121
Energy: 0.6231801238041852
Energy: 0.5664500000596121
Energy: 0.6231801238047315
Energy: 0.5664500000590658
Energy: 0.5767820163879824
Energy: 0.546263090882997
Energy: 0.5767820163879824
Energy: 0.5462630908824507
Energy: 0.5767820163879824
Energy: 0.546263090882997
Energy: 0.5628147709441973
Energy: 0.5803108229381104
Energy: 0.5628147709436511
Energy: 0.5803108229381104
Energy: 0.5628147709436511
Energy: 0.5803108229381104
Energy: 0.5748871826263711
Energy: 0.5644608700898152
Energy: 0.5748871826263711
Energy: 0.5644608700903614
Energy: 0.5748871826269174
Energy: 0.5644608700909077
Energy: 0.6796516292282346
Energy: 0.5792811204309599
Energy: 0.6796516292293273
Energy: 0.5792811204325988
Energy: 0.679651629228781
Energy: 0.5792811204309599
Energy: 0.566904817539388
Energy: 0.6004057550146144
Energy: 0.5669048175388418
Energy: 0.6004057550129754
Energy: 0.566904817539388
Energy: 0.6004057550129754
Energy: 0.5812540039852017
Energy: 0.563610002603765
Energy: 0.5812540039852017
Energy: 0.563610002603765
Energy: 0.5812540039846553
Energy: 0.5636100026032188
Energy: 0.6662845110630129
Energy: 0.6160637802963234
Energy: 0.6662845110619203
Energy: 0.6160637802963234
Energy: 0.6662845110597352
Energy: 0.6160637802968696
Energy: 0.5873185454214817
Energy: 0.589341724999666
Energy: 0.5873185454214817
Energy: 0.589341724999666
Energy: 0.587318545422028
Energy: 0.5893417249991196
Energy: 0.6024425941750076
Energy: 0.5628213209666866
Energy: 0.6024425941750076
Energy: 0.5628213209661403
Energy: 0.6024425941750076
Energy: 0.5628213209661403
Energy: 0.5930146685585047
Energy: 0.5918638883798522
Energy: 0.5930146685574121
Energy: 0.5918638883803984
Energy: 0.5930146685590509
Energy: 0.5918638883803984

minimum gb energy = 0.5462630908824507 eV
minimum distance =  2.3904400262547 Angstroms
sigma value = 67


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

Energy: 0.7618677451127243
Energy: 0.86014638486055
Energy: 0.7618677451142811
Energy: 0.86014638486055
Energy: 0.7618677451142811
Energy: 0.86014638486055
Energy: 0.7295626980706078
Energy: 0.7371076992358111
Energy: 0.7295626980682728
Energy: 0.7371076992358111
Energy: 0.729562698069051
Energy: 0.7371076992358111
Energy: 0.7793663815681021
Energy: 0.7358487737101427
Energy: 0.7793663815688805
Energy: 0.7358487737093643
Energy: 0.7793663815704372
Energy: 0.7358487737101427
Energy: 0.7527452587718234
Energy: 0.8608523207769839
Energy: 0.7527452587726019
Energy: 0.8608523207762055
Energy: 0.7527452587718234
Energy: 0.8608523207769839
Energy: 0.7486054894367103
Energy: 0.7512684656474385
Energy: 0.7486054894382672
Energy: 0.751268465648217
Energy: 0.7486054894374888
Energy: 0.7512684656474385
Energy: 0.7773465192933716
Energy: 0.7521242861085434
Energy: 0.7773465192933716
Energy: 0.7521242861085434
Energy: 0.7773465192925931
Energy: 0.7521242861085434
Energy: 0.745145640650717
Energy: 0.8401994635505248
Energy: 0.7451456406592795
Energy: 0.8401994635497465
Energy: 0.7451456406569442
Energy: 0.8401994635505248
Energy: 0.8066268798619458
Energy: 0.7589431236823808
Energy: 0.8066268798619458
Energy: 0.7589431236823808
Energy: 0.8066268798627241
Energy: 0.7589431236816023
Energy: 0.7993397981298783
Energy: 0.8105213832182623
Energy: 0.7993397981298783
Energy: 0.8105213832182623
Energy: 0.7993397981291
Energy: 0.810521383217484
Energy: 0.739380030415386
Energy: 0.7156956074976716
Energy: 0.739380030415386
Energy: 0.7156956074992284
Energy: 0.7393800304161643
Energy: 0.7156956074984501
Energy: 0.8273193665223629
Energy: 0.7572652114079679
Energy: 0.8273193665231414
Energy: 0.7572652114079679
Energy: 0.8273193665231414
Energy: 0.7572652114079679
Energy: 0.739058802776257
Energy: 0.7643716585680435
Energy: 0.7390588027770354
Energy: 0.7643716585680435
Energy: 0.7390588027770354
Energy: 0.7643716585688219
Energy: 0.738045907678532
Energy: 0.7403714359774599
Energy: 0.7380459076777535
Energy: 0.7403714359782384
Energy: 0.7380459076777535
Energy: 0.7403714359790168
Energy: 0.7615596174620152
Energy: 0.7536436787706882
Energy: 0.7615596174612368
Energy: 0.7536436787714665
Energy: 0.7615596174612368
Energy: 0.7536436787699098
Energy: 0.7730612283648707
Energy: 0.7244478548805365
Energy: 0.7730612283656491
Energy: 0.7244478548797582
Energy: 0.7730612283656491
Energy: 0.7244478548797582
Energy: 0.7483703048554317
Energy: 0.7394301064488078
Energy: 0.7483703048546532
Energy: 0.7394301064495862
Energy: 0.7483703048554317
Energy: 0.7394301064488078
Energy: 0.7774693885744747
Energy: 0.7404075694422402
Energy: 0.7774693885744747
Energy: 0.7404075694414618
Energy: 0.7774693885744747
Energy: 0.7404075694422402
Energy: 0.7337936854895549
Energy: 0.7210402382815495
Energy: 0.7337936854879981
Energy: 0.7210402382823279
Energy: 0.7337936854879981
Energy: 0.7210402382823279
Energy: 0.746147908365071
Energy: 0.779124807357704
Energy: 0.7461479083658495
Energy: 0.7791248073569255
Energy: 0.746147908365071
Energy: 0.779124807356147
Energy: 0.7388346649537405
Energy: 0.7368544758285541
Energy: 0.738834664958411
Energy: 0.7368544758285541
Energy: 0.7388346649591894
Energy: 0.7368544758270681
Energy: 0.782198963925475
Energy: 0.787880343520428
Energy: 0.7821989639246967
Energy: 0.7878803435212064
Energy: 0.7821989639246967
Energy: 0.7878803435212064
Energy: 0.7631688182058762
Energy: 0.8125795718090413
Energy: 0.7631688182050979
Energy: 0.8125795718090413
Energy: 0.7631688182058762
Energy: 0.8125795718090413
Energy: 0.7705883265825486
Energy: 0.7361416607878858
Energy: 0.7705883265848839
Energy: 0.7361416607847723
Energy: 0.7705883265833271
Energy: 0.7361416607855507

minimum gb energy = 0.7156956074976716 eV
minimum distance =  2.39396549521679 Angstroms
sigma value = 33


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

Energy: 0.8799117958098139
Energy: 0.9756199284470654
Energy: 0.8799117958093202
Energy: 0.9756199284465716
Energy: 0.8799117958083326
Energy: 0.9756199284475592
Energy: 0.8541192362896455
Energy: 0.8654184195916156
Energy: 0.8541192362901392
Energy: 0.865418419590628
Energy: 0.8541192362906329
Energy: 0.8654184195926032
Energy: 0.8787986539114924
Energy: 0.8637552388444169
Energy: 0.8787986539090235
Energy: 0.8637552388439229
Energy: 0.8787986539109987
Energy: 0.8637552388454044
Energy: 0.873325303829824
Energy: 0.954911315346409
Energy: 0.873325303829824
Energy: 0.954911315346409
Energy: 0.8733253038308114
Energy: 0.954911315346409
Energy: 0.8979179628361958
Energy: 0.8753480592351149
Energy: 0.8979179628352081
Energy: 0.8753480592351149
Energy: 0.8979179628361958
Energy: 0.8753480592351149
Energy: 0.9478430462713547
Energy: 0.928445173590624
Energy: 0.9478430462703672
Energy: 0.928445173590624
Energy: 0.9478430462708609
Energy: 0.9284451735911177
Energy: 0.8703892001925602
Energy: 0.8891030914346768
Energy: 0.8703892001940414
Energy: 0.8891030914351705
Energy: 0.8703892001935477
Energy: 0.8891030914336892
Energy: 0.9613157956292459
Energy: 0.8939134158785776
Energy: 0.9613157956292459
Energy: 0.8939134158785776
Energy: 0.9613157956277646
Energy: 0.8939134158790715
Energy: 0.8960695181277136
Energy: 0.9257360451203711
Energy: 0.8960695181272198
Energy: 0.9257360451203711
Energy: 0.8960695181282076
Energy: 0.9257360451203711
Energy: 0.8647768860533758
Energy: 1.01236001058261
Energy: 0.8647768860548571
Energy: 1.0123600105811288
Energy: 0.8647768860543634
Energy: 1.0123600105821162
Energy: 0.9481204669493132
Energy: 0.8775377596738696
Energy: 0.9481204669498069
Energy: 0.8775377596743633
Energy: 0.9481204669498069
Energy: 0.8775377596738696
Energy: 0.9103379229256376
Energy: 0.8693675867687221
Energy: 0.9103379229261315
Energy: 0.8693675867697097
Energy: 0.9103379229261315
Energy: 0.869367586769216
Energy: 0.866782589047163
Energy: 0.8575127555208606
Energy: 0.8667825890476567
Energy: 0.8575127555203668
Energy: 0.866782589047163
Energy: 0.8575127555203668
Energy: 0.8734768937374495
Energy: 0.8655797195918559
Energy: 0.8734768937379435
Energy: 0.8655797195903744
Energy: 0.8734768937374495
Energy: 0.8655797195898804
Energy: 0.8600968366834818
Energy: 0.9288275497167702
Energy: 0.8600968366844695
Energy: 0.9288275497167702
Energy: 0.8600968366844695
Energy: 0.9288275497162763
Energy: 0.873590199871988
Energy: 0.9129017909535979
Energy: 0.8735901998705067
Energy: 0.9129017909540916
Energy: 0.873590199871988
Energy: 0.9129017909535979
Energy: 0.9042385847591488
Energy: 0.8643720405805855
Energy: 0.904238584758655
Energy: 0.8643720405820667
Energy: 0.9042385847601365
Energy: 0.8643720405795978
Energy: 0.910917630357399
Energy: 0.943599079424904
Energy: 0.9109176303598681
Energy: 0.9435990794234226
Energy: 0.910917630357399
Energy: 0.9435990794239163
Energy: 0.908218331068875
Energy: 0.9430436474976835
Energy: 0.9082183310693687
Energy: 0.9430436474971896
Energy: 0.9082183310698626
Energy: 0.9430436474976835
Energy: 0.9056571359788538
Energy: 0.8653241079623862
Energy: 0.9056571359778662
Energy: 0.8653241079633739
Energy: 0.9056571359798414
Energy: 0.8653241079613986
Energy: 0.8698875889036546
Energy: 0.9097823348873595
Energy: 0.8698875889036546
Energy: 0.9097823348873595
Energy: 0.8698875889041483
Energy: 0.9097823348878532
Energy: 0.859339631290743
Energy: 0.87422500800721
Energy: 0.8593396312912368
Energy: 0.87422500800721
Energy: 0.8593396312887679
Energy: 0.87422500800721
Energy: 0.9337503685453706
Energy: 0.8775009955131979
Energy: 0.9337503685458646
Energy: 0.8775009955136917
Energy: 0.9337503685453706
Energy: 0.8775009955131979
Energy: 0.8644028443212352
Energy: 0.8673758683755407
Energy: 0.8644028443207414
Energy: 0.8673758683765284
Energy: 0.8644028443227165
Energy: 0.8673758683765284
Energy: 0.8703127613728399
Energy: 0.8659543518377045
Energy: 0.8703127613718523
Energy: 0.8659543518381982
Energy: 0.8703127613738275
Energy: 0.8659543518381982
Energy: 1.039712589419043
Energy: 0.8890192900591924
Energy: 1.039712589419043
Energy: 0.8890192900586987
Energy: 1.0397125894185493
Energy: 0.8890192900586987
Energy: 0.8702493749045656
Energy: 0.87589093915949
Energy: 0.8702493749035779
Energy: 0.87589093915949
Energy: 0.8702493749025904
Energy: 0.87589093915949
Energy: 0.8768845377326564
Energy: 0.9556396917890414
Energy: 0.876884537731175
Energy: 0.9556396917900291
Energy: 0.8768845377326564
Energy: 0.9556396917900291
Energy: 0.997047026383568
Energy: 0.8757801227252627
Energy: 0.9970470263821316
Energy: 0.8757801227262504
Energy: 0.9970470263830743
Energy: 0.8757801227257566
Energy: 0.8719750760178511
Energy: 0.890117283694957
Energy: 0.8719750760183449
Energy: 0.8901172836944632
Energy: 0.8719750760168634
Energy: 0.890117283694957
Energy: 0.9433061030500219
Energy: 0.9413466622509118
Energy: 0.9433061030490344
Energy: 0.9413466622514056
Energy: 0.9433061030515034
Energy: 0.9413466622523933
Energy: 0.898995323228221
Energy: 0.8655320314198575
Energy: 0.8989953232287147
Energy: 0.8655320314213388
Energy: 0.8989953232292084
Energy: 0.8655320314208451
Energy: 0.8696252946598569
Energy: 0.9870062262515441
Energy: 0.8696252946603507
Energy: 0.9870062262515441
Energy: 0.8696252946598569
Energy: 0.9870062262510504
Energy: 0.8570277218001887
Energy: 0.865675955751815
Energy: 0.857027721799695
Energy: 0.8656759557513212
Energy: 0.857027721799695
Energy: 0.8656759557513212
Energy: 0.8686011444759959
Energy: 0.8634615818159478
Energy: 0.8686011444764896
Energy: 0.8634615818159478
Energy: 0.8686011444769834
Energy: 0.8634615818159478
Energy: 0.8674946474149021
Energy: 0.8631265403908016
Energy: 0.867494647412433
Energy: 0.8631265403903078
Energy: 0.8674946474153958
Energy: 0.8631265403898141
Energy: 0.8535100151174821
Energy: 0.8568013891753161
Energy: 0.8535100151179761
Energy: 0.8568013891807479
Energy: 0.8535100151179761
Energy: 0.8568013891758098

minimum gb energy = 0.8535100151174821 eV
minimum distance =  2.37851201637936 Angstroms
sigma value = 41


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

Energy: 1.07622042191802
Energy: 1.0898517707313229
Energy: 1.07622042191802
Energy: 1.0898517707313229
Energy: 1.07622042191802
Energy: 1.0898517707313229
Energy: 1.0845265515823217
Energy: 1.0797185763237749
Energy: 1.0845265515823217
Energy: 1.0797185763237749
Energy: 1.0845265515823217
Energy: 1.0797185763237749
Energy: 1.1401182882844163
Energy: 1.0736105361829986
Energy: 1.1401182882844163
Energy: 1.0736105361829986
Energy: 1.1401182882844163
Energy: 1.0736105361829986
Energy: 1.0654517976341114
Energy: 1.1529375800549881
Energy: 1.0654517976354594
Energy: 1.1529375800549881
Energy: 1.0654517976354594
Energy: 1.1529375800549881
Energy: 1.1222712182576622
Energy: 1.0898698589548255
Energy: 1.1222712182549657
Energy: 1.0898698589548255
Energy: 1.1222712182549657
Energy: 1.0898698589548255
Energy: 1.174124731154039
Energy: 1.1762282525349657
Energy: 1.174124731154039
Energy: 1.1762282525336172
Energy: 1.1741247311513427
Energy: 1.1762282525336172
Energy: 1.0606250592183806
Energy: 1.0877712800958026
Energy: 1.0606250592197288
Energy: 1.0877712800958026
Energy: 1.0606250592197288
Energy: 1.0877712800958026
Energy: 1.0991570304376361
Energy: 1.0802987322037054
Energy: 1.0991570304376361
Energy: 1.0802987322037054
Energy: 1.0991570304389844
Energy: 1.0802987322037054
Energy: 1.0867343908541625
Energy: 1.081617228759185
Energy: 1.0867343908541625
Energy: 1.0816172287618813
Energy: 1.0867343908541625
Energy: 1.0816172287605332
Energy: 1.0659754844654852
Energy: 1.1072512551515163
Energy: 1.0659754844654852
Energy: 1.1072512551515163
Energy: 1.0659754844654852
Energy: 1.1072512551515163
Energy: 1.0836334225292088
Energy: 1.0739036701141165
Energy: 1.0836334225292088
Energy: 1.0739036701141165
Energy: 1.0836334225292088
Energy: 1.0739036701141165
Energy: 1.0971600566666901
Energy: 1.0793843956998332
Energy: 1.0971600566653419
Energy: 1.0793843956998332
Energy: 1.0971600566680382
Energy: 1.0793843957011815
Energy: 1.0916165564902838
Energy: 1.14979246088723
Energy: 1.0916165564902838
Energy: 1.149792460885882
Energy: 1.091616556491632
Energy: 1.149792460885882
Energy: 1.1221234808679657
Energy: 1.080008868721199
Energy: 1.1221234808679657
Energy: 1.080008868721199
Energy: 1.1221234808693137
Energy: 1.080008868721199

minimum gb energy = 1.0606250592183806 eV
minimum distance =  2.36856940463621 Angstroms
sigma value = 11


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

Energy: 1.2984373060802024
Energy: 1.3124319894981833
Energy: 1.2984373060807948
Energy: 1.3124319894987757
Energy: 1.2984373060807948
Energy: 1.3124319894981833
Energy: 1.2922065678644168
Energy: 1.2639614612682315
Energy: 1.2922065678644168
Energy: 1.2639614612682315
Energy: 1.2922065678644168
Energy: 1.2639614612682315
Energy: 1.3697381043276726
Energy: 1.2637829522522381
Energy: 1.3697381043270804
Energy: 1.2637829522522381
Energy: 1.3697381043270804
Energy: 1.2637829522522381
Energy: 1.2587953755941643
Energy: 1.3384736456726134
Energy: 1.258795375593572
Energy: 1.3384736456726134
Energy: 1.258795375593572
Energy: 1.338473645672021
Energy: 1.3488936211390277
Energy: 1.2918961243862204
Energy: 1.3488936211402123
Energy: 1.2918961243862204
Energy: 1.3488936211390277
Energy: 1.2918961243862204
Energy: 1.2659471153009767
Energy: 1.3179843098858581
Energy: 1.2659471153009767
Energy: 1.3179843098858581
Energy: 1.2659471153009767
Energy: 1.3179843098858581
Energy: 1.2780660731637865
Energy: 1.3314031801142945
Energy: 1.2780660731632212
Energy: 1.3314031801137023
Energy: 1.2780660731632212
Energy: 1.3314031801137023
Energy: 1.3035116366279367
Energy: 1.258739663069186
Energy: 1.3035116366279367
Energy: 1.2587396630685936
Energy: 1.3035116366279367
Energy: 1.258739663069186
Energy: 1.3035702613423474
Energy: 1.2586829953524736
Energy: 1.3035702613417552
Energy: 1.2586829953524736
Energy: 1.3035702613423474
Energy: 1.2586829953524736
Energy: 1.2710663963917161
Energy: 1.3694565615435137
Energy: 1.2710663963917161
Energy: 1.3694565615435137
Energy: 1.2710663963917161
Energy: 1.3694565615435137
Energy: 1.3237224342616467
Energy: 1.2910112719820919
Energy: 1.3237224342622391
Energy: 1.2910112719820919
Energy: 1.3237224342622391
Energy: 1.2910112719820919
Energy: 1.3226584733180033
Energy: 1.336653749840293
Energy: 1.3226584733168187
Energy: 1.336653749840293
Energy: 1.322658473317411
Energy: 1.3366537498397006
Energy: 1.2581575925698631
Energy: 1.317986628547776
Energy: 1.2581575925704556
Energy: 1.3179866285483683
Energy: 1.2581575925698631
Energy: 1.3179866285483683
Energy: 1.3640721078504823
Energy: 1.2588133139525413
Energy: 1.3640721078510747
Energy: 1.258813313951949
Energy: 1.36407210784989
Energy: 1.2588133139525413
Energy: 1.3035966883160195
Energy: 1.2731004697450377
Energy: 1.3035966883154275
Energy: 1.2731004697444455
Energy: 1.3035966883160195
Energy: 1.2731004697450377
Energy: 1.279832684118358
Energy: 1.3367875463366432
Energy: 1.279832684118358
Energy: 1.3367875463366432
Energy: 1.279832684118358
Energy: 1.336787546336051
Energy: 1.3138496646929718
Energy: 1.2795072397465084
Energy: 1.3138496646941564
Energy: 1.279507239745916
Energy: 1.3138496646935642
Energy: 1.279507239745916
Energy: 1.3033203522066932
Energy: 1.3228420369333629
Energy: 1.3033203522066932
Energy: 1.3228420369333629
Energy: 1.3033203522055088
Energy: 1.3228420369333629
Energy: 1.2714660405151623
Energy: 1.31705041446001
Energy: 1.2714660405151623
Energy: 1.31705041446001
Energy: 1.2714660405151623
Energy: 1.31705041446001
Energy: 1.319886481574912
Energy: 1.2898723337010372
Energy: 1.319886481574912
Energy: 1.2898723337010372
Energy: 1.3198864815743196
Energy: 1.2898723337010372
Energy: 1.2515978929321159
Energy: 1.3044594614258074
Energy: 1.251597892932708
Energy: 1.3044594614258074
Energy: 1.2515978929321159
Energy: 1.304459461425215
Energy: 1.2663630415933815
Energy: 1.3301465265446775
Energy: 1.2663630415933815
Energy: 1.3301465265446775
Energy: 1.266363041592197
Energy: 1.3301465265446775
Energy: 1.3337731222497158
Energy: 1.2639579948563857
Energy: 1.3337731222497158
Energy: 1.2639579948563857
Energy: 1.3337731222503082
Energy: 1.263957994856978
Energy: 1.3256915073657713
Energy: 1.264219605266671
Energy: 1.3256915073657713
Energy: 1.264219605266671
Energy: 1.3256915073657713
Energy: 1.264219605266671
Energy: 1.2730595114611796
Energy: 1.3414580805785168
Energy: 1.2730595114605874
Energy: 1.3414580805785168
Energy: 1.2730595114605874
Energy: 1.3414580805785168
Energy: 1.335967070631517
Energy: 1.289848625030136
Energy: 1.335967070631517
Energy: 1.289848625030136
Energy: 1.335967070631517
Energy: 1.289848625030136
Energy: 1.2652834074368096
Energy: 1.3568129745422255
Energy: 1.2652834074362171
Energy: 1.356812974541041
Energy: 1.2652834074368096
Energy: 1.356812974541041
Energy: 1.258631810019595
Energy: 1.2965687439557263
Energy: 1.258631810019595
Energy: 1.2965687439557263
Energy: 1.258631810019595
Energy: 1.2965687439551339
Energy: 1.3074694073242286
Energy: 1.2790521857814183
Energy: 1.3074694073242286
Energy: 1.2790521857814183
Energy: 1.3074694073236361
Energy: 1.279052185780826
Energy: 1.2819781568971194
Energy: 1.259533453261759
Energy: 1.2819781568965274
Energy: 1.259533453261167
Energy: 1.2819781568965274
Energy: 1.259533453261759
Energy: 1.27117120430539
Energy: 1.3600671905242228
Energy: 1.27117120430539
Energy: 1.3600671905254071
Energy: 1.2711712043047978
Energy: 1.360067190522446

minimum gb energy = 1.2515978929321159 eV
minimum distance =  2.35054749062984 Angstroms
sigma value = 57


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

Energy: 1.3182823587347028
Energy: 1.4372628333001478
Energy: 1.318282358733649
Energy: 1.4372628333001478
Energy: 1.318282358733649
Energy: 1.4372628333001478
Energy: 1.3182642752913976
Energy: 1.3800895951692733
Energy: 1.31826427528929
Energy: 1.3800895951692733
Energy: 1.3182642752924516
Energy: 1.3800895951692733
Energy: 1.436978447241869
Energy: 1.3836111974366063
Energy: 1.4369784472429228
Energy: 1.3836111974366063
Energy: 1.436978447241869
Energy: 1.3836111974366063
Energy: 1.3038590463587965
Energy: 1.4035271209265032
Energy: 1.3038590463587965
Energy: 1.4035271209265032
Energy: 1.3038590463577424
Energy: 1.4035271209265032
Energy: 1.437222822287758
Energy: 1.3836687800831164
Energy: 1.4372228222867043
Energy: 1.3836687800831164
Energy: 1.4372228222856502
Energy: 1.3836687800820626
Energy: 1.3182511649970916
Energy: 1.4299618076406704
Energy: 1.3182511649970916
Energy: 1.4299618076406704
Energy: 1.3182511649960376
Energy: 1.4299618076406704
Energy: 1.3182823587347028
Energy: 1.4372628333012019
Energy: 1.3182823587347028
Energy: 1.4372628333022557
Energy: 1.3182823587347028
Energy: 1.4372628333022557
Energy: 1.3182642752945597
Energy: 1.3800895951682193
Energy: 1.3182642752935056
Energy: 1.3800895951682193
Energy: 1.3182642752935056
Energy: 1.3800895951682193
Energy: 1.436978447238707
Energy: 1.383611197438714
Energy: 1.4369784472302753
Energy: 1.383611197438714
Energy: 1.4369784472323834
Energy: 1.383611197438714
Energy: 1.3038590463566884
Energy: 1.4614830537741514
Energy: 1.3038590463566884
Energy: 1.4614830537741514
Energy: 1.3038590463566884
Energy: 1.4614830537741514
Energy: 1.4372228222888122
Energy: 1.3836687800799548
Energy: 1.4372228222888122
Energy: 1.3836687800799548
Energy: 1.43722282229092
Energy: 1.3836687800799548
Energy: 1.3182511649960376
Energy: 1.4299618076406704
Energy: 1.3182511649970916
Energy: 1.4299618076396166
Energy: 1.3182511649960376
Energy: 1.4299618076406704
Energy: 1.3182823587347028
Energy: 1.4372628333012019
Energy: 1.3182823587347028
Energy: 1.4372628333012019
Energy: 1.3182823587347028
Energy: 1.4372628333012019
Energy: 1.3182642752913976
Energy: 1.3800895951682193
Energy: 1.3182642752882359
Energy: 1.3800895951682193
Energy: 1.3182642752871818
Energy: 1.3800895951692733
Energy: 1.436978447240815
Energy: 1.3836111974366063
Energy: 1.436978447240815
Energy: 1.3836111974366063
Energy: 1.436978447241869
Energy: 1.3836111974366063
Energy: 1.3038590463587965
Energy: 1.4614830537762593
Energy: 1.3038590463577424
Energy: 1.4614830537762593
Energy: 1.3038590463577424
Energy: 1.4614830537762593
Energy: 1.437222822287758
Energy: 1.3836687800831164
Energy: 1.437222822287758
Energy: 1.3836687800831164
Energy: 1.4372228222888122
Energy: 1.3836687800831164

minimum gb energy = 1.3038590463566884 eV
minimum distance =  2.37624075877455 Angstroms
sigma value = 9


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

Energy: 1.3763449735707496
Energy: 1.4182911175019155
Energy: 1.376344973569889
Energy: 1.4182911175010549
Energy: 1.3763449735707496
Energy: 1.4182911175010549
Energy: 1.393240222079623
Energy: 1.3964594824875922
Energy: 1.393240222079623
Energy: 1.3964594824875922
Energy: 1.393240222079623
Energy: 1.3964594824875922
Energy: 1.4151441823215996
Energy: 1.3782990058032754
Energy: 1.4151441823215996
Energy: 1.3782990058032754
Energy: 1.41514418232246
Energy: 1.378299005802415
Energy: 1.3724108542263513
Energy: 1.4957539335734733
Energy: 1.372410854225491
Energy: 1.4957539335726127
Energy: 1.3724108542263513
Energy: 1.4957539335734733
Energy: 1.4332695221498026
Energy: 1.4029221888972598
Energy: 1.433269522151524
Energy: 1.4029221888972598
Energy: 1.433269522150663
Energy: 1.4029221888972598
Energy: 1.459364731239504
Energy: 1.3734864726802598
Energy: 1.459364731239504
Energy: 1.3734864726793994
Energy: 1.459364731239504
Energy: 1.3734864726802598
Energy: 1.3718673349228019
Energy: 1.414488434744041
Energy: 1.3718673349228019
Energy: 1.4144884347449014
Energy: 1.3718673349228019
Energy: 1.4144884347449014
Energy: 1.4066378353723323
Energy: 1.393299859217518
Energy: 1.4066378353723323
Energy: 1.393299859217518
Energy: 1.4066378353731928
Energy: 1.393299859217518
Energy: 1.4634968812283886
Energy: 1.375501719959864
Energy: 1.4634968812283886
Energy: 1.375501719959864
Energy: 1.463496881229249
Energy: 1.375501719959864
Energy: 1.3721782585042293
Energy: 1.425569083505381
Energy: 1.37217825850509
Energy: 1.425569083505381
Energy: 1.3721782585042293
Energy: 1.4255690835062413
Energy: 1.4188540727775176
Energy: 1.3939672943804198
Energy: 1.4188540727766572
Energy: 1.3939672943804198
Energy: 1.4188540727783783
Energy: 1.3939672943804198
Energy: 1.4434529117922825
Energy: 1.3940882229854874
Energy: 1.4434529117914219
Energy: 1.394088222986348
Energy: 1.4434529117922825
Energy: 1.3940882229854874
Energy: 1.375838417835883
Energy: 1.4788700132793957
Energy: 1.375838417835883
Energy: 1.478870013281117
Energy: 1.375838417835883
Energy: 1.4788700132793957
Energy: 1.3987252337395966
Energy: 1.4179646502514287
Energy: 1.3987252337387361
Energy: 1.4179646502514287
Energy: 1.3987252337395966
Energy: 1.4179646502514287
Energy: 1.414934579861361
Energy: 1.3700060719517664
Energy: 1.4149345798605004
Energy: 1.3700060719526268
Energy: 1.41493457985964
Energy: 1.3700060719526268
Energy: 1.3869653155967523
Energy: 1.4662765009086096
Energy: 1.3869653155958919
Energy: 1.4662765009086096
Energy: 1.3869653155958919
Energy: 1.4662765009086096
Energy: 1.4198716727162257
Energy: 1.4109706964646482
Energy: 1.4198716727153653
Energy: 1.410970696462927
Energy: 1.4198716727170864
Energy: 1.4109706964637876
Energy: 1.5578486219972265
Energy: 1.3942358585797618
Energy: 1.557848621996366
Energy: 1.3942358585806223
Energy: 1.5578486219955054
Energy: 1.3942358585806223
Energy: 1.3800816887337168
Energy: 1.4149715435220056
Energy: 1.3800816887345773
Energy: 1.4149715435220056
Energy: 1.3800816887337168
Energy: 1.4149715435220056
Energy: 1.4102688095119078
Energy: 1.4015300416288583
Energy: 1.4102688095119078
Energy: 1.4015300416288583
Energy: 1.4102688095119078
Energy: 1.4015300416288583
Energy: 1.4422141250765748
Energy: 1.4070724209518692
Energy: 1.4422141250765748
Energy: 1.4070724209518692
Energy: 1.4422141250765748
Energy: 1.4070724209518692

minimum gb energy = 1.3700060719517664 eV
minimum distance =  2.33567580653961 Angstroms
sigma value = 27


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

Energy: 1.4918423753968084
Energy: 1.4101670449887838
Energy: 1.4286723257054015
Energy: 1.4101670450003898
Energy: 1.491842375396083
Energy: 1.410167045002566
Energy: 1.5182617384597155
Energy: 1.336277364501182
Energy: 1.518261738456814
Energy: 1.336277364501182
Energy: 1.5182617384539125
Energy: 1.336277364502633
Energy: 1.3510467000475053
Energy: 1.4200449997432634
Energy: 1.3510467000460544
Energy: 1.4200449997432634
Energy: 1.3510467000475053
Energy: 1.420044999742538
Energy: 1.3887930965498054
Energy: 1.415714130099904
Energy: 1.3887930965498054
Energy: 1.415714130099904
Energy: 1.3887930965498054
Energy: 1.41571413010208
Energy: 1.3869656892582032
Energy: 1.473539153486937
Energy: 1.3869656892567523
Energy: 1.4735391534883877
Energy: 1.3869656892582032
Energy: 1.4735391534891131
Energy: 1.4543664914828367
Energy: 1.4848708529062689
Energy: 1.454366491479935
Energy: 1.4848708529055437
Energy: 1.4543664914828367
Energy: 1.4848708529077197
Energy: 1.4105197819784936
Energy: 1.473019382773702
Energy: 1.4105197819784936
Energy: 1.4730193827744271
Energy: 1.4105197819784936
Energy: 1.473019382775878
Energy: 1.5173784220413327
Energy: 1.3443511254589118
Energy: 1.517378422043509
Energy: 1.3443511254603626
Energy: 1.5173784220413327
Energy: 1.34435112545601
Energy: 1.5299874681602648
Energy: 1.391711088011643
Energy: 1.528314415591374
Energy: 1.391711088011643
Energy: 1.5299874681617156
Energy: 1.391711088011643
Energy: 1.5166978128966382
Energy: 1.3847500056881228
Energy: 1.516966917348194
Energy: 1.3847500056881228
Energy: 1.5166978128966382
Energy: 1.3847500056823199
Energy: 1.5264966265775999
Energy: 1.3783834342439898
Energy: 1.526770111248963
Energy: 1.3783834342447152
Energy: 1.5264966265775999
Energy: 1.3783834342432644
Energy: 1.463897603773807
Energy: 1.388095387576365
Energy: 1.4638976037723566
Energy: 1.388095387577816
Energy: 1.4638976037730818
Energy: 1.3880953875792665
Energy: 1.3391739992774119
Energy: 1.439569813111541
Energy: 1.339173999720423
Energy: 1.439569813111541
Energy: 1.3391739984457602
Energy: 1.4395698131137173
Energy: 1.4112995840464382
Energy: 1.3871676843793592
Energy: 1.4112995840478886
Energy: 1.3871676843793592
Energy: 1.4112995840464382
Energy: 1.387167684378634
Energy: 1.4817289041773953
Energy: 1.4449919580305166
Energy: 1.4835156340970264
Energy: 1.4449919580297912
Energy: 1.4817289041781205
Energy: 1.4449919580319672
Energy: 1.36367368072718
Energy: 1.4540654873908994
Energy: 1.3636736807257295
Energy: 1.4540654873923502
Energy: 1.3636736807279055
Energy: 1.454065487386547
Energy: 1.4462494836657864
Energy: 1.347694994148486
Energy: 1.4462494836621596
Energy: 1.347694994148486
Energy: 1.4462494836657864
Energy: 1.3476949941513876
Energy: 1.4494771854177415
Energy: 1.439275639301656
Energy: 1.4494771854184667
Energy: 1.439275639301656
Energy: 1.4494771854177415
Energy: 1.4392756392987542
Energy: 1.4483249606436108
Energy: 1.388546514575921
Energy: 1.3278166388714432
Energy: 1.3885465145766465
Energy: 1.4483249606450617
Energy: 1.3885465145780973
Energy: 1.49184237539971
Energy: 1.4101670450032913
Energy: 1.4286723257097536
Energy: 1.4101670450170736
Energy: 1.4918423754004353
Energy: 1.4101670450308228
Energy: 1.518261738456814
Energy: 1.336277364501182
Energy: 1.5182617384582646
Energy: 1.3362773645004566
Energy: 1.5182617384560886
Energy: 1.3362773645033583
Energy: 1.351046700041702
Energy: 1.4200449997396365
Energy: 1.351046700041702
Energy: 1.4200449997396365
Energy: 1.3510467000424273
Energy: 1.420044999742538
Energy: 1.3887930965498054
Energy: 1.4157141300991785
Energy: 1.3887930965498054
Energy: 1.415714130098453
Energy: 1.3887930965498054
Energy: 1.415714130098453
Energy: 1.3869656892596536
Energy: 1.473539153486937
Energy: 1.3869656892596536
Energy: 1.473539153486937
Energy: 1.3869656892596536
Energy: 1.4735391534876625
Energy: 1.454366491483562
Energy: 1.4848708529040928
Energy: 1.4543664914821113
Energy: 1.4848708529040928
Energy: 1.4543664914842873
Energy: 1.4848708529055437

minimum gb energy = 1.3278166388714432 eV
minimum distance =  2.29815976089917 Angstroms
sigma value = 19


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

Energy: 1.4068447685641352
Energy: 1.354205295514785
Energy: 1.4068447685641352
Energy: 1.3542052955154111
Energy: 1.4068447685647614
Energy: 1.354205295514785
Energy: 1.321286034621323
Energy: 1.349833393577591
Energy: 1.3212860346206972
Energy: 1.3498333935769649
Energy: 1.3212860346206972
Energy: 1.3498333935769649
Energy: 1.3368484139181327
Energy: 1.3713979813665074
Energy: 1.3368484139181327
Energy: 1.3713979813665074
Energy: 1.3368484139181327
Energy: 1.3713979813665074
Energy: 1.363224766628005
Energy: 1.3071709052660854
Energy: 1.363224766628005
Energy: 1.3071709052667113
Energy: 1.3632247666286312
Energy: 1.3071709052660854
Energy: 1.3188884208982077
Energy: 1.322508929754533
Energy: 1.3188884208982077
Energy: 1.322508929754533
Energy: 1.3188884208982077
Energy: 1.322508929753907
Energy: 1.297960691226003
Energy: 1.3830148345927966
Energy: 1.297960691226003
Energy: 1.3830148345927966
Energy: 1.297960691226003
Energy: 1.3830148345921707
Energy: 1.3332156371169772
Energy: 1.3370594600505874
Energy: 1.3332156371169772
Energy: 1.3370594600512133
Energy: 1.3332156371169772
Energy: 1.3370594600512133
Energy: 1.37265090999242
Energy: 1.3467368580390457
Energy: 1.3726509099917943
Energy: 1.3467368580390457
Energy: 1.37265090999242
Energy: 1.3467368580384194
Energy: 1.3784609429242043
Energy: 1.3597287778676976
Energy: 1.3784609429248305
Energy: 1.3597287778676976
Energy: 1.3784609429248305
Energy: 1.3597287778676976
Energy: 1.3494458852836513
Energy: 1.3108571260081627
Energy: 1.3494458852836513
Energy: 1.3108571260081627
Energy: 1.3494458852830253
Energy: 1.3108571260081627
Energy: 1.3735488693766946
Energy: 1.3666892491465408
Energy: 1.3735488693760685
Energy: 1.3666892491452884
Energy: 1.3735488693766946
Energy: 1.3666892491452884
Energy: 1.3225871150781827
Energy: 1.3300807273097586
Energy: 1.322587115080061
Energy: 1.3300807273097586
Energy: 1.3225871150788087
Energy: 1.3300807273097586
Energy: 1.3055116721740398
Energy: 1.3422289067565538
Energy: 1.3055116721765443
Energy: 1.3422289067565538
Energy: 1.3055116721734137
Energy: 1.3422289067565538
Energy: 1.3747416863711308
Energy: 1.3077231215127791
Energy: 1.3747416863711308
Energy: 1.3077231215109006
Energy: 1.3747416863711308
Energy: 1.3077231215090221
Energy: 1.340125463608098
Energy: 1.3271445158636088
Energy: 1.34012546360935
Energy: 1.3271445158636088
Energy: 1.340125463608098
Energy: 1.3271445158636088
Energy: 1.3542270529071587
Energy: 1.3379602725692241
Energy: 1.3542270529071587
Energy: 1.3379602725692241
Energy: 1.3542270529071587
Energy: 1.337960272568598
Energy: 1.3446780364606539
Energy: 1.3195552101792531
Energy: 1.3446780364606539
Energy: 1.319555210179879
Energy: 1.3446780364606539
Energy: 1.3195552101792531
Energy: 1.3605773900662224
Energy: 1.339558593067462
Energy: 1.3605773900662224
Energy: 1.3395585930680882
Energy: 1.3605773900662224
Energy: 1.339558593067462
Energy: 1.3125266621312623
Energy: 1.3865649516527068
Energy: 1.3125266621318883
Energy: 1.3865649516527068
Energy: 1.3125266621318883
Energy: 1.3865649516527068
Energy: 1.34252763627964
Energy: 1.3013393057408242
Energy: 1.34252763627964
Energy: 1.3013393057408242
Energy: 1.3425276362802663
Energy: 1.301339305740198
Energy: 1.331402962423957
Energy: 1.3571245611958793
Energy: 1.3314029624233306
Energy: 1.3571245611958793
Energy: 1.331402962423957
Energy: 1.3571245611958793
Energy: 1.3970586692765645
Energy: 1.3653650466027214
Energy: 1.3970586692765645
Energy: 1.3653650466027214
Energy: 1.3970586692765645
Energy: 1.3653650466027214
Energy: 1.3628585727868214
Energy: 1.3342023113805666
Energy: 1.3628585727868214
Energy: 1.3342023113805666
Energy: 1.362858572786195
Energy: 1.3342023113805666
Energy: 1.3940365127149614
Energy: 1.3511258331557159
Energy: 1.394036512714335
Energy: 1.3511258331557159
Energy: 1.3940365127149614
Energy: 1.3511258331563423
Energy: 1.3068532215746698
Energy: 1.3280888959060573
Energy: 1.306853221575296
Energy: 1.3280888959060573
Energy: 1.3068532215746698
Energy: 1.3280888959060573
Energy: 1.3336824071997537
Energy: 1.350127626965399
Energy: 1.3336824071997537
Energy: 1.350127626965399
Energy: 1.3336824071997537
Energy: 1.350127626965399
Energy: 1.3637954790613878
Energy: 1.332558493728739
Energy: 1.3637954790613878
Energy: 1.332558493728739
Energy: 1.3637954790613878
Energy: 1.332558493728739
Energy: 1.337009766486236
Energy: 1.3570584377701105
Energy: 1.337009766486236
Energy: 1.3570584377701105
Energy: 1.337009766486862
Energy: 1.3570584377701105
Energy: 1.3207654380314429
Energy: 1.3547777262193903
Energy: 1.320765438032069
Energy: 1.3547777262200162
Energy: 1.3207654380308165
Energy: 1.3547777262193903

minimum gb energy = 1.297960691226003 eV
minimum distance =  2.31999309362096 Angstroms
sigma value = 101


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

Energy: 1.3243165494490816
Energy: 1.268447122237155
Energy: 1.3243165494490816
Energy: 1.268447122237155
Energy: 1.3243165494490816
Energy: 1.268447122237155
Energy: 1.3044146819114386
Energy: 1.2784699490707352
Energy: 1.304414681911989
Energy: 1.2784699490701847
Energy: 1.304414681911989
Energy: 1.2784699490701847
Energy: 1.2619892597212745
Energy: 1.2664695330087983
Energy: 1.2619892597201736
Energy: 1.2664695330093487
Energy: 1.261989259720724
Energy: 1.2664695330093487
Energy: 1.2808496464353791
Energy: 1.265053536643863
Energy: 1.2808496464353791
Energy: 1.2650535366444136
Energy: 1.2808496464353791
Energy: 1.2650535366444136
Energy: 1.2871810915644606
Energy: 1.251152775504314
Energy: 1.2871810915650108
Energy: 1.2511527755054148
Energy: 1.2871810915644606
Energy: 1.251152775504314
Energy: 1.247205490238541
Energy: 1.2814183799433765
Energy: 1.247205490238541
Energy: 1.2814183799439272
Energy: 1.247205490239642
Energy: 1.2814183799439272
Energy: 1.2781559138298475
Energy: 1.294542608069307
Energy: 1.2781559138292973
Energy: 1.294542608069307
Energy: 1.2781559138287466
Energy: 1.2945426080687565
Energy: 1.2790450708710899
Energy: 1.2695416957891
Energy: 1.2790450708716403
Energy: 1.2695416957891
Energy: 1.2790450708705394
Energy: 1.2695416957896506
Energy: 1.2438056547467564
Energy: 1.2863700189760197
Energy: 1.2438056547467564
Energy: 1.2863700189760197
Energy: 1.2438056547467564
Energy: 1.2863700189760197
Energy: 1.2756604089038528
Energy: 1.3063104769743221
Energy: 1.2756604089038528
Energy: 1.3063104769737717
Energy: 1.2756604089038528
Energy: 1.3063104769743221
Energy: 1.2787030542022988
Energy: 1.423601081799157
Energy: 1.2787030542017483
Energy: 1.423601081798607
Energy: 1.2787030542017483
Energy: 1.4236010817997073
Energy: 1.3301156102538532
Energy: 1.291854558681074
Energy: 1.3301156102538532
Energy: 1.2918545586805235
Energy: 1.3301156102538532
Energy: 1.2918545586805235
Energy: 1.220617541090102
Energy: 1.266250588262636
Energy: 1.220617541090102
Energy: 1.266250588262636
Energy: 1.220617541090102
Energy: 1.266250588262636
Energy: 1.3284629909543673
Energy: 1.306906709458638
Energy: 1.3284629909532661
Energy: 1.3601303202595751
Energy: 1.3284629909538166
Energy: 1.2941757767620339
Energy: 1.305370880155917
Energy: 1.2710671931988056
Energy: 1.305370880155917
Energy: 1.2710671931982551
Energy: 1.3053708801553667
Energy: 1.2710671931982551
Energy: 1.2613878622481163
Energy: 1.2976184833695767
Energy: 1.2613878622481163
Energy: 1.2976184833695767
Energy: 1.2613878622470152
Energy: 1.2976184833695767
Energy: 1.275383055928026
Energy: 1.3230489899203484
Energy: 1.2753830559291268
Energy: 1.323048989921449
Energy: 1.2753830559285764
Energy: 1.3230489899208986
Energy: 1.3033106533687213
Energy: 1.2523583364391002
Energy: 1.3033106533692715
Energy: 1.2523583364413018
Energy: 1.3033106533692715
Energy: 1.2523583364396507
Energy: 1.2469012381338116
Energy: 1.2861739881451715
Energy: 1.246901238134362
Energy: 1.2861739881446212
Energy: 1.2469012381338116
Energy: 1.2861739881451715
Energy: 1.2905137038506245
Energy: 1.2715157095565055
Energy: 1.290513703851175
Energy: 1.2715157095565055
Energy: 1.2905137038506245
Energy: 1.2715157095559553
Energy: 1.2775478999812806
Energy: 1.4175039605369921
Energy: 1.2775478999812806
Energy: 1.417503960536442
Energy: 1.2775478999823815
Energy: 1.4175039605369921
Energy: 1.3178107721544667
Energy: 1.29453555463917
Energy: 1.3178107721489627
Energy: 1.29453555463917
Energy: 1.317810772153366
Energy: 1.29453555463917
Energy: 1.3169064324185276
Energy: 1.2726217733596243
Energy: 1.316906432419078
Energy: 1.2726217733596243
Energy: 1.3169064324185276
Energy: 1.2726217733601748
Energy: 1.2811776223426639
Energy: 1.3198972478672892
Energy: 1.2811776223421636
Energy: 1.31989724786839
Energy: 1.2811776223432143
Energy: 1.31989724786839
Energy: 1.3333607408896082
Energy: 1.2706573935231882
Energy: 1.3333607408901589
Energy: 1.2706573935237386
Energy: 1.333360740889058
Energy: 1.2706573935231882
Energy: 1.2261074087724821
Energy: 1.2955221032727884
Energy: 1.2261074087724821
Energy: 1.2955221032727884
Energy: 1.2261074087708306
Energy: 1.2955221032727884
Energy: 1.3367669675982845
Energy: 1.3066811301000965
Energy: 1.3367669675982845
Energy: 1.306681130100647
Energy: 1.3367669675982845
Energy: 1.3066811301000965
Energy: 1.3081929442950415
Energy: 1.2718848697300191
Energy: 1.3081929442950415
Energy: 1.2718848697294687
Energy: 1.3081929442955917
Energy: 1.2718848697305698
Energy: 1.319850722183096
Energy: 1.2917910990686172
Energy: 1.319850722183096
Energy: 1.2917910990686172
Energy: 1.3198507221836462
Energy: 1.2917910990691674
Energy: 1.2732229426390986
Energy: 1.2733668478713724
Energy: 1.2732229426390986
Energy: 1.273366847871923
Energy: 1.2732229426379977
Energy: 1.273366847871923
Energy: 1.27586329715249
Energy: 1.2583840580618872
Energy: 1.275863297151389
Energy: 1.2583840580624375
Energy: 1.27586329715249
Energy: 1.2583840580624375
Energy: 1.3181464006976755
Energy: 1.2977624605372782
Energy: 1.3181464006976755
Energy: 1.2977624605372782
Energy: 1.3181464006976755
Energy: 1.2977624605372782
Energy: 1.3220440829124718
Energy: 1.2722528352086855
Energy: 1.3220440829119213
Energy: 1.2722528352086855
Energy: 1.3220440829113709
Energy: 1.272252835209236

minimum gb energy = 1.220617541090102 eV
minimum distance =  2.31702948463211 Angstroms
sigma value = 33


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

Energy: 0.019851131203458917
Energy: 1.0479248379595951
Energy: 0.019851131203458917
Energy: 1.0479248379497883
Energy: 0.019851131203916236
Energy: 1.0479248379618311
Energy: 0.02052761260576645
Energy: 0.1690923218288141
Energy: 0.02052761260576645
Energy: 0.1690923218288141
Energy: 0.02052761260576645
Energy: 0.1690923218288141
Energy: 1.043820055817598
Energy: 0.16981048863757972
Energy: 1.0438200558184618
Energy: 0.16981048863270165
Energy: 1.0438200558251693
Energy: 0.16981048863803705
Energy: 0.020527612604445307
Energy: 0.1690923218296779
Energy: 0.020527612604445307
Energy: 0.1690923218296779
Energy: 0.020527612604445307
Energy: 0.1690923218296779

minimum gb energy = 0.019851131203458917 eV
minimum distance =  2.51341909397197 Angstroms
sigma value = 1