Model name: model_name=MEAM_LAMMPS_CostaAgrenClavaguera_2007_AlNi__MO_131642768288_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.044650778174401
cohesive_energy=3.3602642530493245
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.011733846093897545
Energy: 0.17639740801374293
Energy: 0.17639740801374293
Energy: 0.011733846093897545
Energy: 0.17639740801374293
Energy: 0.17639740801374293
Energy: 0.011733846093897545
Energy: 0.17639740801374293
Energy: 0.17639740801374293
Energy: 0.011733846093897545
Energy: 0.17602565150255953
Energy: 0.012322481666507288
Energy: 0.17669354023533906
Energy: 0.1760256515014048
Energy: 0.012322481666507288
Energy: 0.17669354023533906
Energy: 0.1760256515014048
Energy: 0.012322481666507288
Energy: 0.17669354023533906
Energy: 0.1760256515014048
Energy: 0.8335024235792404
Energy: 0.012496414477347893
Energy: 0.3843122884836317
Energy: 0.5983376673688556
Energy: 0.0918605688406734
Energy: 0.10617778519768951
Energy: 0.3959509528807046
Energy: 0.012496414477347893
Energy: 0.10617778519768951
Energy: 0.39595095641718536
Energy: 0.1760256515014048
Energy: 0.17669354023533906
Energy: 0.012322481666507288
Energy: 0.1760256515014048
Energy: 0.17669354023533906
Energy: 0.012322481666507288
Energy: 0.1760256515014048
Energy: 0.17669354023533906
Energy: 0.012322481666507288
Energy: 0.1760256515014048
Energy: 0.011733846093897545
Energy: 0.17639740801374293
Energy: 0.1763974080125882
Energy: 0.011733846093897545
Energy: 0.17639740801374293
Energy: 0.17639740801374293
Energy: 0.011733846093897545
Energy: 0.17639740801374293
Energy: 0.17639740801374293
Energy: 0.011733846093897545
Energy: 0.1760256515014048
Energy: 0.012322481666507288
Energy: 0.17669354023533906
Energy: 0.1760256515014048
Energy: 0.012322481666507288
Energy: 0.17669354023533906
Energy: 0.1760256515014048
Energy: 0.012322481666507288
Energy: 0.17669354023533906
Energy: 0.1760256515014048
Energy: 0.36206658436891553
Energy: 0.012496414477347893
Energy: 0.35839312992222633
Energy: 0.5983376673688556
Energy: 0.09186056883951867
Energy: 0.1061777851965348
Energy: 0.39595095825468246
Energy: 0.012496414477347893
Energy: 0.10617778519768951
Energy: 0.3959509501106154

minimum gb energy = 0.011733846093897545 eV
minimum distance =  2.63483593428324 Angstroms
sigma value = 3


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

Energy: 0.5568233611386326
Energy: 0.6517348698698132
Energy: 0.6517553046477899
Energy: 0.5379324248150104
Energy: 0.651734869870379
Energy: 0.651755304647507
Energy: 0.5568233611394812
Energy: 0.6517348698689647
Energy: 0.6517553046477899
Energy: 0.5379324248152931
Energy: 0.5806119206387617
Energy: 0.5385632136008658
Energy: 0.6403376172424597
Energy: 0.5806116869526012
Energy: 0.5385632136008658
Energy: 0.6403376172424597
Energy: 0.5806118681651006
Energy: 0.5385632135997345
Energy: 0.640337617240197
Energy: 0.5806119102074695
Energy: 0.5911236140193622
Energy: 0.6703984687801214
Energy: 0.6634255005756868
Energy: 0.5783061407484128
Energy: 0.6703984687812529
Energy: 0.6634255005739897
Energy: 0.5911236140193622
Energy: 0.6703984687795558
Energy: 0.6634255005751212
Energy: 0.578306140727482
Energy: 0.6512837819488647
Energy: 0.6002767215490914
Energy: 0.5173282752974143
Energy: 0.651283781947759
Energy: 0.6002767215485257
Energy: 0.5173282752974143
Energy: 0.6512837819466277
Energy: 0.6002767215499399
Energy: 0.5173282752971313
Energy: 0.6512837819469105
Energy: 0.4977893793469658
Energy: 0.6356523197113668
Energy: 0.6395443110901968
Energy: 0.4977893793475315
Energy: 0.6545641573494997
Energy: 0.6395552097809493
Energy: 0.49778937934668294
Energy: 0.6356523197093867
Energy: 0.6395443110896311
Energy: 0.4977893793489457
Energy: 0.67450838823382
Energy: 0.5234021946544016
Energy: 0.5643106019029878
Energy: 0.6745083879002148
Energy: 0.5234021946529874
Energy: 0.5643106019032705
Energy: 0.6745083882643674
Energy: 0.5234021946541189
Energy: 0.5643106019049676
Energy: 0.6745083879957656
Energy: 0.6474728751978339
Energy: 0.5178838769783647
Energy: 0.7018036578919632
Energy: 0.6474728751998139
Energy: 0.5178838769775163
Energy: 0.7018036578930946
Energy: 0.6474728751995309
Energy: 0.5178838769775163
Energy: 0.7018036578922461
Energy: 0.6474728751992481
Energy: 0.6357443689899271
Energy: 0.6353297767210971
Energy: 0.5342804558904786
Energy: 0.6357443689899271
Energy: 0.6353297767196829
Energy: 0.5342754429413509
Energy: 0.6357443689882301
Energy: 0.6353297767199658
Energy: 0.5342804558941556
Energy: 0.6357443689885129
Energy: 0.5393137274883634
Energy: 0.6520876529050834
Energy: 0.6529364108318144
Energy: 0.5393721665883113
Energy: 0.6520876529033863
Energy: 0.6529364108309916
Energy: 0.5393137274866664
Energy: 0.6520876529042349
Energy: 0.6529364108309916
Energy: 0.5393721665891599
Energy: 0.6516366561742966
Energy: 0.6742128576589865
Energy: 0.5892731259363019
Energy: 0.6533605816046238
Energy: 0.674212857660118
Energy: 0.5894583040828502
Energy: 0.6516366559992914
Energy: 0.6742128576587038
Energy: 0.5892731259334734
Energy: 0.6533605816111294
Energy: 0.5860210308072069
Energy: 0.5389116181264475
Energy: 0.581432134925526
Energy: 0.5860210308060755
Energy: 0.5389116181244675
Energy: 0.581432134925526
Energy: 0.5860210308049443
Energy: 0.5389116181253161
Energy: 0.5814321349258088
Energy: 0.5860210308038128
Energy: 0.6514463602327373
Energy: 0.6518136388581419
Energy: 0.5172028511672483
Energy: 0.6514463602318887
Energy: 0.6518136388600961
Energy: 0.5172028511669655
Energy: 0.6514463602330202
Energy: 0.6518136388598135
Energy: 0.5172028511655513
Energy: 0.6514463602341517
Energy: 0.5436207819638081
Energy: 0.6544621055437863
Energy: 0.5726113828028182
Energy: 0.5436207819646567
Energy: 0.5871431835128615
Energy: 0.5726113828031011
Energy: 0.5436207819643739
Energy: 0.6544621055454835
Energy: 0.5726113828011211
Energy: 0.543620781964091
Energy: 0.6246920635289704
Energy: 0.6644419169488502
Energy: 0.6392005598876946
Energy: 0.624692063527839
Energy: 0.6553927291110703
Energy: 0.6392017547159589
Energy: 0.624692063527839
Energy: 0.6644419169482845
Energy: 0.6392006525798761
Energy: 0.6246920635292533
Energy: 0.6464538811240662
Energy: 0.5171278865637844
Energy: 0.6468481646249791
Energy: 0.6464538811223691
Energy: 0.5171278865646329
Energy: 0.646848164625262
Energy: 0.646453881124632
Energy: 0.5171278865637844
Energy: 0.6468481646235649
Energy: 0.646453881124632
Energy: 0.6296644853654453
Energy: 0.6249571425197638
Energy: 0.5384961461257024
Energy: 0.6296644853654453
Energy: 0.6249571425186323
Energy: 0.538355983157318
Energy: 0.629664485365728
Energy: 0.6249571425180667
Energy: 0.5384961461228739
Energy: 0.6296644853654453
Energy: 0.5686149894556644
Energy: 0.7415469815471792
Energy: 0.6743453138415346
Energy: 0.5686149894545329
Energy: 0.7415469815480278
Energy: 0.6743453138395546
Energy: 0.5686149894531188
Energy: 0.7415469815480278
Energy: 0.6743453138398375
Energy: 0.5686149894539673
Energy: 0.5611240598478758
Energy: 0.7015592710892226
Energy: 0.6514958109146594
Energy: 0.5406287208047245
Energy: 0.7015592710900711
Energy: 0.6514958109155079
Energy: 0.5611240598464617
Energy: 0.7015592710926168
Energy: 0.6514958109129623
Energy: 0.5406287208050071
Energy: 0.640754016433005
Energy: 0.5342486460333996
Energy: 0.6409171486480241
Energy: 0.6407540164327221
Energy: 0.5342486460339653
Energy: 0.6409171486474584
Energy: 0.6407540164315908
Energy: 0.5342486460325511
Energy: 0.6409171486485898
Energy: 0.6407540164313078
Energy: 0.651357147827482
Energy: 0.7013262333690709
Energy: 0.5172222983624609
Energy: 0.6513571478252193
Energy: 0.7013262346099461
Energy: 0.517222298360481
Energy: 0.651357147827482
Energy: 0.7013262469696632
Energy: 0.5172222983599153
Energy: 0.6513571478263508
Energy: 0.674250163805381
Energy: 0.5490969459768429
Energy: 0.5239082981494667
Energy: 0.674250163803684
Energy: 0.5352701261250964
Energy: 0.5239082981489012
Energy: 0.6742501638056638
Energy: 0.5490969459785401
Energy: 0.5239082981477696
Energy: 0.6742501638050982
Energy: 0.49770543742372125
Energy: 0.6353329333681655
Energy: 0.6398182715637167
Energy: 0.4977054374231556
Energy: 0.6344852541783357
Energy: 0.6537292364064043
Energy: 0.497705437422307
Energy: 0.6353329333664683
Energy: 0.6398182715682423
Energy: 0.49770543742287277
Energy: 0.6468404799900693
Energy: 0.5172542176703255
Energy: 0.6484458670354316
Energy: 0.6468404799875493
Energy: 0.5172542176714567
Energy: 0.6484458670289261
Energy: 0.6468404799872667
Energy: 0.517254217670891
Energy: 0.6484458670447656
Energy: 0.6468404799900693
Energy: 0.552063900599807
Energy: 0.6633252980306097
Energy: 0.624585107245236
Energy: 0.552063900599807
Energy: 0.6633252980325897
Energy: 0.624585107245236
Energy: 0.5520639006000899
Energy: 0.663325298032024
Energy: 0.6245851072446702
Energy: 0.5520639005992413
Energy: 0.5642867628360887
Energy: 0.6511167105787916
Energy: 0.5385836124972656
Energy: 0.5642867628366544
Energy: 0.6511167211356164
Energy: 0.5384906516314107
Energy: 0.5642867628355229
Energy: 0.6511167337336705
Energy: 0.5385836124964171
Energy: 0.5642867628346745
Energy: 0.5367711276176712
Energy: 0.6517348698706618
Energy: 0.6517553046463755
Energy: 0.5368977918878465
Energy: 0.651734869870379
Energy: 0.6517553046463755
Energy: 0.5367711276188025
Energy: 0.6517348698695303
Energy: 0.6517553046477899
Energy: 0.5368977918881294
Energy: 0.5806117779998993
Energy: 0.538563213600583
Energy: 0.6403376172413283
Energy: 0.5806119129959546
Energy: 0.5385632135997345
Energy: 0.6403376172430254
Energy: 0.5806119765616127
Energy: 0.5385632135997345
Energy: 0.6403376172396313
Energy: 0.5806117404887126
Energy: 0.6218867813220581
Energy: 0.6703984687798387
Energy: 0.6634255005754038
Energy: 0.6263698078452731
Energy: 0.67039846878097
Energy: 0.6634255005754038
Energy: 0.621886781322341
Energy: 0.6703984687804044
Energy: 0.6634255005756868
Energy: 0.6263698078438588
Energy: 0.6512837819485819
Energy: 0.6002767215490914
Energy: 0.5173282752982628
Energy: 0.6512837819474763
Energy: 0.6002767215488086
Energy: 0.5173282752982628
Energy: 0.6512837819457792
Energy: 0.6002767215499399
Energy: 0.5173282752965657
Energy: 0.6512837819466277

minimum gb energy = 0.497705437422307 eV
minimum distance =  2.50734099420306 Angstroms
sigma value = 75


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

Energy: 0.5851684951893478
Energy: 0.49343572284882764
Energy: 0.4934922664602012
Energy: 0.5063034271170237
Energy: 0.49343572284606735
Energy: 0.49349226646158134
Energy: 0.5851684951893478
Energy: 0.49343572284882764
Energy: 0.4934922664602012
Energy: 0.5063034271170237
Energy: 0.49194561980041923
Energy: 0.5877579784593913
Energy: 0.49800183626412126
Energy: 0.49194561980179935
Energy: 0.5877579784607715
Energy: 0.4980018362655015
Energy: 0.4919456198031795
Energy: 0.5877579784593913
Energy: 0.4980018362655015
Energy: 0.49194561980179935
Energy: 0.5742362162977631
Energy: 0.5897127335789035
Energy: 0.49067600725413496
Energy: 0.553293854320402
Energy: 0.5897127335802836
Energy: 0.49067600725413496
Energy: 0.5742362162963829
Energy: 0.5897127335802836
Energy: 0.490676007255515
Energy: 0.5532938543217822
Energy: 0.5297098800344973
Energy: 0.5297517346913706
Energy: 0.4933137096735802
Energy: 0.5452092837561924
Energy: 0.5451610134815287
Energy: 0.4933137096722
Energy: 0.5297098800344973
Energy: 0.5297517346913706
Energy: 0.4933137096708198
Energy: 0.5452092837561924
Energy: 0.6041900213121679
Energy: 0.624784064824581
Energy: 0.5896780289459128
Energy: 0.5488459077118127
Energy: 0.624784064824581
Energy: 0.589678028948648
Energy: 0.6041900213094077
Energy: 0.6247840648259612
Energy: 0.5896780289472678
Energy: 0.5488459077145732
Energy: 0.4892483778840837
Energy: 0.5922728678819794
Energy: 0.6342855574110176
Energy: 0.4892483778840837
Energy: 0.5922728678819794
Energy: 0.6342855574096374
Energy: 0.48924837788270353
Energy: 0.5922728678805992
Energy: 0.6342855574110176
Energy: 0.48924837788270353
Energy: 0.49326128902552935
Energy: 0.523728808703061
Energy: 0.48987481073080785
Energy: 0.4932612890241491
Energy: 0.5475485042095254
Energy: 0.489874810732188
Energy: 0.49326128902552935
Energy: 0.5237288087016809
Energy: 0.48987481073356826
Energy: 0.49326128902552935
Energy: 0.49798612785514434
Energy: 0.49018911620224603
Energy: 0.5850641404382387
Energy: 0.4979861278565244
Energy: 0.49018911620362615
Energy: 0.5850641404382387
Energy: 0.49798612785790464
Energy: 0.49018911620362615
Energy: 0.5850641404382387
Energy: 0.49798612785514434
Energy: 0.48974308220881163
Energy: 0.5556650726817934
Energy: 0.5968741488318269
Energy: 0.48974308220881163
Energy: 0.5583095356465515
Energy: 0.596874148833207
Energy: 0.48974308220881163
Energy: 0.5556650726817934
Energy: 0.5968741488318269
Energy: 0.48974308221019175
Energy: 0.4898419412693231
Energy: 0.5379316486047538
Energy: 0.5384459852205391
Energy: 0.4898419412707032
Energy: 0.5382421537166883
Energy: 0.5390334672157961
Energy: 0.4898419412707032
Energy: 0.5379316486047538
Energy: 0.5384459852205391
Energy: 0.4898419412707032
Energy: 0.6118940312321468
Energy: 0.5875824665181161
Energy: 0.6159430135367759
Energy: 0.6118940312307667
Energy: 0.5876496402416385
Energy: 0.6159430135353958
Energy: 0.6118940312321468
Energy: 0.5875824665167358
Energy: 0.6159430135340157
Energy: 0.6118940312321468
Energy: 0.5993959438634007
Energy: 0.4902591985264745
Energy: 0.5950854016388875
Energy: 0.5993959438634007
Energy: 0.4902591985250943
Energy: 0.5950854016402676
Energy: 0.5993959438634007
Energy: 0.4902591985250943
Energy: 0.5950854016402676
Energy: 0.5993959438647809
Energy: 0.5163940680479798
Energy: 0.4898889599710236
Energy: 0.5280920910975403
Energy: 0.5163940680479798
Energy: 0.4898889599710236
Energy: 0.5568687717302918
Energy: 0.51639406804936
Energy: 0.48988895996828846
Energy: 0.5280920911003006
Energy: 0.5163940680479798
Energy: 0.5828644638877346
Energy: 0.620255876965325
Energy: 0.4975973103294267
Energy: 0.5828644638890897
Energy: 0.620255876965325
Energy: 0.497597310332187
Energy: 0.5828644638890897
Energy: 0.620255876966705
Energy: 0.49759731032528626
Energy: 0.5828644638877346
Energy: 0.5968517202872256
Energy: 0.6006877282885464
Energy: 0.5500282121689317
Energy: 0.5968517202899858
Energy: 0.6006877282885464
Energy: 0.5342570859230104
Energy: 0.5968517202872256
Energy: 0.6006877282871662
Energy: 0.5500282121675516
Energy: 0.596851720291366
Energy: 0.5892490969717309
Energy: 0.5187769100041008
Energy: 0.5488200214466629
Energy: 0.589249096973111
Energy: 0.5187769100041008
Energy: 0.5334429198239405
Energy: 0.5892490969703507
Energy: 0.5187769100041008
Energy: 0.5488200214452826
Energy: 0.5892490969703507
Energy: 0.6158274397018939
Energy: 0.6254365921892573
Energy: 0.5842435863342249
Energy: 0.615827439703274
Energy: 0.6254365921892573
Energy: 0.5842511789746772
Energy: 0.615827439703274
Energy: 0.625436592186497
Energy: 0.5842435863328448
Energy: 0.615827439703274
Energy: 0.5254575121516138
Energy: 0.5708489734302705
Energy: 0.49007223734556565
Energy: 0.5602959604439764
Energy: 0.5708489734275102
Energy: 0.49007223734556565
Energy: 0.5254575121516138
Energy: 0.5708489734288903
Energy: 0.49007223734556565
Energy: 0.5602959604439764
Energy: 0.5259314417214965
Energy: 0.5343460862522317
Energy: 0.5421377484568912
Energy: 0.5615412212232329
Energy: 0.5343460862536119
Energy: 0.5650210096556667
Energy: 0.5259314417214965
Energy: 0.5343460862522317
Energy: 0.5421377484568912
Energy: 0.5615412212246131
Energy: 0.49785121725128495
Energy: 0.5849768849877846
Energy: 0.4898519143691202
Energy: 0.49785121725128495
Energy: 0.5849768849877846
Energy: 0.48985191436774006
Energy: 0.49785121725404535
Energy: 0.5849768849877846
Energy: 0.4898519143691202
Energy: 0.49785121725128495
Energy: 0.5335797205314026
Energy: 0.5339919633754119
Energy: 0.5970231646729757
Energy: 0.5495380621714179
Energy: 0.5504218035465154
Energy: 0.5970231646715956
Energy: 0.5335797205314026
Energy: 0.5339919633740318
Energy: 0.5970231646702154
Energy: 0.5495380621741531
Energy: 0.5345562902350722
Energy: 0.6046165177568679
Energy: 0.5166832713535264
Energy: 0.5521781225913249
Energy: 0.6046165177596282
Energy: 0.5166832713507662
Energy: 0.5345562902350722
Energy: 0.6046165177596282
Energy: 0.5166832713521463
Energy: 0.5521781225899449
Energy: 0.5828277231708358
Energy: 0.6249519973593528
Energy: 0.7944773405060414
Energy: 0.5828402856998065
Energy: 0.6249519973593528
Energy: 0.7944773405046612
Energy: 0.5828277231708358
Energy: 0.6249519973593528
Energy: 0.7944773405060414
Energy: 0.5828402856998065
Energy: 0.5961984702027538
Energy: 0.5575863187428759
Energy: 0.4901146714184694
Energy: 0.596198470204134
Energy: 0.5260667197159019
Energy: 0.4901146714184694
Energy: 0.596198470204134
Energy: 0.5575863187414957
Energy: 0.4901146714184694
Energy: 0.5961984702013737
Energy: 0.6019015393585748
Energy: 0.5628896384469645
Energy: 0.49003074179785105
Energy: 0.595365835096179
Energy: 0.527033356802335
Energy: 0.49003074179785105
Energy: 0.6019015393599549
Energy: 0.5628896384469645
Energy: 0.490030741796471
Energy: 0.595365835096179
Energy: 0.49088183089919263
Energy: 0.4979518416374614
Energy: 0.5866177709548209
Energy: 0.4908818308964322
Energy: 0.49795184163608125
Energy: 0.586617770956201
Energy: 0.49088183089781245
Energy: 0.49795184163608125
Energy: 0.5866177709548209
Energy: 0.49088183089781245
Energy: 0.4894405511536547
Energy: 0.5418500333541338
Energy: 0.5383163825653868
Energy: 0.4894405511550348
Energy: 0.5414843454425732
Energy: 0.5378641626308338
Energy: 0.4894405511536547
Energy: 0.5418500333555141
Energy: 0.5383163825653868
Energy: 0.4894405511536547
Energy: 0.4893878649843589
Energy: 0.5415880029504341
Energy: 0.6065597594394402
Energy: 0.4893878649843589
Energy: 0.5513375612186373
Energy: 0.6065597594394402
Energy: 0.4893878649843589
Energy: 0.541588002949054
Energy: 0.6065597594408203
Energy: 0.4893878649843589
Energy: 0.794598188056372
Energy: 0.5843676289892794
Energy: 0.5987971800547425
Energy: 0.7945981880591323
Energy: 0.5850131175183846
Energy: 0.5987971800547425
Energy: 0.7945981880577522
Energy: 0.5843676289906595
Energy: 0.5987971800547425
Energy: 0.7945981880549917
Energy: 0.49025399829494687
Energy: 0.4898588014236833
Energy: 0.5477926123859549
Energy: 0.49025399829356675
Energy: 0.48985880142230326
Energy: 0.5237833559035651
Energy: 0.49025399829494687
Energy: 0.4898588014236833
Energy: 0.5477926123831947
Energy: 0.490253998296327
Energy: 0.4891796445627484
Energy: 0.7863100350431669
Energy: 0.5904869753150476
Energy: 0.4891796445627484
Energy: 0.786310035044547
Energy: 0.5904869753136675
Energy: 0.4891796445627484
Energy: 0.7863100350528279
Energy: 0.5904869753136675
Energy: 0.4891796445613683
Energy: 0.5870650366022915
Energy: 0.540802151101836
Energy: 0.6313261845461
Energy: 0.5870650366022915
Energy: 0.5408021511032162
Energy: 0.6313261845474802
Energy: 0.5870650366009112
Energy: 0.5408021511032162
Energy: 0.6313261845461
Energy: 0.5870650366022915
Energy: 0.5294634022294512
Energy: 0.4930393353429678
Energy: 0.5449209666002561
Energy: 0.5450045377849035
Energy: 0.49303933534158767
Energy: 0.5295805085197054
Energy: 0.5294634022294512
Energy: 0.49303933534158767
Energy: 0.5449209666016362
Energy: 0.5450045377862837
Energy: 0.6048759358870722
Energy: 0.4904527685613479
Energy: 0.5420311486589711
Energy: 0.604875935884312
Energy: 0.49045276855996767
Energy: 0.5603331523518511
Energy: 0.6048759358856921
Energy: 0.4904527685613479
Energy: 0.5420311486700123
Energy: 0.6048759358856921
Energy: 0.6300661515626944
Energy: 0.6236881505741673
Energy: 0.5868143524019181
Energy: 0.6300661515613143
Energy: 0.6236881505741673
Energy: 0.5867530936476736
Energy: 0.6300661515626944
Energy: 0.6236881505727871
Energy: 0.5868143524019181
Energy: 0.6300661515626944
Energy: 0.5851684951893478
Energy: 0.49343572284882764
Energy: 0.4934922664602012
Energy: 0.5063034271170237
Energy: 0.49343572284606735
Energy: 0.4934922664602012
Energy: 0.5851684951893478
Energy: 0.49343572284882764
Energy: 0.4934922664602012
Energy: 0.5063034271170237
Energy: 0.49194561980179935
Energy: 0.5877579784593913
Energy: 0.4980018362655015
Energy: 0.49194561980179935
Energy: 0.5877579784607715
Energy: 0.4980018362655015
Energy: 0.49194561980179935
Energy: 0.5877579784580111
Energy: 0.4980018362655015
Energy: 0.49194561980179935
Energy: 0.5742362162977631
Energy: 0.5897127335802836
Energy: 0.49067600725413496
Energy: 0.5532938543231624
Energy: 0.5897127335816638
Energy: 0.490676007255515
Energy: 0.5742362162963829
Energy: 0.5897127335816638
Energy: 0.490676007255515
Energy: 0.5532938543217822
Energy: 0.5297098800344973
Energy: 0.5297517346927507
Energy: 0.4933137096735802
Energy: 0.5452092837561924
Energy: 0.5451610134815287
Energy: 0.4933137096722
Energy: 0.5297098800344973
Energy: 0.5297517346913706
Energy: 0.4933137096722
Energy: 0.5452092837575727
Energy: 0.6041900213107878
Energy: 0.6247840648259612
Energy: 0.5896780289431525
Energy: 0.5488459077118127
Energy: 0.624784064824581
Energy: 0.5896780289472678
Energy: 0.6041900213107878
Energy: 0.6247840648259612
Energy: 0.5896780289472678
Energy: 0.5488459077173334
Energy: 0.48924837788270353
Energy: 0.5922728678819794
Energy: 0.6342855574110176
Energy: 0.48924837788270353
Energy: 0.5922728678819794
Energy: 0.6342855574096374
Energy: 0.48924837788270353
Energy: 0.5922728678819794
Energy: 0.6342855574110176
Energy: 0.48924837788270353
Energy: 0.4932612890241491
Energy: 0.523728808703061
Energy: 0.489874810732188
Energy: 0.49326128902552935
Energy: 0.5475485042095254
Energy: 0.48987481073356826
Energy: 0.4932612890241491
Energy: 0.5237288087016809
Energy: 0.48987481073356826
Energy: 0.4932612890241491
Energy: 0.49798612785376417
Energy: 0.49018911620224603
Energy: 0.5850641404382387
Energy: 0.49798612785376417
Energy: 0.49018911620362615
Energy: 0.5850641404382387
Energy: 0.4979861278565244
Energy: 0.49018911620362615
Energy: 0.5850641404382387
Energy: 0.49798612785514434
Energy: 0.48974308220881163
Energy: 0.5556650726804132
Energy: 0.596874148833207
Energy: 0.48974308220881163
Energy: 0.5583095356465515
Energy: 0.596874148833207
Energy: 0.48974308220881163
Energy: 0.5556650726817934
Energy: 0.5968741488318269
Energy: 0.48974308220881163
Energy: 0.4898419412693231
Energy: 0.5379316486047538
Energy: 0.5384459852205391
Energy: 0.4898419412707032
Energy: 0.5382421537166883
Energy: 0.5390334672157961
Energy: 0.4898419412693231
Energy: 0.5379316486047538
Energy: 0.5384459852191589
Energy: 0.4898419412707032
Energy: 0.6118940312321468
Energy: 0.5875824665181161
Energy: 0.6159430135367759
Energy: 0.6118940312321468
Energy: 0.5876496402416385
Energy: 0.6159430135353958
Energy: 0.6118940312321468
Energy: 0.5875824665167358
Energy: 0.6159430135340157
Energy: 0.6118940312321468
Energy: 0.5993959438620204
Energy: 0.4902591985264745
Energy: 0.5950854016388875
Energy: 0.5993959438634007
Energy: 0.4902591985250943
Energy: 0.5950854016402676
Energy: 0.5993959438634007
Energy: 0.4902591985250943
Energy: 0.5950854016402676
Energy: 0.5993959438634007
Energy: 0.5163940680465997
Energy: 0.4898889599710236
Energy: 0.5280920910975403
Energy: 0.5163940680479798
Energy: 0.4898889599710236
Energy: 0.5568687717302918
Energy: 0.5163940680479798
Energy: 0.48988895996828846
Energy: 0.5280920911003006
Energy: 0.5163940680479798
Energy: 0.5828644638890897
Energy: 0.620255876965325
Energy: 0.49759731032804655
Energy: 0.5828644638877346
Energy: 0.620255876965325
Energy: 0.49759731032804655
Energy: 0.5828644638890897
Energy: 0.620255876965325
Energy: 0.49759731032666643
Energy: 0.5828644638877346
Energy: 0.5968517202899858
Energy: 0.6006877282885464
Energy: 0.5500282121703117
Energy: 0.5968517202886057
Energy: 0.6006877282885464
Energy: 0.5342570859243906
Energy: 0.5968517202899858
Energy: 0.6006877282871662
Energy: 0.5500282121689317
Energy: 0.5968517202927462
Energy: 0.5892490969717309
Energy: 0.5187769100041008
Energy: 0.5488200214466629
Energy: 0.589249096973111
Energy: 0.518776910005481
Energy: 0.5334429198239405
Energy: 0.5892490969703507
Energy: 0.5187769100041008
Energy: 0.5488200214466629
Energy: 0.5892490969703507
Energy: 0.6158274397018939
Energy: 0.6254365921878772
Energy: 0.5842435863342249
Energy: 0.615827439703274
Energy: 0.6254365921892573
Energy: 0.5842511789760573
Energy: 0.615827439703274
Energy: 0.6254365921878772
Energy: 0.5842435863328448
Energy: 0.615827439703274
Energy: 0.525457512152994
Energy: 0.5708489734288903
Energy: 0.49007223734556565
Energy: 0.5602959604453567
Energy: 0.5708489734288903
Energy: 0.49007223734556565
Energy: 0.5254575121516138
Energy: 0.5708489734288903
Energy: 0.49007223734692074
Energy: 0.5602959604439764
Energy: 0.5259314417214965
Energy: 0.5343460862508516
Energy: 0.5421377484568912
Energy: 0.5615412212232329
Energy: 0.5343460862536119
Energy: 0.5650210096556667
Energy: 0.5259314417214965
Energy: 0.5343460862522317
Energy: 0.5421377484568912
Energy: 0.5615412212246131
Energy: 0.4978512172526651
Energy: 0.5849768849864044
Energy: 0.4898519143691202
Energy: 0.49785121725128495
Energy: 0.5849768849877846
Energy: 0.4898519143691202
Energy: 0.4978512172526651
Energy: 0.5849768849877846
Energy: 0.48985191437050035
Energy: 0.49785121725128495
Energy: 0.5335797205314026
Energy: 0.5339919633754119
Energy: 0.5970231646715956
Energy: 0.5495380621714179
Energy: 0.5504218035465154
Energy: 0.5970231646729757
Energy: 0.5335797205314026
Energy: 0.5339919633740318
Energy: 0.5970231646702154
Energy: 0.5495380621755331
Energy: 0.5345562902350722
Energy: 0.6046165177568679
Energy: 0.5166832713535264
Energy: 0.5521781225913249
Energy: 0.6046165177596282
Energy: 0.5166832713507662
Energy: 0.5345562902350722
Energy: 0.6046165177582481
Energy: 0.5166832713521463
Energy: 0.5521781225913249
Energy: 0.5828277231708358
Energy: 0.6249519973593528
Energy: 0.7944773405060414
Energy: 0.5828402856998065
Energy: 0.624951997360733
Energy: 0.7944773405046612
Energy: 0.5828277231708358
Energy: 0.6249519973593528
Energy: 0.7944773405060414
Energy: 0.5828402857011866

minimum gb energy = 0.4891796445613683 eV
minimum distance =  2.50248747165475 Angstroms
sigma value = 105


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

Energy: 0.6421511109970144
Energy: 0.704907192945935
Energy: 0.645239678444014
Energy: 0.6245865444337189
Energy: 0.7049071929466992
Energy: 0.6452396767412274
Energy: 0.6421511109965333
Energy: 0.7049071929454537
Energy: 0.645239678501454
Energy: 0.624586544433266
Energy: 0.6863849542083488
Energy: 0.5621440825492388
Energy: 0.681430553972716
Energy: 0.686384954063461
Energy: 0.5621440825489273
Energy: 0.681430553973169
Energy: 0.6863849542021208
Energy: 0.5621440825489273
Energy: 0.6814305539734803
Energy: 0.6863849542225318
Energy: 0.6576071251542337
Energy: 0.5875427114835735
Energy: 0.628741235328161
Energy: 0.626439814658524
Energy: 0.5875427114832621
Energy: 0.6226904511988498
Energy: 0.6226720293410989
Energy: 0.5875427114843378
Energy: 0.6226904512000955
Energy: 0.6197126979407666
Energy: 0.629679098953086
Energy: 0.6298244884568022
Energy: 0.5624583063099878
Energy: 0.6296790989545017
Energy: 0.6298244884564907
Energy: 0.5624583063121676
Energy: 0.6296790989540204
Energy: 0.6298244884560095
Energy: 0.562458306311375
Energy: 0.6296790989541903
Energy: 0.5927266378459961
Energy: 0.6423759024840369
Energy: 0.649460821130753
Energy: 0.5927266378455149
Energy: 0.6423759024848013
Energy: 0.6494608211298186
Energy: 0.5927266378456848
Energy: 0.6423759024859053
Energy: 0.6494608211295073
Energy: 0.5927266378453734
Energy: 0.6279497578057993
Energy: 0.6716633143280637
Energy: 0.6177270444074657
Energy: 0.6279386295001571
Energy: 0.6716633143283751
Energy: 0.6177270444052858
Energy: 0.6279497578039309
Energy: 0.6716633143275824
Energy: 0.6177270444062201
Energy: 0.6279386295001571
Energy: 0.6663924136067199
Energy: 0.5676652662307945
Energy: 0.6157351532256311
Energy: 0.6663924136065783
Energy: 0.5676652662312474
Energy: 0.5902736196271016
Energy: 0.668119771205285
Energy: 0.5676652662314172
Energy: 0.5820154532127223
Energy: 0.6681197712065305
Energy: 0.6534591125929274
Energy: 0.6352736290365687
Energy: 0.6106726446778187
Energy: 0.6681017229709236
Energy: 0.6352736290379842
Energy: 0.6106726446762617
Energy: 0.6534591125936918
Energy: 0.6352736290384372
Energy: 0.6106726446767146
Energy: 0.6681017229743209
Energy: 0.6166074325674842
Energy: 0.6298865110958904
Energy: 0.6904783435768729
Energy: 0.6346293376547204
Energy: 0.6298865111010145
Energy: 0.6904783435760802
Energy: 0.6166074325632944
Energy: 0.6298865110924651
Energy: 0.6904783435773257
Energy: 0.6346293376475863
Energy: 0.6017133712845539
Energy: 0.6074906106465845
Energy: 0.6135632763471558
Energy: 0.6017345800769681
Energy: 0.6074906106459617
Energy: 0.6135632763473255
Energy: 0.6017133712851767
Energy: 0.6074906106465845
Energy: 0.6135632763471558
Energy: 0.6017345800777326
Energy: 0.6154581788773055
Energy: 0.6788999722355531
Energy: 0.6383665026943869
Energy: 0.61545817887388
Energy: 0.6743462015729492
Energy: 0.6344318539613479
Energy: 0.6154581788776169
Energy: 0.6788999722363458
Energy: 0.6371357681518829
Energy: 0.6154581788743329
Energy: 0.6403803733664752
Energy: 0.6783346045648144
Energy: 0.6153071879098847
Energy: 0.6507707071009179
Energy: 0.6747911329024272
Energy: 0.6153071879108188
Energy: 0.6403803733674095
Energy: 0.6783346045641916
Energy: 0.6153071879111303
Energy: 0.6507707071018521
Energy: 0.6149401028755709
Energy: 0.6168957295415134
Energy: 0.6012044145418197
Energy: 0.6149401028760236
Energy: 0.6168957295424476
Energy: 0.601204414540744
Energy: 0.6149401028760236
Energy: 0.6168957295422778
Energy: 0.6012044145408854
Energy: 0.6149401028758823
Energy: 0.6934930280035235
Energy: 0.6736067451519443
Energy: 0.6340168925792626
Energy: 0.6934930280019664
Energy: 0.6736067451514913
Energy: 0.6340168925773942
Energy: 0.6934930280017966
Energy: 0.6736067451508686
Energy: 0.6340168925773942
Energy: 0.6934930280025893
Energy: 0.6020442242139563
Energy: 0.6162494376222573
Energy: 0.6419636282025986
Energy: 0.6058129813763954
Energy: 0.6162494376227101
Energy: 0.64196362820291
Energy: 0.614030082194475
Energy: 0.6162494376216343
Energy: 0.6419636282010416
Energy: 0.6058129813762538
Energy: 0.6512711715726945
Energy: 0.5669305064434069
Energy: 0.6498253582023776
Energy: 0.6512711715703732
Energy: 0.5670617788297678
Energy: 0.6498253582033118
Energy: 0.6512711715728643
Energy: 0.5669305064441712
Energy: 0.649825358202689
Energy: 0.6512711715863962
Energy: 0.6057494123457136
Energy: 0.664648807370375
Energy: 0.6246613735370061
Energy: 0.6057494123921128
Energy: 0.6646488073610328
Energy: 0.6246613735374591
Energy: 0.6057494123019754
Energy: 0.6646488073745649
Energy: 0.6246613735388745
Energy: 0.6057494123454021
Energy: 0.6499915080997436
Energy: 0.6537873989584753
Energy: 0.6081938561757606
Energy: 0.6499915080989793
Energy: 0.6537873989603437
Energy: 0.6081938561759305
Energy: 0.6499915080977337
Energy: 0.6537873989602022
Energy: 0.6081938561757606
Energy: 0.6499915080991209
Energy: 0.5619557646102078
Energy: 0.6297185688821495
Energy: 0.6297532092245504
Energy: 0.5619557646089621
Energy: 0.6297287751484024
Energy: 0.6297252110115428
Energy: 0.5619557646091037
Energy: 0.6297185688815267
Energy: 0.6297532092243805
Energy: 0.5619557646106607
Energy: 0.6473904945657294
Energy: 0.6287207584226541
Energy: 0.6385111434066734
Energy: 0.6473904945647951
Energy: 0.6287207584235883
Energy: 0.6385111434080605
Energy: 0.6473904945660407
Energy: 0.6287207584215501
Energy: 0.6385111434072962
Energy: 0.6473904945661823
Energy: 0.6641843496194044
Energy: 0.6245520237474592
Energy: 0.63300269839755
Energy: 0.6641843496161488
Energy: 0.6245520237474592
Energy: 0.63300269839755
Energy: 0.6641843496173944
Energy: 0.6245520237477706
Energy: 0.6330026983987956
Energy: 0.66418434962065
Energy: 0.6711799721584513
Energy: 0.6593845239589129
Energy: 0.6249045733083203
Energy: 0.6711799721608009
Energy: 0.6593845239596772
Energy: 0.6336501124139932
Energy: 0.6711799721608009
Energy: 0.6593845239589129
Energy: 0.6249045733080089
Energy: 0.6711799721606311
Energy: 0.5881654751757405
Energy: 0.6763503070678444
Energy: 0.6506100862988385
Energy: 0.5881654751757405
Energy: 0.676350307067533
Energy: 0.6506100867210463
Energy: 0.5881654751746648
Energy: 0.6763503070676745
Energy: 0.6506100867190362
Energy: 0.5881654751741835
Energy: 0.6240751137959616
Energy: 0.6441214660399218
Energy: 0.5885843119492433
Energy: 0.6240751137964429
Energy: 0.6441214660380533
Energy: 0.588584311948762
Energy: 0.624075113796273
Energy: 0.644121466039752
Energy: 0.5885843119489318
Energy: 0.6240751137967543
Energy: 0.629936830129838
Energy: 0.6151788066317627
Energy: 0.6298034279997263
Energy: 0.6299368301299796
Energy: 0.6151788066317627
Energy: 0.629803427999245
Energy: 0.6299368301296682
Energy: 0.6151788066325271
Energy: 0.6298034279995565
Energy: 0.6299368301301494
Energy: 0.638940647447496
Energy: 0.6153987281319816
Energy: 0.6490240014801256
Energy: 0.6389406474696058
Energy: 0.6153987281324346
Energy: 0.6490240014807486
Energy: 0.6389406474243106
Energy: 0.6153987281312173
Energy: 0.649024001480437
Energy: 0.6389406474814392
Energy: 0.590113813387941
Energy: 0.6742269800820692
Energy: 0.6257397947440478
Energy: 0.590113813386837
Energy: 0.6742269800823805
Energy: 0.6257458460470162
Energy: 0.5901138133896396
Energy: 0.6742269800817577
Energy: 0.6257397947429719
Energy: 0.5901138133943107
Energy: 0.5688747051082762
Energy: 0.647058558635941
Energy: 0.6390398851681918
Energy: 0.5688747051070306
Energy: 0.6470585586360825
Energy: 0.6390398851692958
Energy: 0.5688747051071721
Energy: 0.6470585586367054
Energy: 0.6390398851666348
Energy: 0.5688747051076534
Energy: 0.6160894430280116
Energy: 0.6582996013134654
Energy: 0.6692916698185375
Energy: 0.6160894430277002
Energy: 0.658299601313154
Energy: 0.6718798318696343
Energy: 0.6160894430280116
Energy: 0.6582996013125311
Energy: 0.6692916698193303
Energy: 0.6160894430270775
Energy: 0.6280463077916308
Energy: 0.6766141676971174
Energy: 0.6396953175081211
Energy: 0.6280463077917724
Energy: 0.6766141676980516
Energy: 0.624916567468357
Energy: 0.6280463077942636
Energy: 0.6766141676982214
Energy: 0.6396953175082626
Energy: 0.6280463077916308
Energy: 0.617348741880234
Energy: 0.6276712363803663
Energy: 0.601046167638166
Energy: 0.6076038745899585
Energy: 0.6508141605050226
Energy: 0.6010619180570909
Energy: 0.6076038745891942
Energy: 0.6606784475654047
Energy: 0.6010461676375431
Energy: 0.6076038745893355
Energy: 0.6826158151180203
Energy: 0.6315877965523942
Energy: 0.6598029723308851
Energy: 0.6744320473180402
Energy: 0.6315877965534699
Energy: 0.6598029718465382
Energy: 0.6826158151163217
Energy: 0.6315877965536397
Energy: 0.659802971715975
Energy: 0.6744320473180402
Energy: 0.6762227544484668
Energy: 0.6493105070009075
Energy: 0.6602272176909937
Energy: 0.6680051026058395
Energy: 0.6493105070009075
Energy: 0.6399712962134402
Energy: 0.6762227544492595
Energy: 0.6493105070013887
Energy: 0.6602272176911634
Energy: 0.6680051026041408
Energy: 0.616831501025804
Energy: 0.5637834435359601
Energy: 0.614901738769596
Energy: 0.6168315010241053
Energy: 0.5637834435347144
Energy: 0.6149017387688317
Energy: 0.6168315010242469
Energy: 0.563783443534573
Energy: 0.6149017387689732
Energy: 0.616831501025181
Energy: 0.6738198127708943
Energy: 0.6340915838909058
Energy: 0.6940110851397387
Energy: 0.6738198127708943
Energy: 0.6340915838913588
Energy: 0.694011085139116
Energy: 0.6738198127707528
Energy: 0.6340915838904245
Energy: 0.6940110851408429
Energy: 0.6738198127713756
Energy: 0.6125940344637016
Energy: 0.6368820537333113
Energy: 0.5662819062143352
Energy: 0.6125940344633902
Energy: 0.6368820537344154
Energy: 0.5662819062144767
Energy: 0.6125940344641829
Energy: 0.6368820537334812
Energy: 0.5662819062150996
Energy: 0.6125940344649473
Energy: 0.566840975495588
Energy: 0.6903698884437242
Energy: 0.6447330734663949
Energy: 0.5668692100871106
Energy: 0.6903698884421671
Energy: 0.644733073442898
Energy: 0.5668409754970036
Energy: 0.6903698884424785
Energy: 0.6447330735925986
Energy: 0.5668692100877333
Energy: 0.6647290125175067
Energy: 0.5727460624130383
Energy: 0.6054879496651525
Energy: 0.6647290125181294
Energy: 0.5727460624138025
Energy: 0.605487949645704
Energy: 0.6647290125176766
Energy: 0.5727460624133495
Energy: 0.6054879496236225
Energy: 0.6647290125173652
Energy: 0.621398433932619
Energy: 0.6111268904249417
Energy: 0.6224575251232223
Energy: 0.6213984339333833
Energy: 0.6111268904253948
Energy: 0.622457525122458
Energy: 0.6213984339329305
Energy: 0.6111268904243191
Energy: 0.6224575251230806
Energy: 0.6213984339327606
Energy: 0.6297396789526852
Energy: 0.6297922462788315
Energy: 0.5621003314861733
Energy: 0.6297413477733049
Energy: 0.629965735685201
Energy: 0.562100331485409
Energy: 0.6297396789525437
Energy: 0.6297922462764818
Energy: 0.5621003314860319
Energy: 0.6297413477726821
Energy: 0.6111633863067313
Energy: 0.6389001939486815
Energy: 0.632734959476214
Energy: 0.6111633797676389
Energy: 0.6389001939483702
Energy: 0.6327349594458662
Energy: 0.611163384404108
Energy: 0.6389001939489929
Energy: 0.6327349594334101
Energy: 0.6111633811240025
Energy: 0.6250533467107037
Energy: 0.6321921185663839
Energy: 0.664266750758904
Energy: 0.6250533467128835
Energy: 0.6321921185659026
Energy: 0.664266750756894
Energy: 0.6250533467127135
Energy: 0.6321921185654498
Energy: 0.664266750756894
Energy: 0.6250533467122608
Energy: 0.6681840042581257
Energy: 0.6342850464242291
Energy: 0.6775337448095724
Energy: 0.6681840042571915
Energy: 0.6255813568286629
Energy: 0.6604173229319139
Energy: 0.6681840042570499
Energy: 0.6342850464243708
Energy: 0.6522940199301142
Energy: 0.6681840042570499
Energy: 0.6586209119464297
Energy: 0.6496437542409713
Energy: 0.6005907736226234
Energy: 0.658620911945637
Energy: 0.6496437558866294
Energy: 0.6005907736230764
Energy: 0.6586209119461183
Energy: 0.6496437558030599
Energy: 0.6005907736224535
Energy: 0.6586209119471941
Energy: 0.6437986129263462
Energy: 0.5886365469085025
Energy: 0.6240011154352226
Energy: 0.6437986129266575
Energy: 0.5886365469089837
Energy: 0.6240011154356756
Energy: 0.6437986129272804
Energy: 0.5886365469088138
Energy: 0.624001115435534
Energy: 0.6437986129275918
Energy: 0.6126799129289412
Energy: 0.6300895793047359
Energy: 0.6296707963535758
Energy: 0.6126799129283182
Energy: 0.6300895793033486
Energy: 0.6296707963526417
Energy: 0.6126799129292526
Energy: 0.6300895793039715
Energy: 0.6296707963526417
Energy: 0.6126799129289412
Energy: 0.6153037057456591
Energy: 0.625023492781175
Energy: 0.6358002241130405
Energy: 0.6153037057447249
Energy: 0.6250152937042358
Energy: 0.6358002240937334
Energy: 0.6153037057465933
Energy: 0.6250234927819677
Energy: 0.6358002240121737
Energy: 0.6153037057452061
Energy: 0.720790178863548
Energy: 0.6246943205767531
Energy: 0.5900251787740832
Energy: 0.7207901788626138
Energy: 0.6246973548841709
Energy: 0.5900251787740832
Energy: 0.7207901788624439
Energy: 0.6246943205767531
Energy: 0.5900251787751873
Energy: 0.7207901788632366
Energy: 0.5818068626202005
Energy: 0.6390701096950822
Energy: 0.5672534707033519
Energy: 0.5818068626213045
Energy: 0.639070109693525
Energy: 0.5672534707034934
Energy: 0.581806862620512
Energy: 0.639070109693525
Energy: 0.5672534707038048
Energy: 0.581806862620512
Energy: 0.6577700489579885
Energy: 0.6741272117681136
Energy: 0.6162058533666045
Energy: 0.6577700489596869
Energy: 0.6742932284047671
Energy: 0.6162058533672272
Energy: 0.6577700489592341
Energy: 0.6741272117674909
Energy: 0.6162058533655287
Energy: 0.6577700489586111
Energy: 0.6765119194050554
Energy: 0.6411914893944219
Energy: 0.6275962429941354
Energy: 0.6765119194044324
Energy: 0.6496013543931897
Energy: 0.6275962429919555
Energy: 0.676511919404121
Energy: 0.6411914893933461
Energy: 0.6275962429964568
Energy: 0.676511919404121
Energy: 0.6611139079020584
Energy: 0.6004926564346764
Energy: 0.6504621117953733
Energy: 0.6611139078992557
Energy: 0.6004919300338905
Energy: 0.6504621117964774
Energy: 0.6611139078987746
Energy: 0.6004926564338837
Energy: 0.6504621117964774
Energy: 0.661113907899086

minimum gb energy = 0.5619557646089621 eV
minimum distance =  2.49900844608382 Angstroms
sigma value = 165


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

Energy: 0.5956383502561194
Energy: 0.6223454791897257
Energy: 0.6575344380413178
Energy: 0.5730943134835377
Energy: 0.6223454791897257
Energy: 0.6575344380423868
Energy: 0.5956383502577229
Energy: 0.6223454791897257
Energy: 0.6575344380407832
Energy: 0.5730943134835377
Energy: 0.6803210482368561
Energy: 0.5738386893390746
Energy: 0.6945321377264175
Energy: 0.6803210482117575
Energy: 0.5738386893385399
Energy: 0.6945321377258831
Energy: 0.6803210482219135
Energy: 0.5738386893396089
Energy: 0.6945321377264175
Energy: 0.6803210481978598
Energy: 0.625570526696403
Energy: 0.6625447656049127
Energy: 0.5819055093993523
Energy: 0.625570526697472
Energy: 0.6625447656054473
Energy: 0.5819619584304054
Energy: 0.6255705266980066
Energy: 0.6625447656049127
Energy: 0.5819055093982832
Energy: 0.6255705266980066
Energy: 0.7019070632111242
Energy: 0.7183734634211114
Energy: 0.5797741068571731
Energy: 0.701907063197761
Energy: 0.7183734634243186
Energy: 0.5797741068566385
Energy: 0.7019070632073825
Energy: 0.7183734631892223
Energy: 0.5797741068571731
Energy: 0.7019070632047099
Energy: 0.6384119399904692
Energy: 0.6524814163784006
Energy: 0.6178515823716575
Energy: 0.6384119399910039
Energy: 0.6524814163789351
Energy: 0.6178515823673814
Energy: 0.6384119399899348
Energy: 0.6524814163789351
Energy: 0.6178515823711231
Energy: 0.6384119399904692
Energy: 0.5738342298554039
Energy: 0.7212559001788919
Energy: 0.6982181765178911
Energy: 0.5738342298548693
Energy: 0.7212559001783574
Energy: 0.6982181765189602
Energy: 0.5738342298548693
Energy: 0.7212559001783574
Energy: 0.6982181765173566
Energy: 0.5738342298548693
Energy: 0.6221543659995814
Energy: 0.6563876157117174
Energy: 0.6555018438200123
Energy: 0.6221543660006504
Energy: 0.6563876157122519
Energy: 0.6555018438200123
Energy: 0.6221543660011851
Energy: 0.6563876157127865
Energy: 0.6555018438189433
Energy: 0.622154366000116
Energy: 0.6723747156034423
Energy: 0.6330999185536773
Energy: 0.6317902654424743
Energy: 0.6723747156045116
Energy: 0.6330999185568845
Energy: 0.6317902654424743
Energy: 0.6723747156039769
Energy: 0.6330999185563501
Energy: 0.6317902654419396
Energy: 0.6723747156045116
Energy: 0.627642844831513
Energy: 0.7184560018820784
Energy: 0.6562652609295293
Energy: 0.627642844831513
Energy: 0.7184560018820784
Energy: 0.6561320270427481
Energy: 0.627642844831513
Energy: 0.7184560018815438
Energy: 0.6562652609284603
Energy: 0.6276428448320475
Energy: 0.6109401087382716
Energy: 0.7492761971453332
Energy: 0.7188989541088101
Energy: 0.5882668192970295
Energy: 0.7492761970657368
Energy: 0.7188989541088101
Energy: 0.610940108736668
Energy: 0.7492761971586965
Energy: 0.7188989541088101
Energy: 0.5882668192959606
Energy: 0.6250855024161883
Energy: 0.6174676602175316
Energy: 0.6892069545076728
Energy: 0.6168176637722029
Energy: 0.6174676602180662
Energy: 0.6519295231298016
Energy: 0.6250855024161883
Energy: 0.6174676602180662
Energy: 0.6892069545087419
Energy: 0.6168176637727375
Energy: 0.7000357486983111
Energy: 0.5797818691311186
Energy: 0.6994376256824643
Energy: 0.7000357486988456
Energy: 0.5797818691316532
Energy: 0.6994376256824643
Energy: 0.7000357486988456
Energy: 0.5797818691305842
Energy: 0.6994376256819297
Energy: 0.7000357486983111
Energy: 0.6469633865168644
Energy: 0.5818562376831259
Energy: 0.6548943856580822
Energy: 0.6469633865157954
Energy: 0.5818562376831259
Energy: 0.6548943856586167
Energy: 0.6469633865168644
Energy: 0.5818562376836605
Energy: 0.6548943856586167
Energy: 0.6469633865179334
Energy: 0.6520162474044358
Energy: 0.6557548146562311
Energy: 0.5829741105329974
Energy: 0.6520162474044358
Energy: 0.6557548146562311
Energy: 0.5829741105340664
Energy: 0.6520162474060394
Energy: 0.6557548146556965
Energy: 0.5829741105329974
Energy: 0.6520162474049703
Energy: 0.5730943134835377
Energy: 0.6223454791891911
Energy: 0.6575344380407832
Energy: 0.5730943134840721
Energy: 0.6223454791897257
Energy: 0.6575344380413178
Energy: 0.5730943134835377
Energy: 0.6223454791891911
Energy: 0.6575344380434558
Energy: 0.5730943134840721

minimum gb energy = 0.5730943134835377 eV
minimum distance =  2.58320647006265 Angstroms
sigma value = 41


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

Energy: 0.6404533691406409
Energy: 0.5995494612805338
Energy: 0.6000482421958462
Energy: 0.6261495004818337
Energy: 0.5995494612824193
Energy: 0.6000482421923393
Energy: 0.6404533691383784
Energy: 0.5995494612799305
Energy: 0.6000482421931689
Energy: 0.6261495004816452
Energy: 0.5792820698465958
Energy: 0.5338053068954165
Energy: 0.6492322655448913
Energy: 0.5792820698449366
Energy: 0.5338053068960577
Energy: 0.6492322655461358
Energy: 0.579282069846181
Energy: 0.5338053068968872
Energy: 0.6492322655446651
Energy: 0.5792820698439186
Energy: 0.6089395173600023
Energy: 0.559053475873028
Energy: 0.5868776728069515
Energy: 0.6004655223183248
Energy: 0.5590534758711803
Energy: 0.5800062141682987
Energy: 0.6185733394669313
Energy: 0.5590534758703507
Energy: 0.5781340985282152
Energy: 0.6073608962893957
Energy: 0.5590611488769631
Energy: 0.5605234524798726
Energy: 0.5496198935186569
Energy: 0.5590611488806962
Energy: 0.5605234524819465
Energy: 0.5496062043586325
Energy: 0.5590611488829963
Energy: 0.5605234524802872
Energy: 0.5496198935184308
Energy: 0.5590611488848442
Energy: 0.5748123375661507
Energy: 0.6431015770103363
Energy: 0.5496685978694875
Energy: 0.5748123375659623
Energy: 0.6431015770105625
Energy: 0.5496466964146787
Energy: 0.5748123375692806
Energy: 0.6431015770095067
Energy: 0.5496685978703171
Energy: 0.5748123375673951
Energy: 0.5439884934325967
Energy: 0.6509301923325795
Energy: 0.6221118120957785
Energy: 0.5439884934315409
Energy: 0.6509301923329942
Energy: 0.6221118120968343
Energy: 0.5439884934336148
Energy: 0.650930192335483
Energy: 0.6221118120939307
Energy: 0.5439884934325967
Energy: 0.5728945555817007
Energy: 0.601351119162142
Energy: 0.6109538937426297
Energy: 0.5728945555827565
Energy: 0.6013511191625568
Energy: 0.6109538937436477
Energy: 0.5728945555850189
Energy: 0.6013511191601056
Energy: 0.6109538937450807
Energy: 0.572894555582945
Energy: 0.6353805518928818
Energy: 0.5769725948805768
Energy: 0.6109164074352982
Energy: 0.6353805518930703
Energy: 0.5769853775507343
Energy: 0.6109164074361277
Energy: 0.6353805518926556
Energy: 0.5769725948816327
Energy: 0.6109164074336391
Energy: 0.6353805518905816
Energy: 0.6159685153318354
Energy: 0.674915010325638
Energy: 0.6324486845682804
Energy: 0.6159685153883973
Energy: 0.674915010327071
Energy: 0.6324486845680919
Energy: 0.6159685154785945
Energy: 0.674915010327712
Energy: 0.6324486845715988
Energy: 0.6159685152733505
Energy: 0.5437536715806902
Energy: 0.6004877292005442
Energy: 0.5754437663685337
Energy: 0.5437536716472446
Energy: 0.6004877292009589
Energy: 0.5754437663683453
Energy: 0.5437536717967186
Energy: 0.6004877291986588
Energy: 0.5754437663700044
Energy: 0.5437536718983038
Energy: 0.5421465252462175
Energy: 0.5478308579191521
Energy: 0.5478611767814208
Energy: 0.5421465252439173
Energy: 0.5478409809149319
Energy: 0.5478757359069147
Energy: 0.542146525242673
Energy: 0.5478308579195669
Energy: 0.5478611767818355
Energy: 0.5421465252449732
Energy: 0.5908789411698481
Energy: 0.5817668577728488
Energy: 0.5890726244894681
Energy: 0.5908789411708663
Energy: 0.5817056350156706
Energy: 0.5890726244890534
Energy: 0.5908789411731664
Energy: 0.5817668577724339
Energy: 0.5890726244888271
Energy: 0.5908789411710924
Energy: 0.6252245516820303
Energy: 0.5455144631099291
Energy: 0.6457870924307737
Energy: 0.6252245516803712
Energy: 0.5455125296893222
Energy: 0.645787092429718
Energy: 0.6252245516814269
Energy: 0.5455144631095145
Energy: 0.6457870924284735
Energy: 0.6252245516824451
Energy: 0.6057420376096035
Energy: 0.5995755427404966
Energy: 0.5410177043688801
Energy: 0.6057420376118661
Energy: 0.5995755427394408
Energy: 0.5410177043697096
Energy: 0.6057420376106215
Energy: 0.5995755427396671
Energy: 0.541017704370954
Energy: 0.6057420376089625
Energy: 0.5345773431890394
Energy: 0.6071621510756005
Energy: 0.5745444014456822
Energy: 0.5345773431863242
Energy: 0.6071621510745824
Energy: 0.5745444014465118
Energy: 0.5345773431871539
Energy: 0.6071621510762415
Energy: 0.5745444014456822
Energy: 0.5345773431861358
Energy: 0.5600295225389931
Energy: 0.6124142816310147
Energy: 0.6292277159411982
Energy: 0.5600295225395964
Energy: 0.6124142816333149
Energy: 0.6292277161317362
Energy: 0.560029522538352
Energy: 0.6124142816347478
Energy: 0.6292277155290886
Energy: 0.5600295225385784
Energy: 0.5744683141523045
Energy: 0.6231174839402873
Energy: 0.5683120830934653
Energy: 0.5744683141512863
Energy: 0.6231174839419464
Energy: 0.5683120830868285
Energy: 0.574468314153134
Energy: 0.6231174839419464
Energy: 0.5683120830835103
Energy: 0.5744683141523045
Energy: 0.5853457556599736
Energy: 0.6223309599099889
Energy: 0.5623861643451975
Energy: 0.5853457556587291
Energy: 0.6223309599118365
Energy: 0.5623861643476863
Energy: 0.5853457556562405
Energy: 0.6223309599128923
Energy: 0.5623861643462534
Energy: 0.5853457556583145
Energy: 0.6363247122638868
Energy: 0.6002057208535876
Energy: 0.551218529946764
Energy: 0.6362953754745906
Energy: 0.600228315433592
Energy: 0.5512185299465754
Energy: 0.6246112974182007
Energy: 0.6039129478232891
Energy: 0.5512185299457458
Energy: 0.6246112974202745
Energy: 0.5730255887305038
Energy: 0.6132001598710679
Energy: 0.5663956959921389
Energy: 0.5724542297839735
Energy: 0.6132001598704269
Energy: 0.5663956959921389
Energy: 0.5730255887290332
Energy: 0.6132001598708415
Energy: 0.566395695993798
Energy: 0.5724542297852179
Energy: 0.5405291336645475
Energy: 0.6003551646448355
Energy: 0.5733403919429338
Energy: 0.5405129761093764
Energy: 0.6003551646460799
Energy: 0.5733403919410863
Energy: 0.5405291336634916
Energy: 0.6003551646454767
Energy: 0.5733403919452342
Energy: 0.5405129761097912
Energy: 0.6456538920432872
Energy: 0.5408097208099645
Energy: 0.6160108631973394
Energy: 0.6456538920435133
Energy: 0.5408097208076641
Energy: 0.6160108627419035
Energy: 0.6456538920449463
Energy: 0.5408097208097382
Energy: 0.6160108627804787
Energy: 0.6456538920461906
Energy: 0.5638498439230203
Energy: 0.6295962321508463
Energy: 0.5784675646113312
Energy: 0.5574359465418811
Energy: 0.6295962321523169
Energy: 0.5442804670246446
Energy: 0.5638498559456556
Energy: 0.6295962321535613
Energy: 0.5442533562456744
Energy: 0.5638498341075037
Energy: 0.5479773533583847
Energy: 0.5477149125986917
Energy: 0.5425441138490725
Energy: 0.5479773533567256
Energy: 0.5477149125976735
Energy: 0.5425441138492987
Energy: 0.547977353358988
Energy: 0.5477149125957881
Energy: 0.5425441138499021
Energy: 0.5479773533587995
Energy: 0.5819745810997959
Energy: 0.6475630077256411
Energy: 0.5433303053576295
Energy: 0.5819745810991549
Energy: 0.6475630077254148
Energy: 0.5433303053569883
Energy: 0.5819745810979106
Energy: 0.6475630077262444
Energy: 0.5433303053582328
Energy: 0.5819745810985516
Energy: 0.6434948731848814
Energy: 0.6232654748976321
Energy: 0.6158266432373911
Energy: 0.6298258533898323
Energy: 0.6232654748972173
Energy: 0.6158266432384469
Energy: 0.6434948731844667
Energy: 0.6232654748961616
Energy: 0.6158266432405209
Energy: 0.6298258533902472
Energy: 0.6046726988702985
Energy: 0.5352431986683943
Energy: 0.64425501236935
Energy: 0.6046726988679982
Energy: 0.5352431986698273
Energy: 0.6442550123666352
Energy: 0.6046726988692427
Energy: 0.5352431986673385
Energy: 0.6442550123670499
Energy: 0.6046726988698837
Energy: 0.5713201197317404
Energy: 0.5855013111907607
Energy: 0.5416692889240903
Energy: 0.5713201197333995
Energy: 0.5855013111878572
Energy: 0.5420078272183999
Energy: 0.571320119728422
Energy: 0.5855013111895163
Energy: 0.5416692889243164
Energy: 0.571320119729063
Energy: 0.6249289229804615
Energy: 0.6523180962041708
Energy: 0.5458080539823226
Energy: 0.6249289230515787
Energy: 0.6523180962050005
Energy: 0.5458508079443884
Energy: 0.6249289229889836
Energy: 0.65231809620583
Energy: 0.545808053981719
Energy: 0.6249289230381169
Energy: 0.561415565940996
Energy: 0.6603512410544556
Energy: 0.5753971330332976
Energy: 0.5614155659426551
Energy: 0.6603512410555114
Energy: 0.5753971333363939
Energy: 0.56141556594307
Energy: 0.6603512410567558
Energy: 0.57539713315023
Energy: 0.5614155659428436
Energy: 0.559287199448137
Energy: 0.5624547783496561
Energy: 0.5616696155226923
Energy: 0.5592871994485519
Energy: 0.5624547783509005
Energy: 0.561669615523107
Energy: 0.5592871994479108
Energy: 0.5624547783517301
Energy: 0.5616696155229185
Energy: 0.5592871994497962
Energy: 0.6039031923152564
Energy: 0.5929415634535891
Energy: 0.5846780333883207
Energy: 0.6039031923129562
Energy: 0.5929415634531742
Energy: 0.5846780333868501
Energy: 0.6039031923148417
Energy: 0.5929415634535891
Energy: 0.5846780333885092
Energy: 0.6039031923140121
Energy: 0.6423820470729694
Energy: 0.538344528227947
Energy: 0.6002614287272541
Energy: 0.6423820470735727
Energy: 0.5383445282294176
Energy: 0.6002614287257835
Energy: 0.6423820470739875
Energy: 0.5383445282304357
Energy: 0.6002614287260097
Energy: 0.6423820470764762
Energy: 0.6002184391182787
Energy: 0.5753432143258477
Energy: 0.626417747710332
Energy: 0.6002184391188821
Energy: 0.5753432143212849
Energy: 0.6264177477111617
Energy: 0.6002184391184673
Energy: 0.5753432143258477
Energy: 0.6264177477140651
Energy: 0.6002184391170343
Energy: 0.5338552906441454
Energy: 0.6342693901065931
Energy: 0.6043032748967843
Energy: 0.533855290642901
Energy: 0.6340345605290171
Energy: 0.604303274893466
Energy: 0.533855290644334
Energy: 0.6342693901043307
Energy: 0.6043032748936924
Energy: 0.5338552906439191
Energy: 0.5600327896181451
Energy: 0.5477992757290355
Energy: 0.5478728274509863
Energy: 0.5600327896175418
Energy: 0.5478834086414268
Energy: 0.5479841588897573
Energy: 0.5600327896181451
Energy: 0.5477992757288093
Energy: 0.547872827452457
Energy: 0.5600327896189746
Energy: 0.5404521804261163
Energy: 0.5508876935443722
Energy: 0.5590411557816776
Energy: 0.5404521804273607
Energy: 0.5509229912450857
Energy: 0.5590411558119571
Energy: 0.5404521804263049
Energy: 0.5508876935460313
Energy: 0.5590411557682159
Energy: 0.5404521804267197
Energy: 0.6274832900827869
Energy: 0.5489486826468493
Energy: 0.5815164842707515
Energy: 0.6274832900856527
Energy: 0.5489462179256963
Energy: 0.5815164842718075
Energy: 0.6274832900860675
Energy: 0.5489486826476788
Energy: 0.5815164842707515
Energy: 0.627483290083805
Energy: 0.659926452267997
Energy: 0.5992466026883039
Energy: 0.5421610242143037
Energy: 0.6599264522694674
Energy: 0.6052755414472113
Energy: 0.5421610242167924
Energy: 0.6532530150489793
Energy: 0.6070952460491759
Energy: 0.5421610242143037
Energy: 0.6532530150495827

minimum gb energy = 0.5338053068954165 eV
minimum distance =  2.4992227742352 Angstroms
sigma value = 185


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

Energy: 0.41330486498412816
Energy: 0.3399752293520251
Energy: 0.33976094805281976
Energy: 0.32228810551679227
Energy: 0.3399752293520251
Energy: 0.33976094805232737
Energy: 0.4133048649828972
Energy: 0.33997522935177893
Energy: 0.3397609480510964
Energy: 0.3222881055165461
Energy: 0.3810363997166609
Energy: 0.350623148109913
Energy: 0.4478082954963533
Energy: 0.35084742596524343
Energy: 0.3506231481096668
Energy: 0.4284708714024689
Energy: 0.3810363997183842
Energy: 0.35062314811139006
Energy: 0.4478082954968457
Energy: 0.3508474259647511
Energy: 0.3383483565984717
Energy: 0.350406638924967
Energy: 0.3215188228155085
Energy: 0.3211772530124487
Energy: 0.3504066389257055
Energy: 0.33862687020622334
Energy: 0.3383483565984717
Energy: 0.3504066389259517
Energy: 0.32151882281575467
Energy: 0.32117725301072536
Energy: 0.39863917008151517
Energy: 0.3411154003257758
Energy: 0.3583160746833665
Energy: 0.3986391700832385
Energy: 0.3411154003253058
Energy: 0.3530954116766702
Energy: 0.3986391700829923
Energy: 0.3411154003243211
Energy: 0.35831607468164317
Energy: 0.3986391700832385
Energy: 0.34106878102863103
Energy: 0.3487071910866688
Energy: 0.31950373162044093
Energy: 0.34106878102912336
Energy: 0.3487071910878997
Energy: 0.30137980026147054
Energy: 0.34106878103008575
Energy: 0.348707191086915
Energy: 0.3195037316221642
Energy: 0.3410687810293472
Energy: 0.4107150927985241
Energy: 0.444936039344222
Energy: 0.3708311291088765
Energy: 0.41071509279827784
Energy: 0.4433385956541061
Energy: 0.3551555424738181
Energy: 0.4107150927972932
Energy: 0.44493603934348336
Energy: 0.37083112911084604
Energy: 0.41071509279827784
Energy: 0.34104833698361653
Energy: 0.34908634215627116
Energy: 0.4048570273399867
Energy: 0.34104833698337034
Energy: 0.34908634215676354
Energy: 0.40485702734047907
Energy: 0.3410483369848475
Energy: 0.34908634215627116
Energy: 0.40485702734023293
Energy: 0.34104833698435505
Energy: 0.40672248749897916
Energy: 0.3013728332973626
Energy: 0.35095224557626975
Energy: 0.40672248750045625
Energy: 0.3195143547642956
Energy: 0.35095224557700827
Energy: 0.4067224875007025
Energy: 0.3013728332990859
Energy: 0.35095224557700827
Energy: 0.4067224874984867
Energy: 0.4038958701497346
Energy: 0.3428261378052911
Energy: 0.3410587985240348
Energy: 0.3685395560396447
Energy: 0.35447970779935994
Energy: 0.341058798524281
Energy: 0.4038958701499808
Energy: 0.3428261378055373
Energy: 0.34105879852329624
Energy: 0.3685395560406295
Energy: 0.31978170039542714
Energy: 0.32075657384303585
Energy: 0.3503360560249298
Energy: 0.3012810810715497
Energy: 0.30178604206334664
Energy: 0.3503360560254221
Energy: 0.3197817003949347
Energy: 0.3207565738437744
Energy: 0.3503360560249298
Energy: 0.30128108107278073
Energy: 0.3708503485762799
Energy: 0.40494142940978295
Energy: 0.3522799101540876
Energy: 0.3522531662075497
Energy: 0.40494142940929057
Energy: 0.3522799101540876
Energy: 0.3708503485767723
Energy: 0.40494142940732103
Energy: 0.35227991015433374
Energy: 0.3522531662085345
Energy: 0.3559154701532804
Energy: 0.3399752293520251
Energy: 0.33976094805257356
Energy: 0.2826130148913345
Energy: 0.3399752293525175
Energy: 0.33976094805281976
Energy: 0.35591547015278807
Energy: 0.3399752293520251
Energy: 0.339760948051835
Energy: 0.2826130148913345
Energy: 0.36923428974027206
Energy: 0.35062314810917444
Energy: 0.47185268676294095
Energy: 0.35084742596499724
Energy: 0.35062314810917444
Energy: 0.435718378525885
Energy: 0.3692342897383026
Energy: 0.35062314811065154
Energy: 0.47185268676441805
Energy: 0.3508474259647511
Energy: 0.3197993356794923
Energy: 0.3504066389247208
Energy: 0.3020164096029333
Energy: 0.3012968019249578
Energy: 0.35040663892619783
Energy: 0.32021020567728636
Energy: 0.31979933567973845
Energy: 0.3504066389259517
Energy: 0.3020164096029333
Energy: 0.30129680192545016
Energy: 0.398639170081269
Energy: 0.34111540032602206
Energy: 0.3583160746838589
Energy: 0.39863917008348465
Energy: 0.341115400325552
Energy: 0.3530954116761778
Energy: 0.39863917008348465
Energy: 0.341115400325552
Energy: 0.3583160746828741
Energy: 0.3986391700824999
Energy: 0.3410687810288772
Energy: 0.34870719108716114
Energy: 0.3195037316211795
Energy: 0.3410687810288772
Energy: 0.3487071910876535
Energy: 0.30137980026171673
Energy: 0.34106878102983956
Energy: 0.3487071910878997
Energy: 0.3195037316221642
Energy: 0.3410687810293472
Energy: 0.4107150927987703
Energy: 0.4502132398789622
Energy: 0.3708311291086303
Energy: 0.4107150927972932
Energy: 0.44714325954956713
Energy: 0.3551555424735719
Energy: 0.4107150927980317
Energy: 0.45021323987920847
Energy: 0.37083112911133836
Energy: 0.4107150927990164
Energy: 0.34104833698410886
Energy: 0.3494582263913963
Energy: 0.4048570273399867
Energy: 0.34104833698312415
Energy: 0.3494582263896953
Energy: 0.40485702734023293
Energy: 0.3410483369853399
Energy: 0.3494582263904115
Energy: 0.40485702734023293
Energy: 0.34104833698460124
Energy: 0.40672248750045625
Energy: 0.3013738412110402
Energy: 0.3509522455767621
Energy: 0.40672248749971773
Energy: 0.3195149188299463
Energy: 0.35095224557774685
Energy: 0.40672248749971773
Energy: 0.301373841209317
Energy: 0.35095224557799304
Energy: 0.4067224874999639
Energy: 0.4038958701492423
Energy: 0.3428261378055373
Energy: 0.3410587985237886
Energy: 0.37118947874182817
Energy: 0.3545952419255021
Energy: 0.3410587985237886
Energy: 0.4038958701499808
Energy: 0.3428261378052911
Energy: 0.34105879852280385
Energy: 0.37118947874232056
Energy: 0.33832836376018255
Energy: 0.3395241256292173
Energy: 0.3503360560256683
Energy: 0.32114482581405396
Energy: 0.32184032029949783
Energy: 0.3503360560244374
Energy: 0.338328363759444
Energy: 0.3395241256294635
Energy: 0.3503360560244374
Energy: 0.32114482581257686
Energy: 0.3809644307194588
Energy: 0.40494142940855193
Energy: 0.35227991015433374
Energy: 0.36367361559136985
Energy: 0.40494142940978295
Energy: 0.3522799101535952
Energy: 0.3809644307194588
Energy: 0.40494142940756717
Energy: 0.35227991015457993
Energy: 0.3636736155933393
Energy: 0.4133048649828972
Energy: 0.3399752293520251
Energy: 0.33976094805281976
Energy: 0.32228810551679227
Energy: 0.33997522935177893
Energy: 0.33976094805232737
Energy: 0.4133048649828972
Energy: 0.33997522935177893
Energy: 0.33976094805158885
Energy: 0.32228810551679227
Energy: 0.3810363997166609
Energy: 0.350623148109913
Energy: 0.4478082954968457
Energy: 0.3508474259645049
Energy: 0.35062314811040535
Energy: 0.4284708714024689
Energy: 0.3810363997178918
Energy: 0.35062314811089773
Energy: 0.4478082954968457
Energy: 0.3508474259654896
Energy: 0.33834835659748697
Energy: 0.350406638924967
Energy: 0.3215188228152623
Energy: 0.32117725301220246
Energy: 0.3504066389257055
Energy: 0.3386268702057309
Energy: 0.3383483565984717
Energy: 0.35040663892619783
Energy: 0.3215188228167394
Energy: 0.32117725301097155
Energy: 0.39863917008151517
Energy: 0.3411154003253058
Energy: 0.3583160746823817
Energy: 0.39863917008348465
Energy: 0.3411154003253058
Energy: 0.3530954116759316
Energy: 0.39863917008274613
Energy: 0.3411154003253058
Energy: 0.3583160746828741
Energy: 0.3986391700829923
Energy: 0.34106878102838484
Energy: 0.34870719108740733
Energy: 0.3195037316206871
Energy: 0.34106878102813865
Energy: 0.3487071910878997
Energy: 0.3013798002619629
Energy: 0.3410687810295933
Energy: 0.34870719108740733
Energy: 0.31950373162167184
Energy: 0.34106878102983956
Energy: 0.4107150927985241
Energy: 0.4449360393444681
Energy: 0.3708311291091227
Energy: 0.41071509279704693
Energy: 0.4433385956545985
Energy: 0.3551555424735719
Energy: 0.4107150927975393
Energy: 0.44493603934397574
Energy: 0.37083112911084604
Energy: 0.4107150927987703
Energy: 0.3410483369850937
Energy: 0.34908634215700973
Energy: 0.40485702734023293
Energy: 0.34104833698410886
Energy: 0.3490863421572559
Energy: 0.40485702734047907
Energy: 0.3410483369853399
Energy: 0.34908634215627116
Energy: 0.40485702734047907
Energy: 0.3410483369848475
Energy: 0.4067224875002101
Energy: 0.3013728332973626
Energy: 0.35095224557626975
Energy: 0.4067224875002101
Energy: 0.3195143547650342
Energy: 0.3509522455784854
Energy: 0.40672248749971773
Energy: 0.3013728332985935
Energy: 0.35095224557774685
Energy: 0.4067224874999639
Energy: 0.4038958701492423
Energy: 0.3428261378057834
Energy: 0.34105879852354243
Energy: 0.3685395560398909
Energy: 0.354479707798129
Energy: 0.3410587985240348
Energy: 0.403895870150227
Energy: 0.3428261378050449
Energy: 0.3410587985237886
Energy: 0.3685395560389062
Energy: 0.3197817003951809
Energy: 0.3207565738437744
Energy: 0.3503360560249298
Energy: 0.3012810810717959
Energy: 0.30178604206310045
Energy: 0.3503360560254221
Energy: 0.3197817003946885
Energy: 0.3207565738435282
Energy: 0.3503360560249298
Energy: 0.30128108107228835
Energy: 0.3708503485762799
Energy: 0.40494142940978295
Energy: 0.3522799101540876
Energy: 0.352253166206565
Energy: 0.40494142940929057
Energy: 0.3522799101540876
Energy: 0.37085034857726473
Energy: 0.4049414294078134
Energy: 0.35227991015433374
Energy: 0.3522531662077959

minimum gb energy = 0.2826130148913345 eV
minimum distance =  2.65691227273788 Angstroms
sigma value = 33


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

Energy: 0.5322820116085084
Energy: 0.5763074604548349
Energy: 0.5749037682695289
Energy: 0.522849768137489
Energy: 0.5763074604534835
Energy: 0.5749037682695289
Energy: 0.5322820116071569
Energy: 0.5763074604548349
Energy: 0.5749037682695289
Energy: 0.522849768137489
Energy: 0.5632641947888731
Energy: 0.5112032925352974
Energy: 0.5677476826723703
Energy: 0.5632641947915762
Energy: 0.5112032925339459
Energy: 0.5677476826723703
Energy: 0.5632641947915762
Energy: 0.5112032925325943
Energy: 0.5677476826723703
Energy: 0.5632641947888731
Energy: 0.5417927021545211
Energy: 0.5232907865757788
Energy: 0.5241005508894793
Energy: 0.5443423999887783
Energy: 0.5232907865757788
Energy: 0.5230397844323222
Energy: 0.5448936059186985
Energy: 0.5232907865757788
Energy: 0.5230397844323222
Energy: 0.5448936059200499
Energy: 0.5759427507839489
Energy: 0.5112290170733585
Energy: 0.5798789518742063
Energy: 0.5759427507839489
Energy: 0.5112290170733585
Energy: 0.5798789518755578
Energy: 0.5759427507866518
Energy: 0.5112290170733585
Energy: 0.5798789518755578
Energy: 0.5759427507839489
Energy: 0.5790154019813624
Energy: 0.562343493107455
Energy: 0.5151732086766418
Energy: 0.579015401982714
Energy: 0.562343493104752
Energy: 0.5151732086766418
Energy: 0.579015401982714
Energy: 0.562343493107455
Energy: 0.5151732086752903
Energy: 0.579015401982714
Energy: 0.562217721563844
Energy: 0.5858250762774726
Energy: 0.5784068700534981
Energy: 0.5622177215624925
Energy: 0.5858250762774726
Energy: 0.5784068700548497
Energy: 0.5622177215651954
Energy: 0.5858250762774726
Energy: 0.5784068700548497
Energy: 0.562217721563844
Energy: 0.510680416213226
Energy: 0.5688464355483558
Energy: 0.5756799031929885
Energy: 0.5106930646639609
Energy: 0.5688464355483558
Energy: 0.5756799031929885
Energy: 0.510680416213226
Energy: 0.5688464355497073
Energy: 0.5756799031929885
Energy: 0.5106930646626094
Energy: 0.5260552194985512
Energy: 0.5112145434237814
Energy: 0.552845411249402
Energy: 0.5260552195026057
Energy: 0.5112145434251328
Energy: 0.5528454112480505
Energy: 0.5260552195066602
Energy: 0.5112145434264844
Energy: 0.5528454112480505
Energy: 0.5260552194890906
Energy: 0.5700299177950625
Energy: 0.5038295002268847
Energy: 0.57784789793881
Energy: 0.5700299177950625
Energy: 0.5038295002268847
Energy: 0.57784789793881
Energy: 0.570029917796414
Energy: 0.5038295002282362
Energy: 0.5778478979374585
Energy: 0.570029917796414
Energy: 0.5726997703990203
Energy: 0.5111245653865167
Energy: 0.6113451326670372
Energy: 0.5726997703990203
Energy: 0.5111245653851653
Energy: 0.6113451326656857
Energy: 0.5726997703976687
Energy: 0.5111245653865167
Energy: 0.6113451326670372
Energy: 0.5726997703976687
Energy: 0.5778794743132019
Energy: 0.5757346455874798
Energy: 0.5258052281980256
Energy: 0.5778794743132019
Energy: 0.5757346455888311
Energy: 0.5257927145854993
Energy: 0.5778794743118503
Energy: 0.5757346455901827
Energy: 0.5258052281980256
Energy: 0.5778794743132019
Energy: 0.5111275069021255
Energy: 0.5883628228297868
Energy: 0.5763495229475838
Energy: 0.5111275069034771
Energy: 0.5884094300310645
Energy: 0.5749680817685471
Energy: 0.5111275069034771
Energy: 0.5883628228297868
Energy: 0.5763495229462323
Energy: 0.5111275069034771
Energy: 0.5218121568693789
Energy: 0.5230006753057533
Energy: 0.5229805048870341
Energy: 0.5218121568693789
Energy: 0.5231140247092599
Energy: 0.5229757060692456
Energy: 0.5218121568693789
Energy: 0.5230006753057533
Energy: 0.5229805048870341
Energy: 0.5218121568707303
Energy: 0.5111938471860976
Energy: 0.5782789111617801
Energy: 0.5457234277945572
Energy: 0.5111938471874492
Energy: 0.5782789111617801
Energy: 0.5457234277932057
Energy: 0.5111938471860976
Energy: 0.5782789111604286
Energy: 0.5457234277945572
Energy: 0.5111938471847461
Energy: 0.5786770722078504
Energy: 0.5236190168052017
Energy: 0.5759631960783113
Energy: 0.5786770722064989
Energy: 0.5236190168052017
Energy: 0.5759631960810142
Energy: 0.5786770722064989
Energy: 0.5236190168052017
Energy: 0.5759631960783113
Energy: 0.5786770722078504
Energy: 0.5737517155778307
Energy: 0.561944988702421
Energy: 0.5111920520926161
Energy: 0.5737517155778307
Energy: 0.5619449887037726
Energy: 0.5111920520939677
Energy: 0.5737517155805337
Energy: 0.561944988702421
Energy: 0.5111920520939677
Energy: 0.5737517155791821
Energy: 0.5734156852976581
Energy: 0.576635012521269
Energy: 0.5048713100667216
Energy: 0.5734156852976581
Energy: 0.576635012521269
Energy: 0.5048713100680732
Energy: 0.5734156852990097
Energy: 0.576635012518566
Energy: 0.5048713100707761
Energy: 0.5734156852990097
Energy: 0.5519701197105499
Energy: 0.577281650189362
Energy: 0.5173082456045848
Energy: 0.5519701197254163
Energy: 0.5772816501907134
Energy: 0.5173082456099908
Energy: 0.5519701196659751
Energy: 0.577281650186659
Energy: 0.5173082456437781
Energy: 0.5519701197632336
Energy: 0.5123542434594164
Energy: 0.5898683180970793
Energy: 0.5625990721606503
Energy: 0.5123542434607679
Energy: 0.5898683180957278
Energy: 0.5625990721606503
Energy: 0.5123542434607679
Energy: 0.5898683180957278
Energy: 0.5625990721606503
Energy: 0.5123542434594164
Energy: 0.5395736085404995
Energy: 0.5745526636594701
Energy: 0.5857891228805997
Energy: 0.5395736085404995
Energy: 0.5745526636594701
Energy: 0.5857891228792481
Energy: 0.5395736085391479
Energy: 0.5745526636594701
Energy: 0.5857891228778968
Energy: 0.5395736085391479
Energy: 0.5754132099085317
Energy: 0.5135956439004525
Energy: 0.568743321042165
Energy: 0.5754132099085317
Energy: 0.5135956207393676
Energy: 0.568743321039462
Energy: 0.5754132099085317
Energy: 0.5135956439004525
Energy: 0.568743321039462
Energy: 0.5754132099098832
Energy: 0.5538940480273075
Energy: 0.6073161587413624
Energy: 0.5106685233274632
Energy: 0.5538940480300104
Energy: 0.6073161587413624
Energy: 0.5106685233261117
Energy: 0.5538940480300104
Energy: 0.6073161587413624
Energy: 0.5106685233261117
Energy: 0.5538940480286588
Energy: 0.5137127093803173
Energy: 0.5145719316144757
Energy: 0.5034889081974048
Energy: 0.5137127093803173
Energy: 0.5151204295864037
Energy: 0.5034889081974048
Energy: 0.5137127093816689
Energy: 0.5160920266857567
Energy: 0.5034889082001078
Energy: 0.5137127093816689
Energy: 0.5658218553975332
Energy: 0.5695881179165206
Energy: 0.5110440086302436
Energy: 0.5658218553988845
Energy: 0.5695881179165206
Energy: 0.5110440086329465
Energy: 0.5658218553975332
Energy: 0.5695881179178721
Energy: 0.511044008631595
Energy: 0.5658218553975332
Energy: 0.525095624068485
Energy: 0.5783362128632851
Energy: 0.5749300671999955
Energy: 0.5251025928652623
Energy: 0.5783362128646365
Energy: 0.5749300671999955
Energy: 0.525095624068485
Energy: 0.5783362128632851
Energy: 0.5749300672013471
Energy: 0.5251025928666138
Energy: 0.5911341993843533
Energy: 0.511162383770833
Energy: 0.5993009948001005
Energy: 0.5911341993843533
Energy: 0.5111623837681301
Energy: 0.5993009948014519
Energy: 0.5911341993857047
Energy: 0.5111623837681301
Energy: 0.5993009948028034
Energy: 0.5911341993843533
Energy: 0.5422723264261258
Energy: 0.5232284008029829
Energy: 0.5246846715180036
Energy: 0.5444465083085229
Energy: 0.5232284008029829
Energy: 0.5236430691716134
Energy: 0.5446681071852874
Energy: 0.5232284008029829
Energy: 0.5313774220485447
Energy: 0.544939727829888
Energy: 0.5470685562413914
Energy: 0.511428221837469
Energy: 0.5776951921407916
Energy: 0.5470685562400399
Energy: 0.511428221837469
Energy: 0.57769519213944
Energy: 0.5470685562400399
Energy: 0.511428221840172
Energy: 0.57769519213944
Energy: 0.5470685562413914
Energy: 0.5791608129993927
Energy: 0.5733403197143995
Energy: 0.5555990063917848
Energy: 0.5791608129993927
Energy: 0.5733403197171024
Energy: 0.5555990063931364
Energy: 0.5791608130007441
Energy: 0.5733403197171024
Energy: 0.5555990063931364
Energy: 0.5791608129993927
Energy: 0.5290487109227899
Energy: 0.5780849488035723
Energy: 0.5654003382991822
Energy: 0.5290487109241415
Energy: 0.5780849488049238
Energy: 0.5654003383018853
Energy: 0.5290487109241415
Energy: 0.5780849488049238
Energy: 0.5654003382991822
Energy: 0.5290487109214385
Energy: 0.5119425771635661
Energy: 0.5723764874928697
Energy: 0.5760909245046086
Energy: 0.5119425771608631
Energy: 0.5723764874928697
Energy: 0.5760909245046086
Energy: 0.5119425771649175
Energy: 0.5723764874955481
Energy: 0.5760909245032572
Energy: 0.5119425771635661
Energy: 0.5237005165628977
Energy: 0.5317765654584755
Energy: 0.5890401109840431
Energy: 0.5237005165642492
Energy: 0.531776565457124
Energy: 0.589040110986746
Energy: 0.5237005165656007
Energy: 0.531776565457124
Energy: 0.589040110986746
Energy: 0.5237005165656007
Energy: 0.5632699478525471
Energy: 0.5122936351103866
Energy: 0.5902342020864719
Energy: 0.5632699478525471
Energy: 0.5122936351117382
Energy: 0.590234202089175
Energy: 0.5632699478525471
Energy: 0.5122936351090353
Energy: 0.590234202089175
Energy: 0.5632699478511956
Energy: 0.5723979917703639
Energy: 0.562751666048277
Energy: 0.5860580601876864
Energy: 0.5723979917703639
Energy: 0.5627516660509799
Energy: 0.5860580601876864
Energy: 0.5723979917717154
Energy: 0.5627516660496285
Energy: 0.5860580601876864
Energy: 0.5723979917717154
Energy: 0.569326446781149
Energy: 0.5755045819322128
Energy: 0.5483635357255482
Energy: 0.5693264467825006
Energy: 0.5755045819322128
Energy: 0.5483647070162883
Energy: 0.569326446781149
Energy: 0.5755045819322128
Energy: 0.5483635357241966
Energy: 0.569326446781149
Energy: 0.510568300182191
Energy: 0.5545039163874139
Energy: 0.6034156996195428
Energy: 0.510568300182191
Energy: 0.5545039163874139
Energy: 0.6034156996195428
Energy: 0.5105683001808395
Energy: 0.5545039163874139
Energy: 0.6034156996195428
Energy: 0.5105683001808395
Energy: 0.5219123593432654
Energy: 0.5136266010943388
Energy: 0.5134490638012535
Energy: 0.521912359344617
Energy: 0.5136266010929872
Energy: 0.5134490638026049
Energy: 0.5219123593432654
Energy: 0.5136266010916604
Energy: 0.5134490638012535
Energy: 0.5219123593432654
Energy: 0.5111651571661957
Energy: 0.5438392871930291
Energy: 0.5471522997135521
Energy: 0.5111651571648442
Energy: 0.5426153051801547
Energy: 0.5471522997135521
Energy: 0.5111651571648442
Energy: 0.5438392871930291
Energy: 0.5471522997108492
Energy: 0.5111651571661957
Energy: 0.5748327556520428
Energy: 0.5256569420163257
Energy: 0.5760889717022329
Energy: 0.5748327556520428
Energy: 0.5256433671610173
Energy: 0.5760889717035845
Energy: 0.5748327556520428
Energy: 0.5256569420176773
Energy: 0.5760889717022329
Energy: 0.5748327556520428
Energy: 0.6007100496924204
Energy: 0.5699101605916085
Energy: 0.5112143141586601
Energy: 0.600710049693772
Energy: 0.569910160590257
Energy: 0.5112143141586601
Energy: 0.600710049693772
Energy: 0.5699101605875541
Energy: 0.5112143141586601
Energy: 0.6007100496951234
Energy: 0.5600503950030715
Energy: 0.54093190345156
Energy: 0.5468387827131422
Energy: 0.5600203543773575
Energy: 0.5412176315127714
Energy: 0.5468387827131422
Energy: 0.5600503950030715
Energy: 0.5409319034502331
Energy: 0.5468387827131422
Energy: 0.5600203543773575
Energy: 0.5546531164235085
Energy: 0.5215108899480647
Energy: 0.5172832587632089
Energy: 0.548762008315703
Energy: 0.5215108916083148
Energy: 0.517283258710525
Energy: 0.5546531164235085
Energy: 0.521510891883897
Energy: 0.5172832588240015
Energy: 0.548762008315703
Energy: 0.5631640870357879
Energy: 0.625729071766879
Energy: 0.5736389466862987
Energy: 0.5568894992688441
Energy: 0.625729071766879
Energy: 0.5736389466862987
Energy: 0.5631640870344364
Energy: 0.6257290717695818
Energy: 0.5736389466862987
Energy: 0.5568894992715472
Energy: 0.5655896765766442
Energy: 0.5715376082251006
Energy: 0.5776757967684752
Energy: 0.5655896765766442
Energy: 0.5715376082251006
Energy: 0.5776757967684752
Energy: 0.5655896765766442
Energy: 0.5715376082264522
Energy: 0.5776757967671238
Energy: 0.5655896765766442
Energy: 0.5790455286578164
Energy: 0.5126996104612517
Energy: 0.5722171650832579
Energy: 0.5790455286591679
Energy: 0.5126996104626033
Energy: 0.5722171650846094
Energy: 0.5790455286578164
Energy: 0.5126996104626033
Energy: 0.5722171650846094
Energy: 0.5790455286605194
Energy: 0.5626667946368372
Energy: 0.5685012054013806
Energy: 0.512547510606706
Energy: 0.5626667946395403
Energy: 0.5685012054013806
Energy: 0.512547510606706
Energy: 0.5626667946381888
Energy: 0.5685012054027322
Energy: 0.512547510606706
Energy: 0.5626667946381888
Energy: 0.531545377632389
Energy: 0.5252837250388804
Energy: 0.5124497913775746
Energy: 0.5367808751379117
Energy: 0.527045183407053
Energy: 0.5124497913775746
Energy: 0.5315453776310375
Energy: 0.5275728458127097
Energy: 0.5124497913775746
Energy: 0.5315453776310375
Energy: 0.5684406533150856
Energy: 0.5695208004694616
Energy: 0.5146910314742291
Energy: 0.5684406533137343
Energy: 0.5695208004708131
Energy: 0.5146910314769321
Energy: 0.5684406533123828
Energy: 0.5695208004694616
Energy: 0.5146910314769321
Energy: 0.5684406533123828
Energy: 0.5484834038008806
Energy: 0.5705387524621296
Energy: 0.584617037242651
Energy: 0.5484901723761386
Energy: 0.5705387524621296
Energy: 0.584617037242651
Energy: 0.5484834037995537
Energy: 0.5705387524621296
Energy: 0.584617037242651
Energy: 0.5484901723761386
Energy: 0.6117188407440332
Energy: 0.5107062470761715
Energy: 0.5887847291867694
Energy: 0.6117188407453846
Energy: 0.51070624707482
Energy: 0.5887847291867694
Energy: 0.6117188407453846
Energy: 0.51070624707482
Energy: 0.5887847291881209
Energy: 0.6117188407453846
Energy: 0.5086552931771553
Energy: 0.5232036960716797
Energy: 0.5116560305769585
Energy: 0.5103484613337083
Energy: 0.5232036960730312
Energy: 0.5120868128584868
Energy: 0.5086552931758038
Energy: 0.5232036960730312
Energy: 0.5122027847867311
Energy: 0.50865036528811
Energy: 0.547551176383938
Energy: 0.5211176455037962
Energy: 0.547245837937
Energy: 0.547551176383938
Energy: 0.5211176455051478
Energy: 0.5476225830742772
Energy: 0.5475511763825864
Energy: 0.5211176455037962
Energy: 0.5472458379383515
Energy: 0.547551176383938
Energy: 0.5742148307943569
Energy: 0.5872314849144006
Energy: 0.515201841744178
Energy: 0.5742148307943569
Energy: 0.5872314849144006
Energy: 0.5152078101330153
Energy: 0.5742148307930054
Energy: 0.5872314849144006
Energy: 0.5152018417428265
Energy: 0.5742148307930054
Energy: 0.5292157837677814
Energy: 0.6026830315741175
Energy: 0.5756220754558131
Energy: 0.5292157837650784
Energy: 0.6026830315741175
Energy: 0.5756220754544616
Energy: 0.5292157837650784
Energy: 0.6026830315741175
Energy: 0.5756220754544616
Energy: 0.52921578376643
Energy: 0.5428550155929007
Energy: 0.5602329664439123
Energy: 0.5519546744668803
Energy: 0.5428550155929007
Energy: 0.560280663499931
Energy: 0.5519558501061415
Energy: 0.5428550155942521
Energy: 0.5602329664439123
Energy: 0.5519546744695832
Energy: 0.5428550155942521
Energy: 0.5162901501955975
Energy: 0.5682759545559539
Energy: 0.5282434157943113
Energy: 0.5162901501955975
Energy: 0.5682759545546024
Energy: 0.5282434157929597
Energy: 0.5162901501955975
Energy: 0.5682759545546024
Energy: 0.5282434157929597
Energy: 0.5162901501955975
Energy: 0.5788766598168888
Energy: 0.5537367783866142
Energy: 0.6268917674260073
Energy: 0.5788766598182404
Energy: 0.5537367783866142
Energy: 0.6268917674273589
Energy: 0.5788766598168888
Energy: 0.5537367783866142
Energy: 0.6268917674273589
Energy: 0.5788766598195919
Energy: 0.5744853962266442
Energy: 0.5519936854212739
Energy: 0.5764578044228661
Energy: 0.5744853962266442
Energy: 0.5519936854199223
Energy: 0.5764578044242175
Energy: 0.5744853962252926
Energy: 0.5519936854199223
Energy: 0.5764578044228661
Energy: 0.5744853962266442
Energy: 0.572767220009532
Energy: 0.5836432212105328
Energy: 0.5667284625459453
Energy: 0.572767220009532
Energy: 0.5836432212118844
Energy: 0.5667284625459453
Energy: 0.5727672200122349
Energy: 0.5836432212105328
Energy: 0.5667284625459453
Energy: 0.5727672200108834
Energy: 0.5123857039081003
Energy: 0.5630519937420582
Energy: 0.578162735005915
Energy: 0.5123857039081003
Energy: 0.5630519937393552
Energy: 0.5781627350072664
Energy: 0.5123857039081003
Energy: 0.5630519937407067
Energy: 0.578162735008618
Energy: 0.5123857039081003

minimum gb energy = 0.5034889081974048 eV
minimum distance =  2.49922220475207 Angstroms
sigma value = 219


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

Energy: 0.5895185742431117
Energy: 0.6759976560145075
Energy: 0.6750084644901853
Energy: 0.5895185742431117
Energy: 0.6759976560145075
Energy: 0.6750084644901853
Energy: 0.5895185742431117
Energy: 0.6759976560145075
Energy: 0.6750084644901853
Energy: 0.5895185742431117
Energy: 0.6152352682401674
Energy: 0.6144383176823056
Energy: 0.6516998919204265
Energy: 0.6152352682401674
Energy: 0.6144383176823056
Energy: 0.6516998919204265
Energy: 0.6152352682410618
Energy: 0.6144383176814112
Energy: 0.651699891919532
Energy: 0.6152352682401674
Energy: 0.5994358604508853
Energy: 0.6139045025647732
Energy: 0.5999995226395666
Energy: 0.5994358604517797
Energy: 0.6139045025674567
Energy: 0.5999995226449332
Energy: 0.5994358604508853
Energy: 0.6139045025862195
Energy: 0.5999995226377776
Energy: 0.5994358604508853
Energy: 0.6516168936654033
Energy: 0.6148382995646813
Energy: 0.6512894147164368
Energy: 0.6516168936654033
Energy: 0.6148382995646813
Energy: 0.6512894147155422
Energy: 0.6516168936654033
Energy: 0.6148382995646813
Energy: 0.6512894147155422
Energy: 0.6516168936654033
Energy: 0.6454665247739076
Energy: 0.6910395100044657
Energy: 0.6146338003682839
Energy: 0.6454665247730133
Energy: 0.6910395100044657
Energy: 0.6146338003682839
Energy: 0.6454665247739076
Energy: 0.6910395100044657
Energy: 0.6146338003682839
Energy: 0.6454665247730133
Energy: 0.6105410429273523
Energy: 0.6516850248317351
Energy: 0.6152998242349484
Energy: 0.610541042926458
Energy: 0.6516850248317351
Energy: 0.6152998242358428
Energy: 0.6105410429273523
Energy: 0.6516850248317351
Energy: 0.6152998242349484
Energy: 0.610541042926458
Energy: 0.6512274413314258
Energy: 0.6338271539733673
Energy: 0.6070478435892255
Energy: 0.6512274413323202
Energy: 0.6338271539733673
Energy: 0.5969330610073639
Energy: 0.6512274413314258
Energy: 0.6338271539733673
Energy: 0.5969330610082583
Energy: 0.6512274413323202
Energy: 0.5894813391431761
Energy: 0.7171998772042497
Energy: 0.6750376674421256
Energy: 0.5894813391422817
Energy: 0.7171998772042497
Energy: 0.6750376674421256
Energy: 0.5894813391431761
Energy: 0.7171998772033552
Energy: 0.6750376674421256
Energy: 0.5894813391422817
Energy: 0.6221075566450964
Energy: 0.6239644123387643
Energy: 0.6923118593496279
Energy: 0.622107556644202
Energy: 0.6239644123387643
Energy: 0.6923118593496279
Energy: 0.622107556644202
Energy: 0.6239644123387643
Energy: 0.6923118593496279
Energy: 0.6221075566450964

minimum gb energy = 0.5894813391422817 eV
minimum distance =  2.57367441287143 Angstroms
sigma value = 15


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

Energy: 0.6568625513424069
Energy: 0.701607278879395
Energy: 0.6992863735453094
Energy: 0.6441202634162666
Energy: 0.7016072788826941
Energy: 0.6992863735453094
Energy: 0.6568625513440565
Energy: 0.7016072788826941
Energy: 0.6992863735453094
Energy: 0.6441202634162666
Energy: 0.661652508597841
Energy: 0.6379143404304246
Energy: 0.7026886373663923
Energy: 0.661652508597841
Energy: 0.6379143404271252
Energy: 0.702688637368042
Energy: 0.6616525085994907
Energy: 0.6379143404254758
Energy: 0.7026886373663923
Energy: 0.661652508597841
Energy: 0.6457388953826424
Energy: 0.6834751263481815
Energy: 0.6423351913302879
Energy: 0.6374799137698506
Energy: 0.683475126346532
Energy: 0.6423351913286385
Energy: 0.637479913768201
Energy: 0.683475126346532
Energy: 0.6423351913302879
Energy: 0.6374799137698506
Energy: 0.6964582067005912
Energy: 0.6313990421788542
Energy: 0.6535699588307213
Energy: 0.6964582067038904
Energy: 0.6313850034961906
Energy: 0.6535699588323708
Energy: 0.6964582067038904
Energy: 0.6313990421854527
Energy: 0.6535699588307213
Energy: 0.6964582067022409
Energy: 0.7119905119243263
Energy: 0.6897334279940502
Energy: 0.6894451059923911
Energy: 0.7119905119276255
Energy: 0.6897334279956997
Energy: 0.6894451059923911
Energy: 0.7119905119292751
Energy: 0.6897334279956997
Energy: 0.6894451059907415
Energy: 0.7119905119276255
Energy: 0.6903427114153226
Energy: 0.6289265217433514
Energy: 0.6315359440297705
Energy: 0.6903427114037755
Energy: 0.6289265217433514
Energy: 0.6315503120236716
Energy: 0.690342711413673
Energy: 0.6289265217417018
Energy: 0.6315359440264714
Energy: 0.6903427113971771
Energy: 0.6393384746672316
Energy: 0.6848754497972811
Energy: 0.6576341622869197
Energy: 0.6434071864832092
Energy: 0.6847195557391291
Energy: 0.65763416228527
Energy: 0.6426024700378915
Energy: 0.6848754498005803
Energy: 0.6576341622869197
Energy: 0.6426024700362419
Energy: 0.6642176764275604
Energy: 0.6386641807819415
Energy: 0.6364180562527787
Energy: 0.6642176764259107
Energy: 0.6383953390208041
Energy: 0.6364166640587872
Energy: 0.6642176764242611
Energy: 0.6386641807753433
Energy: 0.6364180562494796
Energy: 0.6642176764259107
Energy: 0.6322887068251702
Energy: 0.6517110217628754
Energy: 0.6592754688214619
Energy: 0.6322887068251702
Energy: 0.6517110217628754
Energy: 0.6592754688214619
Energy: 0.6322887068251702
Energy: 0.6517110217628754
Energy: 0.6592754688231116
Energy: 0.6322887068251702
Energy: 0.7122261778514882
Energy: 0.6241556682289244
Energy: 0.699036294552552
Energy: 0.7122261778498387
Energy: 0.6241556682322236
Energy: 0.6990362945542015
Energy: 0.71222617784489
Energy: 0.624155668230574
Energy: 0.6990362945575007
Energy: 0.7122261778465395
Energy: 0.6849991840649292
Energy: 0.657001436788058
Energy: 0.6284151943257954
Energy: 0.6849991840649292
Energy: 0.6570014367897075
Energy: 0.6273494224769856
Energy: 0.6821048609956543
Energy: 0.6570014367897075
Energy: 0.6284151943307442
Energy: 0.6821048609940046
Energy: 0.6769048762535039
Energy: 0.6222821750788557
Energy: 0.6448039593709562
Energy: 0.6769048762502047
Energy: 0.6222821750788557
Energy: 0.6448039593693066
Energy: 0.6769048762518544
Energy: 0.6222821750805054
Energy: 0.6448039593709562
Energy: 0.6769048762518544
Energy: 0.6223542476420254
Energy: 0.6901329198459373
Energy: 0.6530085749849116
Energy: 0.622354247643675
Energy: 0.6901329198475868
Energy: 0.6530085749849116
Energy: 0.622354247643675
Energy: 0.6901329198492365
Energy: 0.653008574983262
Energy: 0.622354247643675
Energy: 0.6469781039445964
Energy: 0.6772538198891589
Energy: 0.6259807543498407
Energy: 0.646978103946246
Energy: 0.6772538198908085
Energy: 0.6259807543498407
Energy: 0.646978103946246
Energy: 0.6772538198891589
Energy: 0.625980754348221
Energy: 0.646978103946246
Energy: 0.6250070667255843
Energy: 0.7057969752572413
Energy: 0.7109371028251338
Energy: 0.6250070066013784
Energy: 0.7081665210830915
Energy: 0.7069465423444904
Energy: 0.6250070667255843
Energy: 0.708166521081442
Energy: 0.7070180656165053
Energy: 0.6250070066013784
Energy: 0.6523484525923169
Energy: 0.6329007743003674
Energy: 0.6600434347580949
Energy: 0.6523484525939665
Energy: 0.6329007742987178
Energy: 0.6600434347580949
Energy: 0.6523484525906674
Energy: 0.6329007743036665
Energy: 0.6600434347597445
Energy: 0.6523484525923169
Energy: 0.6363703977282238
Energy: 0.6632148210156827
Energy: 0.6390791429596027
Energy: 0.6363703977265741
Energy: 0.6632148210173323
Energy: 0.6390791429596027
Energy: 0.6363703977315229
Energy: 0.6632148210173323
Energy: 0.6390791429563036
Energy: 0.6363703977315229
Energy: 0.6822915404044494
Energy: 0.6344164115681501
Energy: 0.71565689874183
Energy: 0.6822915404044494
Energy: 0.6344170696299416
Energy: 0.7156568987434797
Energy: 0.6822915404077485
Energy: 0.6344164115681501
Energy: 0.7156568987434797
Energy: 0.6822915404060989
Energy: 0.7120300139698127
Energy: 0.6257602572315726
Energy: 0.6320317107165672
Energy: 0.7120300139714623
Energy: 0.6257602556090891
Energy: 0.6320317107165672
Energy: 0.7120300139714623
Energy: 0.6257602567237068
Energy: 0.6320317107182168
Energy: 0.7120300139698127
Energy: 0.688109955309433
Energy: 0.6580414257671117
Energy: 0.6971125419367814
Energy: 0.6881102350574233
Energy: 0.6580414257704109
Energy: 0.6971125419367814
Energy: 0.688109955309433
Energy: 0.6580414257687613
Energy: 0.6971125419367814
Energy: 0.6881102350574233
Energy: 0.6282578994477901
Energy: 0.7047992710139819
Energy: 0.6557648798163523
Energy: 0.6282578994477901
Energy: 0.7047992710123323
Energy: 0.6557648861430361
Energy: 0.6282578994494397
Energy: 0.7047992710156314
Energy: 0.6557648805154814
Energy: 0.6282578994494397
Energy: 0.6313831670370962
Energy: 0.6222448339477676
Energy: 0.6360292293427585
Energy: 0.6313831670387459
Energy: 0.6222448339461181
Energy: 0.636029229341109
Energy: 0.6313831670354467
Energy: 0.6222448339494173
Energy: 0.6360292293444082
Energy: 0.6313831670387459
Energy: 0.6442842059765163
Energy: 0.6547416595374733
Energy: 0.6881529024947965
Energy: 0.6442842059781659
Energy: 0.6547416595374733
Energy: 0.6924011276334012
Energy: 0.6442842059814352
Energy: 0.6547416595358239
Energy: 0.6859963695619887
Energy: 0.6442842059814352
Energy: 0.6745689422644112
Energy: 0.6443159251363091
Energy: 0.7001898411090794
Energy: 0.6745689422627615
Energy: 0.6443159251363091
Energy: 0.7001898411090794
Energy: 0.6745689422594624
Energy: 0.6443159251379587
Energy: 0.7001898411090794
Energy: 0.6745689422660608
Energy: 0.7017665175262484
Energy: 0.6598498598022629
Energy: 0.6378653434549933
Energy: 0.7017665175229493
Energy: 0.6598498598039125
Energy: 0.6378653434533438
Energy: 0.701766517527898
Energy: 0.6598498598072117
Energy: 0.6378653434582926
Energy: 0.701766517527898
Energy: 0.6422081671023473
Energy: 0.6423641750450961
Energy: 0.6844808212975738
Energy: 0.6422081722946184
Energy: 0.6423641750450961
Energy: 0.6844808213008732
Energy: 0.6422081729920979
Energy: 0.6423641750467458
Energy: 0.6844808212992234
Energy: 0.6422081732278703
Energy: 0.6847134615098823
Energy: 0.6821236855065844
Energy: 0.6300082908248106
Energy: 0.6847134616203454
Energy: 0.6821236855065844
Energy: 0.6299988067146916
Energy: 0.684713461486788
Energy: 0.6821236855049347
Energy: 0.6300082908264601
Energy: 0.6847134615560411
Energy: 0.7005892646425834
Energy: 0.7247015611757945
Energy: 0.6950816043812416
Energy: 0.7005892646425834
Energy: 0.7247015611790938
Energy: 0.6950816043812416
Energy: 0.7005892646409337
Energy: 0.7247015611757945
Energy: 0.6950816043812416
Energy: 0.7005892646425834
Energy: 0.6318504768227728
Energy: 0.6882888689055918
Energy: 0.628852120426233
Energy: 0.6318497851752497
Energy: 0.6882888689039423
Energy: 0.628852120426233
Energy: 0.6318504768194737
Energy: 0.6882888689039423
Energy: 0.6288521204245833
Energy: 0.6318497851736
Energy: 0.6368443875999255
Energy: 0.6538309092343751
Energy: 0.6867798554476878
Energy: 0.6368443875999255
Energy: 0.6538309092343751
Energy: 0.6867798554509871
Energy: 0.6368443875999255
Energy: 0.6538309092343751
Energy: 0.6867798554526366
Energy: 0.6368443875999255
Energy: 0.6397414671303188
Energy: 0.6643819113993354
Energy: 0.6416150322673839
Energy: 0.6506216496172544
Energy: 0.6643819113993354
Energy: 0.6381228506376113
Energy: 0.6473924423114052
Energy: 0.6643819113976858
Energy: 0.6378327551586153
Energy: 0.6396382914934465
Energy: 0.6603905322879031
Energy: 0.6315854022346385
Energy: 0.6518632287614147
Energy: 0.6603905322301673
Energy: 0.6315854022362881
Energy: 0.6518632287597652
Energy: 0.6603905322912024
Energy: 0.6315854022362881
Energy: 0.6518632287597652
Energy: 0.6603905323274635
Energy: 0.6993709937972178
Energy: 0.7082632388870307
Energy: 0.6241108064423443
Energy: 0.6993709937988672
Energy: 0.7082632388853811
Energy: 0.6241108064423443
Energy: 0.6993709938005169
Energy: 0.7082632388853811
Energy: 0.6241108064423443
Energy: 0.6993709938005169
Energy: 0.630016684581889
Energy: 0.6786874567485207
Energy: 0.6556385712985741
Energy: 0.6275616590046997
Energy: 0.6786874567485207
Energy: 0.6556385712985741
Energy: 0.630016684581889
Energy: 0.678687456746871
Energy: 0.6556385713018732
Energy: 0.6275616590079989
Energy: 0.6580856516798177
Energy: 0.6927329716762508
Energy: 0.634285486439489
Energy: 0.6447787308113883
Energy: 0.6927329716729516
Energy: 0.6342854864411385
Energy: 0.6580856516781681
Energy: 0.6927329716729516
Energy: 0.6342854864427883
Energy: 0.6447787308113883
Energy: 0.6671590348429633
Energy: 0.6221477805883574
Energy: 0.6777827346750493
Energy: 0.6542498624408496
Energy: 0.6221477805850583
Energy: 0.669587208031554
Energy: 0.6671590348413137
Energy: 0.6221477805883574
Energy: 0.6777827346701006
Energy: 0.6542498624408496
Energy: 0.6353623359244444
Energy: 0.6785186812780513
Energy: 0.7261091534049138
Energy: 0.635362335893132
Energy: 0.6785186812895982
Energy: 0.7261091534049138
Energy: 0.6353623359508379
Energy: 0.6785186812813504
Energy: 0.7261091534065633
Energy: 0.63536233590138
Energy: 0.6286151267978975
Energy: 0.6262658948808127
Energy: 0.6983369907032098
Energy: 0.6286151267995472
Energy: 0.6263009931143388
Energy: 0.6983369907015602
Energy: 0.6286151268028464
Energy: 0.6262658948808127
Energy: 0.6983369907015602
Energy: 0.6286151267995472
Energy: 0.65982488797581
Energy: 0.6408113574543243
Energy: 0.6364748496890358
Energy: 0.6606161654271415
Energy: 0.6408113574477259
Energy: 0.647006779389135
Energy: 0.6606161654254918
Energy: 0.6408113574510251
Energy: 0.6492733012233914
Energy: 0.6606161654271415
Energy: 0.6391285171391362
Energy: 0.6445431661813495
Energy: 0.6632436536368077
Energy: 0.6391285171457346
Energy: 0.6445431661829992
Energy: 0.6632436536368077
Energy: 0.6391285171457346
Energy: 0.6445431661829992
Energy: 0.6632436536368077
Energy: 0.6391285171440849
Energy: 0.7146720871851928
Energy: 0.6841415920598662
Energy: 0.6335961197388845
Energy: 0.7146720871868425
Energy: 0.6841415920598662
Energy: 0.6335968713556114
Energy: 0.7146720871851928
Energy: 0.6841415920598662
Energy: 0.6335961197388845
Energy: 0.7146720871868425
Energy: 0.6318231461490159
Energy: 0.6925201905444565
Energy: 0.6262057851649753
Energy: 0.6318231461490159
Energy: 0.6925201905411573
Energy: 0.6262057851616762
Energy: 0.6318231461490159
Energy: 0.6925201905428069
Energy: 0.6262057851550777
Energy: 0.6318231461490159
Energy: 0.6227088599144208
Energy: 0.6568325620938585
Energy: 0.6325699340912736
Energy: 0.6227088599144208
Energy: 0.6568118461498494
Energy: 0.6325699343930298
Energy: 0.6227088599144208
Energy: 0.6568325620922089
Energy: 0.6325699361226771
Energy: 0.6227088599160705
Energy: 0.6225383938410102
Energy: 0.6306354564242768
Energy: 0.767732079146685
Energy: 0.6225383938426599
Energy: 0.6306354564226272
Energy: 0.767732079146685
Energy: 0.6225383938443095
Energy: 0.6306354564226272
Energy: 0.7677320791483345
Energy: 0.6225383938426599
Energy: 0.6370466160586545
Energy: 0.6287079091316551
Energy: 0.6219519923476862
Energy: 0.6370466160602741
Energy: 0.6287079091333047
Energy: 0.6219519923476862
Energy: 0.6370466160553554
Energy: 0.6287079091316551
Energy: 0.6219519923460367
Energy: 0.637046616057005
Energy: 0.7118953913655047
Energy: 0.6634446695112992
Energy: 0.6429314794834989
Energy: 0.7118953913655047
Energy: 0.6634446695096496
Energy: 0.6429314794818494
Energy: 0.7118953913655047
Energy: 0.6634446695112992
Energy: 0.6429314794818494
Energy: 0.7118953913638552
Energy: 0.6986163241799501
Energy: 0.6735545876552564
Energy: 0.6450406192022607
Energy: 0.6986163241815997
Energy: 0.6735545876684533
Energy: 0.6450406192039102
Energy: 0.6986163241799501
Energy: 0.6735545876750516
Energy: 0.6450406192055599
Energy: 0.6986163241783006
Energy: 0.6447954865998387
Energy: 0.7017168519346353
Energy: 0.6532089296839226
Energy: 0.6447954865981891
Energy: 0.7017168519329857
Energy: 0.6532089296806534
Energy: 0.6447954865998387
Energy: 0.7017168519313361
Energy: 0.6532089296790039
Energy: 0.6447954865998387
Energy: 0.6634435795066234
Energy: 0.642935136241817
Energy: 0.6417973810037138
Energy: 0.6634435795066234
Energy: 0.6429351362401674
Energy: 0.6417973810020641
Energy: 0.6634435795066234
Energy: 0.6429351362401674
Energy: 0.6417973810037138
Energy: 0.6634435795066234

minimum gb energy = 0.6219519923460367 eV
minimum distance =  2.5010221328 Angstroms
sigma value = 293


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

Energy: 0.6159206725472853
Energy: 0.6849025873194946
Energy: 0.6850766280717191
Energy: 0.6159206725466793
Energy: 0.6849025873140397
Energy: 0.6850766280731334
Energy: 0.6159206725474874
Energy: 0.6849025873253535
Energy: 0.6850766280729313
Energy: 0.6159206725468812
Energy: 0.6448735693498487
Energy: 0.623733071834115
Energy: 0.6597145801528495
Energy: 0.6448735693498487
Energy: 0.6237330718339129
Energy: 0.6597145801540617
Energy: 0.6448735693500507
Energy: 0.623733071833711
Energy: 0.6597145801534555
Energy: 0.6448735693500507
Energy: 0.6159713218106778
Energy: 0.5962122632714801
Energy: 0.6168905691956461
Energy: 0.6159713218108799
Energy: 0.5962122632728944
Energy: 0.6168905691952421
Energy: 0.6159713218100717
Energy: 0.5962122632728944
Energy: 0.6168905691952421
Energy: 0.6159713218108799
Energy: 0.6617075868361874
Energy: 0.6040940851020051
Energy: 0.6989386761588666
Energy: 0.6617075868365914
Energy: 0.6040940851028133
Energy: 0.698938676160887
Energy: 0.6617075868359853
Energy: 0.6040940851022071
Energy: 0.6989386761602808
Energy: 0.6617075868363894
Energy: 0.7013491942278944
Energy: 0.602539679245542
Energy: 0.6785472843083945
Energy: 0.7013491942266822
Energy: 0.602539679245542
Energy: 0.6785472843090006
Energy: 0.7013491942278944
Energy: 0.6025396792457441
Energy: 0.6785472843087986
Energy: 0.7013491942268842
Energy: 0.6809344727095831
Energy: 0.6545563336644968
Energy: 0.6625547180132408
Energy: 0.6809344727103912
Energy: 0.6545563336649008
Energy: 0.6625547180132408
Energy: 0.6809344727109973
Energy: 0.6545563336649008
Energy: 0.662554718014049
Energy: 0.6809344727114013
Energy: 0.6235613117743174
Energy: 0.6030447699707676
Energy: 0.605944921147979
Energy: 0.6235613117743174
Energy: 0.6030447699709697
Energy: 0.6059449211491912
Energy: 0.6235613117745195
Energy: 0.6030447699711717
Energy: 0.605944921148989
Energy: 0.6235613117749236
Energy: 0.6759343890340344
Energy: 0.6351592663127941
Energy: 0.6351818808360365
Energy: 0.6759343890326202
Energy: 0.6351592663127941
Energy: 0.6351818808354305
Energy: 0.6759343890336303
Energy: 0.6351592663117841
Energy: 0.6351818808364406
Energy: 0.6759343890330242
Energy: 0.6235630579737321
Energy: 0.6058833198047846
Energy: 0.6029192275377356
Energy: 0.6235630579739342
Energy: 0.6058833198055927
Energy: 0.6029192275381398
Energy: 0.6235630579743382
Energy: 0.6058833198051887
Energy: 0.6029192275377356
Energy: 0.6235630579741361
Energy: 0.6808431647571995
Energy: 0.6626549136230211
Energy: 0.6545181014048361
Energy: 0.6808431647567954
Energy: 0.6626549136230211
Energy: 0.6545181014050381
Energy: 0.6808431647569975
Energy: 0.662654913622617
Energy: 0.6545181014050381
Energy: 0.6808431647561892
Energy: 0.7024111970466671
Energy: 0.6785896778165456
Energy: 0.602653922955854
Energy: 0.7024111970468692
Energy: 0.6785896778169497
Energy: 0.60265392295646
Energy: 0.7024111970474751
Energy: 0.6785896778169497
Energy: 0.602653922956056
Energy: 0.7024111970466671
Energy: 0.6618309332603208
Energy: 0.6993459334003929
Energy: 0.6039961965815444
Energy: 0.6618309332603208
Energy: 0.699345933400797
Energy: 0.6039961965817463
Energy: 0.6618309332603208
Energy: 0.699345933400797
Energy: 0.6039961965813423
Energy: 0.6618309332601188
Energy: 0.6160492494552248
Energy: 0.6170213357998365
Energy: 0.5962584099640537
Energy: 0.6160492494544166
Energy: 0.6170213358006447
Energy: 0.5962584099648619
Energy: 0.6160492494532228
Energy: 0.6170213358000384
Energy: 0.5962584099648619
Energy: 0.6160492494544166
Energy: 0.6448587388894329
Energy: 0.660011856881078
Energy: 0.6236612607183888
Energy: 0.6448587388894329
Energy: 0.660011856881078
Energy: 0.6236612607179847
Energy: 0.6448587388894329
Energy: 0.6600118568816841
Energy: 0.6236612607181868
Energy: 0.6448587388894329
Energy: 0.6159206725474874
Energy: 0.6849025873423243
Energy: 0.6850766280731334
Energy: 0.6159206725476893
Energy: 0.6849025873203027
Energy: 0.6850766280727293
Energy: 0.6159206725466793
Energy: 0.6849025873372736
Energy: 0.6850766280723253
Energy: 0.6159206725478915
Energy: 0.6448735693500507
Energy: 0.6237330718349231
Energy: 0.6597145801534555
Energy: 0.6448735693500507
Energy: 0.6237330718339129
Energy: 0.6597145801548698
Energy: 0.6448735693498487
Energy: 0.623733071834115
Energy: 0.6597145801532536
Energy: 0.6448735693498487
Energy: 0.615971321811284
Energy: 0.5962122632732985
Energy: 0.6168905691956461
Energy: 0.6159713218108799
Energy: 0.5962122632720862
Energy: 0.616890569194838
Energy: 0.6159713218108799
Energy: 0.5962122632726923
Energy: 0.6168905691952421
Energy: 0.6159713218102737
Energy: 0.6617075868361874
Energy: 0.604094085101601
Energy: 0.6989386761598767
Energy: 0.6617075868367935
Energy: 0.6040940851018031
Energy: 0.6989386761586646
Energy: 0.6617075868353792
Energy: 0.6040940851018031
Energy: 0.6989386761598767
Energy: 0.6617075868365914
Energy: 0.7013491942276924
Energy: 0.6025396792463501
Energy: 0.6785472843083945
Energy: 0.7013491942274903
Energy: 0.60253967924534
Energy: 0.6785472843092026
Energy: 0.7013491942272883
Energy: 0.602539679245542
Energy: 0.6785472843085965
Energy: 0.7013491942272883
Energy: 0.6809344727105932
Energy: 0.6545563336642948
Energy: 0.6625547180134427
Energy: 0.6809344727097851
Energy: 0.6545563336649008
Energy: 0.6625547180132408
Energy: 0.6809344727099871
Energy: 0.6545563336646988
Energy: 0.6625547180132408
Energy: 0.6809344727103912
Energy: 0.6235613117749236
Energy: 0.603044769972586
Energy: 0.605944921148383
Energy: 0.6235613117747215
Energy: 0.6030447699701615
Energy: 0.605944921148585
Energy: 0.6235613117739134
Energy: 0.6030447699713738
Energy: 0.6059449211475749
Energy: 0.6235613117741154
Energy: 0.6759343890320141
Energy: 0.6351592663136023
Energy: 0.6351818808360365
Energy: 0.6759343890314079
Energy: 0.6351592663127941
Energy: 0.6351818808362385
Energy: 0.675934389032216
Energy: 0.6351592663119859
Energy: 0.6351818808358345
Energy: 0.6759343890320141
Energy: 0.6235630579737321
Energy: 0.6058833198055927
Energy: 0.6029192275391498
Energy: 0.6235630579745401
Energy: 0.6058833198049868
Energy: 0.6029192275387458
Energy: 0.6235630579741361
Energy: 0.6058833198047846
Energy: 0.6029192275383417
Energy: 0.6235630579743382
Energy: 0.6808431647563914
Energy: 0.6626549136220108
Energy: 0.6545181014050381
Energy: 0.6808431647567954
Energy: 0.6626549136228189
Energy: 0.6545181014048361
Energy: 0.6808431647578056
Energy: 0.662654913622213
Energy: 0.654518101404634
Energy: 0.6808431647565933
Energy: 0.7024111970468692
Energy: 0.6785896778169497
Energy: 0.6026539229566621
Energy: 0.7024111970464652
Energy: 0.6785896778161415
Energy: 0.60265392295646
Energy: 0.7024111970468692
Energy: 0.6785896778159394
Energy: 0.602653922956056
Energy: 0.7024111970466671
Energy: 0.6618309332599168
Energy: 0.6993459334016051
Energy: 0.6039961965821504
Energy: 0.6618309332603208
Energy: 0.6993459334003929
Energy: 0.6039961965819485
Energy: 0.6618309332599168
Energy: 0.6993459334024132
Energy: 0.6039961965815444
Energy: 0.6618309332599168
Energy: 0.6160492494538106
Energy: 0.6170213358002405
Energy: 0.5962584099648619
Energy: 0.6160492494556289
Energy: 0.6170213358010487
Energy: 0.5962584099644578
Energy: 0.6160492494536269
Energy: 0.6170213358006447
Energy: 0.5962584099654681
Energy: 0.616049249456033
Energy: 0.6448587388896349
Energy: 0.6600118568806739
Energy: 0.6236612607177827
Energy: 0.6448587388894329
Energy: 0.66001185688128
Energy: 0.6236612607179847
Energy: 0.6448587388894329
Energy: 0.66001185688128
Energy: 0.6236612607179847
Energy: 0.6448587388896349
Energy: 0.6159206725470834
Energy: 0.6849025873168681
Energy: 0.6850766280733355
Energy: 0.6159206725472853
Energy: 0.6849025873271719
Energy: 0.6850766280727293
Energy: 0.6159206725474874
Energy: 0.6849025873596809
Energy: 0.6850766280739415
Energy: 0.6159206725468812
Energy: 0.6448735693500507
Energy: 0.6237330718345191
Energy: 0.6597145801550718
Energy: 0.6448735693502526
Energy: 0.623733071834317
Energy: 0.6597145801534555
Energy: 0.6448735693502526
Energy: 0.623733071834721
Energy: 0.6597145801534555
Energy: 0.6448735693500507
Energy: 0.6159713218098697
Energy: 0.5962122632716821
Energy: 0.616890569194838
Energy: 0.6159713218110818
Energy: 0.5962122632716821
Energy: 0.6168905691956461
Energy: 0.6159713218110818
Energy: 0.5962122632732985
Energy: 0.6168905691960502
Energy: 0.6159713218102737
Energy: 0.6617075868355813
Energy: 0.6040940851018031
Energy: 0.6989386761596748
Energy: 0.6617075868359853
Energy: 0.6040940851026112
Energy: 0.6989386761588666
Energy: 0.6617075868357832
Energy: 0.6040940851018031
Energy: 0.6989386761582604
Energy: 0.6617075868361874
Energy: 0.7013491942268842
Energy: 0.6025396792461482
Energy: 0.6785472843081924
Energy: 0.7013491942272883
Energy: 0.6025396792459461
Energy: 0.6785472843087986
Energy: 0.7013491942270863
Energy: 0.60253967924534
Energy: 0.6785472843081924
Energy: 0.7013491942266822
Energy: 0.6809344727105932
Energy: 0.6545563336646988
Energy: 0.662554718014453
Energy: 0.6809344727107953
Energy: 0.6545563336644968
Energy: 0.6625547180136448
Energy: 0.6809344727109973
Energy: 0.6545563336644968
Energy: 0.6625547180146549
Energy: 0.6809344727099871
Energy: 0.6235613117743174
Energy: 0.6030447699715757
Energy: 0.605944921148585
Energy: 0.6235613117749236
Energy: 0.6030447699723839
Energy: 0.6059449211473728
Energy: 0.6235613117747215
Energy: 0.6030447699713738
Energy: 0.6059449211497973
Energy: 0.6235613117745195
Energy: 0.6759343890338324
Energy: 0.6351592663125922
Energy: 0.6351818808360365
Energy: 0.6759343890336303
Energy: 0.6351592663123901
Energy: 0.6351818808352283
Energy: 0.6759343890326202
Energy: 0.6351592663119859
Energy: 0.6351818808352283
Energy: 0.6759343890320141
Energy: 0.6235630579743382
Energy: 0.6058833198049868
Energy: 0.6029192275375337
Energy: 0.6235630579739342
Energy: 0.6058833198049868
Energy: 0.6029192275385438
Energy: 0.6235630579739342
Energy: 0.6058833198049868
Energy: 0.6029192275389479
Energy: 0.6235630579735301
Energy: 0.6808431647563914
Energy: 0.6626549136228189
Energy: 0.6545181014052401
Energy: 0.6808431647569975
Energy: 0.662654913622617
Energy: 0.6545181014050381
Energy: 0.6808431647584116
Energy: 0.6626549136224149
Energy: 0.6545181014050381
Energy: 0.6808431647576034
Energy: 0.7024111970468692
Energy: 0.6785896778167476
Energy: 0.6026539229562581
Energy: 0.7024111970468692
Energy: 0.6785896778169497
Energy: 0.602653922956056
Energy: 0.7024111970464652
Energy: 0.6785896778167476
Energy: 0.6026539229568642
Energy: 0.7024111970464652
Energy: 0.6618309332605228
Energy: 0.699345933401403
Energy: 0.6039961965811403
Energy: 0.6618309332603208
Energy: 0.699345933401201
Energy: 0.6039961965817463
Energy: 0.6618309332599168
Energy: 0.6993459334020091
Energy: 0.6039961965815444
Energy: 0.6618309332603208

minimum gb energy = 0.5962122632714801 eV
minimum distance =  2.51286222720939 Angstroms
sigma value = 293


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

Energy: 0.5944188427210689
Energy: 0.5944874514318729
Energy: 0.5944802566080039
Energy: 0.5944188427221644
Energy: 0.5944874514311426
Energy: 0.5944802566080039
Energy: 0.5944188427214341
Energy: 0.5944874514315077
Energy: 0.5944802566080039
Energy: 0.5944188427221644
Energy: 0.6103323076286371
Energy: 0.5946813948394652
Energy: 0.6105598424465852
Energy: 0.610332307628272
Energy: 0.5946813948394652
Energy: 0.6105598424469503
Energy: 0.6103323076286371
Energy: 0.5946813948394652
Energy: 0.6105598424462201
Energy: 0.610332307628272
Energy: 0.5942514694622578
Energy: 0.5941568530559674
Energy: 0.6583898024970484
Energy: 0.5942514694618928
Energy: 0.5941568530559674
Energy: 0.6583898024974134
Energy: 0.5942514694622578
Energy: 0.5941568530559674
Energy: 0.658389802496318
Energy: 0.5942514694622578
Energy: 0.6585401527217929
Energy: 0.5941598475059853
Energy: 0.5942530929691036
Energy: 0.6585401527214277
Energy: 0.5941598475059853
Energy: 0.5942530929691036
Energy: 0.6585401527210626
Energy: 0.5941598475059853
Energy: 0.5942530929691036
Energy: 0.6585401527210626
Energy: 0.6105939188385692
Energy: 0.594671766725399
Energy: 0.6102312724245198
Energy: 0.610593918838204
Energy: 0.5946717667250337
Energy: 0.6102312724248848
Energy: 0.6105939188385692
Energy: 0.594671766725399
Energy: 0.6102312724245198
Energy: 0.6105939188378389
Energy: 0.5944874514311426
Energy: 0.5944802566080039
Energy: 0.5944188427210689
Energy: 0.5944874514315077
Energy: 0.5944802566080039
Energy: 0.5944188427221644
Energy: 0.5944874514311426
Energy: 0.5944802566080039
Energy: 0.5944188427214341
Energy: 0.5944874514315077
Energy: 0.5946813948394652
Energy: 0.6105598424469503
Energy: 0.6103323076286371
Energy: 0.5946813948394652
Energy: 0.6105598424462201
Energy: 0.6103323076286371
Energy: 0.5946813948391001
Energy: 0.6105598424473155
Energy: 0.6103323076286371
Energy: 0.5946813948391001
Energy: 0.5941568530559674
Energy: 0.6583898024977787
Energy: 0.5942514694626231
Energy: 0.5941568530559674
Energy: 0.6583898024970484
Energy: 0.5942514694622578
Energy: 0.5941568530563327
Energy: 0.6583898024966831
Energy: 0.5942514694622578
Energy: 0.5941568530559674
Energy: 0.5941598475063504
Energy: 0.5942530929691036
Energy: 0.6585401527217929
Energy: 0.5941598475059853
Energy: 0.5942530929691036
Energy: 0.6585401527203323
Energy: 0.5941598475059853
Energy: 0.5942530929691036
Energy: 0.6585401527206974
Energy: 0.5941598475056201
Energy: 0.5946717667250337
Energy: 0.6102312724245198
Energy: 0.6105939188385692
Energy: 0.594671766725399
Energy: 0.6102312724245198
Energy: 0.610593918838204
Energy: 0.5946717667250337
Energy: 0.6102312724245198
Energy: 0.6105939188389342
Energy: 0.594671766725399
Energy: 0.5944802566080039
Energy: 0.5944188427221644
Energy: 0.5944874514315077
Energy: 0.5944802566080039
Energy: 0.5944188427214341
Energy: 0.5944874514315077
Energy: 0.5944802566080039
Energy: 0.5944188427221644
Energy: 0.5944874514311426
Energy: 0.5944802566080039
Energy: 0.6105598424462201
Energy: 0.610332307628272
Energy: 0.5946813948391001
Energy: 0.6105598424469503
Energy: 0.6103323076286371
Energy: 0.5946813948394652
Energy: 0.6105598424462201
Energy: 0.6103323076286371
Energy: 0.5946813948391001
Energy: 0.6105598424469503
Energy: 0.6583898024985089
Energy: 0.5942514694618928
Energy: 0.5941568530559674
Energy: 0.6583898024970484
Energy: 0.5942514694622578
Energy: 0.5941568530559674
Energy: 0.6583898024966831
Energy: 0.5942514694618928
Energy: 0.5941568530559674
Energy: 0.6583898024974134
Energy: 0.5942530929691036
Energy: 0.6585401527210626
Energy: 0.5941598475059853
Energy: 0.5942530929691036
Energy: 0.6585401527210626
Energy: 0.5941598475059853
Energy: 0.5942530929691036
Energy: 0.6585401527214277
Energy: 0.5941598475063504
Energy: 0.5942530929691036
Energy: 0.6102312724245198
Energy: 0.610593918838204
Energy: 0.5946717667250337
Energy: 0.6102312724248848
Energy: 0.6105939188385692
Energy: 0.594671766725399
Energy: 0.6102312724245198
Energy: 0.610593918838204
Energy: 0.5946717667246687
Energy: 0.6102312724245198
Energy: 0.5944188427210689
Energy: 0.5944874514315077
Energy: 0.5944802566080039
Energy: 0.5944188427221644
Energy: 0.5944874514311426
Energy: 0.5944802566080039
Energy: 0.5944188427214341
Energy: 0.5944874514315077
Energy: 0.5944802566080039
Energy: 0.5944188427221644
Energy: 0.6103323076286371
Energy: 0.5946813948394652
Energy: 0.6105598424462201
Energy: 0.610332307628272
Energy: 0.5946813948391001
Energy: 0.6105598424469503
Energy: 0.6103323076286371
Energy: 0.5946813948394652
Energy: 0.6105598424462201
Energy: 0.610332307628272
Energy: 0.5942514694622578
Energy: 0.5941568530559674
Energy: 0.6583898024966831
Energy: 0.5942514694618928
Energy: 0.5941568530563327
Energy: 0.6583898024970484
Energy: 0.5942514694622578
Energy: 0.5941568530559674
Energy: 0.6583898024977787
Energy: 0.5942514694622578
Energy: 0.6585401527214277
Energy: 0.5941598475059853
Energy: 0.5942530929691036
Energy: 0.658540152724349
Energy: 0.5941598475059853
Energy: 0.5942530929691036
Energy: 0.6585401527203323
Energy: 0.5941598475059853
Energy: 0.5942530929691036
Energy: 0.6585401527206974
Energy: 0.6105939188385692
Energy: 0.594671766725399
Energy: 0.6102312724241546
Energy: 0.610593918838204
Energy: 0.5946717667250337
Energy: 0.6102312724245198
Energy: 0.6105939188385692
Energy: 0.594671766725399
Energy: 0.6102312724241546
Energy: 0.610593918838204
Energy: 0.5944874514315077
Energy: 0.5944802566080039
Energy: 0.5944188427214341
Energy: 0.5944874514315077
Energy: 0.5944802566080039
Energy: 0.5944188427221644
Energy: 0.5944874514311426
Energy: 0.5944802566080039
Energy: 0.5944188427214341
Energy: 0.5944874514315077
Energy: 0.5946813948391001
Energy: 0.6105598424465852
Energy: 0.6103323076286371
Energy: 0.5946813948394652
Energy: 0.6105598424458549
Energy: 0.610332307628272
Energy: 0.5946813948391001
Energy: 0.6105598424465852
Energy: 0.6103323076286371
Energy: 0.5946813948394652

minimum gb energy = 0.5941568530559674 eV
minimum distance =  2.59998226808245 Angstroms
sigma value = 15


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

Energy: 0.64755149206875
Energy: 0.6784795749164734
Energy: 0.6762283543989923
Energy: 0.6383886163783266
Energy: 0.6784795749164734
Energy: 0.6762283543973371
Energy: 0.64755149206875
Energy: 0.6784795749181286
Energy: 0.6762283543989923
Energy: 0.6383886163783266
Energy: 0.6935528630819046
Energy: 0.6104488472236943
Energy: 0.5960822243680769
Energy: 0.6935528630835598
Energy: 0.6104488472220391
Energy: 0.5960822243664218
Energy: 0.6935528630835598
Energy: 0.6104488472220391
Energy: 0.5960822243680769
Energy: 0.6935528630852151
Energy: 0.6249527991393506
Energy: 0.6392333218354352
Energy: 0.7541446999549977
Energy: 0.6249527991376954
Energy: 0.6392333218387457
Energy: 0.7541446999516873
Energy: 0.6249527991393506
Energy: 0.6392333218370905
Energy: 0.7541446999549977
Energy: 0.6249527991393506
Energy: 0.6003637774379209
Energy: 0.639255454159894
Energy: 0.59762281525572
Energy: 0.6003637774379209
Energy: 0.6392554541615494
Energy: 0.5976228152540647
Energy: 0.6003637774412314
Energy: 0.6392554541615494
Energy: 0.5976228152540647
Energy: 0.600363777439576
Energy: 0.596244190917696
Energy: 0.6104276969137669
Energy: 0.6371672364735225
Energy: 0.5962441909193512
Energy: 0.6104276969104865
Energy: 0.6371672364751777
Energy: 0.596244190917696
Energy: 0.6104276969121117
Energy: 0.6371672364735225
Energy: 0.5962441909193512
Energy: 0.6325757219197573
Energy: 0.6905337892288114
Energy: 0.6008644243587423
Energy: 0.6325757219197573
Energy: 0.6905337891344929
Energy: 0.6008644243571172
Energy: 0.6325757219197573
Energy: 0.690533789106384
Energy: 0.6008644243603976
Energy: 0.6325757219197573
Energy: 0.6402670792127402
Energy: 0.6653858674358001
Energy: 0.6654825315642082
Energy: 0.6410887732633359
Energy: 0.6653858674358001
Energy: 0.6654825315642082
Energy: 0.6402670797372094
Energy: 0.6653858674358001
Energy: 0.6654825315642082
Energy: 0.641088773264991
Energy: 0.6111499061019495
Energy: 0.7218280389294595
Energy: 0.6959798044710422
Energy: 0.6111499061002943
Energy: 0.7218280389311149
Energy: 0.6959798044693871
Energy: 0.611149906098639
Energy: 0.7218280389311149
Energy: 0.6959798044726977
Energy: 0.6111499061002943
Energy: 0.7611786503273126
Energy: 0.6296579723112773
Energy: 0.6299407044171192
Energy: 0.7611786503240022
Energy: 0.6295937339495853
Energy: 0.6299449340942772
Energy: 0.7611786503256575
Energy: 0.6296579723112773
Energy: 0.6299407044187745
Energy: 0.7611786503240022
Energy: 0.6091363820551905
Energy: 0.6792429978102684
Energy: 0.6774381086020023
Energy: 0.609135569531099
Energy: 0.6792429977953712
Energy: 0.6775587982827856
Energy: 0.6091363820568457
Energy: 0.6792429977705727
Energy: 0.6774381085986917
Energy: 0.609135569531099
Energy: 0.6166990512402833
Energy: 0.5971594841339926
Energy: 0.633787856276663
Energy: 0.6166990512402833
Energy: 0.5971594841373031
Energy: 0.633787856276663
Energy: 0.6166990512419387
Energy: 0.597159484135648
Energy: 0.6337878562750077
Energy: 0.6166990512386282
Energy: 0.6675614905718708
Energy: 0.5992851481441864
Energy: 0.7022781189069999
Energy: 0.6675614905718708
Energy: 0.5992845949168965
Energy: 0.7022781188871672
Energy: 0.6675614905718708
Energy: 0.5992851481474969
Energy: 0.7022781187663649
Energy: 0.667561490573526
Energy: 0.6267544109307898
Energy: 0.5974302736054525
Energy: 0.6374983843405122
Energy: 0.6267544109307898
Energy: 0.5974302736054525
Energy: 0.6374983843405122
Energy: 0.6267544109307898
Energy: 0.5974302736054525
Energy: 0.6374983843421673
Energy: 0.6267544109307898
Energy: 0.6032754549881454
Energy: 0.5999961894173795
Energy: 0.657767357701969
Energy: 0.6032754549881454
Energy: 0.5999961894173795
Energy: 0.6577673577003137
Energy: 0.6032754549898007
Energy: 0.5999961894190348
Energy: 0.6577673576986585
Energy: 0.6032754549898007
Energy: 0.671723957833162
Energy: 0.6834462253145979
Energy: 0.6091734709934676
Energy: 0.671723957833162
Energy: 0.6834462253112873
Energy: 0.6091736832660233
Energy: 0.671723957833162
Energy: 0.6834462253129424
Energy: 0.609173470996748
Energy: 0.6717239578348172
Energy: 0.6054721565112582
Energy: 0.6939804534841401
Energy: 0.6925564314200652
Energy: 0.6054721565096031
Energy: 0.6939804534824848
Energy: 0.6925564314200652
Energy: 0.6054721565096031
Energy: 0.6939804534808297
Energy: 0.6925564314200652
Energy: 0.6054721565112582
Energy: 0.6244817112326558
Energy: 0.7201006613498571
Energy: 0.6580812795592287
Energy: 0.6244816806127969
Energy: 0.7201006613482019
Energy: 0.6580812795575735
Energy: 0.6244817112326558
Energy: 0.7201006613482019
Energy: 0.6580812795559181
Energy: 0.6244816806144521
Energy: 0.6465037455668259
Energy: 0.6117712274507004
Energy: 0.5957791549446203
Energy: 0.6465037455651705
Energy: 0.6117712274507004
Energy: 0.5957791549462755
Energy: 0.6465037455635154
Energy: 0.6117712274507004
Energy: 0.5957791549446203
Energy: 0.6465037455635154
Energy: 0.6055434798459932
Energy: 0.7092940080843124
Energy: 0.6171110311167144
Energy: 0.6055434798476484
Energy: 0.7092940080859678
Energy: 0.6171110311200249
Energy: 0.6055434798459932
Energy: 0.7092940080859678
Energy: 0.6171110311183697
Energy: 0.6055434798459932
Energy: 0.6441009021193943
Energy: 0.6083791013879253
Energy: 0.6215182901740112
Energy: 0.6441009021260152
Energy: 0.6083791013879253
Energy: 0.6215182901740112
Energy: 0.6441009020780434
Energy: 0.6083791013895805
Energy: 0.6215182901740112
Energy: 0.6441009021475333
Energy: 0.6235210979524102
Energy: 0.6113302649577042
Energy: 0.6515017050861863
Energy: 0.6235210979507548
Energy: 0.6113302649577042
Energy: 0.6515017050878416
Energy: 0.6235210979490996
Energy: 0.6113302649577042
Energy: 0.6515017050861863
Energy: 0.6235210979507548
Energy: 0.6791486636810065
Energy: 0.6932185900176698
Energy: 0.5997609796460505
Energy: 0.679148663685972
Energy: 0.6932185900193252
Energy: 0.5997609796477057
Energy: 0.6791486636578331
Energy: 0.6932185900176698
Energy: 0.5997609796443953
Energy: 0.6791486636627988
Energy: 0.6392463737139524
Energy: 0.6398994324218531
Energy: 0.6044728593072889
Energy: 0.6392232910090295
Energy: 0.6399045118675791
Energy: 0.6044728593072889
Energy: 0.6392463737106419
Energy: 0.6398994324185425
Energy: 0.6044728593089441
Energy: 0.6392232910106848
Energy: 0.5982045295198352
Energy: 0.6527761645792329
Energy: 0.5958502766832858
Energy: 0.5982045295198352
Energy: 0.6527761645775778
Energy: 0.5958502766816307
Energy: 0.5982045295198352
Energy: 0.6527761645792329
Energy: 0.5958502766832858
Energy: 0.5982045295181798
Energy: 0.6034257131682831
Energy: 0.652884823031508
Energy: 0.6686423806172397
Energy: 0.6034257131699382
Energy: 0.6528848230546812
Energy: 0.6686423806155845
Energy: 0.6034257131699382
Energy: 0.6528848230546812
Energy: 0.6686423806172397
Energy: 0.6034257131682831
Energy: 0.6094830665867873
Energy: 0.6786776141726987
Energy: 0.6351348204982322
Energy: 0.6094845353408281
Energy: 0.678677614174354
Energy: 0.6351348204982322
Energy: 0.6094830665867873
Energy: 0.6786776141760092
Energy: 0.6351348204998875
Energy: 0.6094845353441386
Energy: 0.6321941941226142
Energy: 0.5948151288512178
Energy: 0.6367700343904132
Energy: 0.6321941941242695
Energy: 0.594815128852873
Energy: 0.6367700343904132
Energy: 0.6321941941242695
Energy: 0.5948151288512178
Energy: 0.6367700343904132
Energy: 0.6321941941242695
Energy: 0.7099991975035485
Energy: 0.6024794133789719
Energy: 0.7076022636068635
Energy: 0.7099991975068589
Energy: 0.602479413380627
Energy: 0.7076022636085187
Energy: 0.7099991975052036
Energy: 0.602479413380627
Energy: 0.707602263610174
Energy: 0.7099991975035485
Energy: 0.7262040900743845
Energy: 0.5989325761099242
Energy: 0.635052537014095
Energy: 0.7264728106775019
Energy: 0.5990664737069257
Energy: 0.6350525370157504
Energy: 0.7262040900710741
Energy: 0.5989325761099242
Energy: 0.6350525370157504
Energy: 0.7264728106791573
Energy: 0.6024103234857633
Energy: 0.6001668657135757
Energy: 0.6162558488703518
Energy: 0.6024103234857633
Energy: 0.6001668657135757
Energy: 0.6162558488703518
Energy: 0.602410323484108
Energy: 0.6001668657135757
Energy: 0.6162558488703518
Energy: 0.6024103234857633
Energy: 0.6672210946661227
Energy: 0.6649225275503478
Energy: 0.6095248991218589
Energy: 0.6672210946611569
Energy: 0.6649225275503478
Energy: 0.6094183274539656
Energy: 0.6672210946661227
Energy: 0.6649225275503478
Energy: 0.6095248991218589
Energy: 0.6672210946644674
Energy: 0.5952605195715054
Energy: 0.6029174378890444
Energy: 0.6001684146878713
Energy: 0.5952605195748158
Energy: 0.6029174378890444
Energy: 0.6001684146862161
Energy: 0.5952605195731605
Energy: 0.6029174378890444
Energy: 0.6001684146878713
Energy: 0.5952605195731605
Energy: 0.647753869415189
Energy: 0.6569196408646568
Energy: 0.6230889478388403
Energy: 0.6384449190983498
Energy: 0.6569196408646568
Energy: 0.623088947837185
Energy: 0.647753869415189
Energy: 0.6569196408646568
Energy: 0.6230889478388403
Energy: 0.6384449190966947
Energy: 0.6477028889555403
Energy: 0.6814033519005509
Energy: 0.6815639689351236
Energy: 0.6385532789052402
Energy: 0.6814033518988956
Energy: 0.663737707546699
Energy: 0.647702888973748
Energy: 0.6814033519005509
Energy: 0.6815639689400893
Energy: 0.6385532789068954
Energy: 0.5961029858816982
Energy: 0.7087282742716788
Energy: 0.6029067537181578
Energy: 0.5961029858816982
Energy: 0.7087282742716788
Energy: 0.6029067537214684
Energy: 0.5961029858816982
Energy: 0.7087282742716788
Energy: 0.6029067537115369
Energy: 0.5961029858833534
Energy: 0.7258196096448426
Energy: 0.6103084484704028
Energy: 0.6033998064691112
Energy: 0.7258196096448426
Energy: 0.6103084484687474
Energy: 0.603399806475732
Energy: 0.7258196096464979
Energy: 0.6103084484687474
Energy: 0.6033998064790425
Energy: 0.7258196096431874
Energy: 0.602977201909218
Energy: 0.5967751155252471
Energy: 0.5973875256273552
Energy: 0.6029772019108732
Energy: 0.5967751155219365
Energy: 0.597385073234063
Energy: 0.6029772019108732
Energy: 0.5967751155285574
Energy: 0.5973875256223895
Energy: 0.6029772019108732
Energy: 0.6195513358722827
Energy: 0.6932203504840319
Energy: 0.5992130972159064
Energy: 0.6195513358722827
Energy: 0.6932203504856871
Energy: 0.5992130972142511
Energy: 0.619551335867317
Energy: 0.6932203504856871
Energy: 0.5992130972159064
Energy: 0.6195513358706274
Energy: 0.6656671627360433
Energy: 0.6656028921032887
Energy: 0.6023299647224335
Energy: 0.6656671627343881
Energy: 0.6656028921032887
Energy: 0.6023299647224335
Energy: 0.6656671627360433
Energy: 0.6656028921032887
Energy: 0.6023299647224335
Energy: 0.6656671627376987
Energy: 0.6677478934710331
Energy: 0.6475712679409759
Energy: 0.5958136602559847
Energy: 0.6677478934677227
Energy: 0.6475712679360102
Energy: 0.5958136602526741
Energy: 0.6677478934677227
Energy: 0.6475712679409759
Energy: 0.5958136602543294
Energy: 0.6677478934660975
Energy: 0.6099143300256428
Energy: 0.6529302133487804
Energy: 0.6162508115922873
Energy: 0.6099143300256428
Energy: 0.6529302133504357
Energy: 0.616250811590632
Energy: 0.6099143300256428
Energy: 0.6529302133504357
Energy: 0.616250811590632
Energy: 0.6099143300256428
Energy: 0.5983772719669571
Energy: 0.630347613024572
Energy: 0.6300803721034571
Energy: 0.5983772719653018
Energy: 0.6303956876929385
Energy: 0.6301339350118214
Energy: 0.5983772719636465
Energy: 0.6303476130262272
Energy: 0.6300803721034571
Energy: 0.5983772719686122
Energy: 0.6680860027405883
Energy: 0.5972628187098706
Energy: 0.6360547389615219
Energy: 0.6680860027422434
Energy: 0.5972628187098706
Energy: 0.6360547389615219
Energy: 0.6680860027422434
Energy: 0.5972628187115258
Energy: 0.6360547389598665
Energy: 0.6680860027422434
Energy: 0.6403956925052944
Energy: 0.6722175210203515
Energy: 0.6394488470148729
Energy: 0.6403956925052944
Energy: 0.6722175210236618
Energy: 0.6394488470181835
Energy: 0.6403956925052944
Energy: 0.6722175210236618
Energy: 0.6394488470165283
Energy: 0.6403956925036391
Energy: 0.6449979373055309
Energy: 0.5999344429734093
Energy: 0.6996748608172808
Energy: 0.6449979370639566
Energy: 0.5999348163149828
Energy: 0.6996748608172808
Energy: 0.6449979373717102
Energy: 0.5999344429750646
Energy: 0.6996748608172808
Energy: 0.6449979370556804
Energy: 0.6027616084617174
Energy: 0.6035467972914744
Energy: 0.6441167695824757
Energy: 0.6027616084617174
Energy: 0.6035467972931298
Energy: 0.6441167695824757
Energy: 0.6027616084600621
Energy: 0.6035467972931298
Energy: 0.6441167695808204
Energy: 0.6027616084617174
Energy: 0.607491738240303
Energy: 0.6313001520587302
Energy: 0.6097077745449367
Energy: 0.607491738240303
Energy: 0.6313001520570749
Energy: 0.6097083410016294
Energy: 0.607491738240303
Energy: 0.6313001520603855
Energy: 0.6097077745432816
Energy: 0.607491738240303
Energy: 0.5953403185143469
Energy: 0.5921150546059074
Energy: 0.5976490066237303
Energy: 0.5953403185126916
Energy: 0.5921150546059074
Energy: 0.5976490066237303
Energy: 0.5953403185143469
Energy: 0.5921150546042522
Energy: 0.5976490066187646
Energy: 0.5953403185126916
Energy: 0.62061241542167
Energy: 0.6671978386065349
Energy: 0.6775240164032803
Energy: 0.620683339730316
Energy: 0.6671978386065349
Energy: 0.6775240164032803
Energy: 0.620612415838609
Energy: 0.6671978386065349
Energy: 0.6775240164016251
Energy: 0.6206833397054874

minimum gb energy = 0.5921150546042522 eV
minimum distance =  2.51170967338428 Angstroms
sigma value = 437


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

Energy: 0.5781565496385033
Energy: 0.579896286960575
Energy: 0.5798550563108715
Energy: 0.5781565496379003
Energy: 0.5798962869617812
Energy: 0.5798550563108715
Energy: 0.5781565496385033
Energy: 0.579896286961178
Energy: 0.5798550563102686
Energy: 0.5781565496379003
Energy: 0.6662100260673024
Energy: 0.5722660944356335
Energy: 0.5813935767323972
Energy: 0.6662100260679055
Energy: 0.5722660944362364
Energy: 0.5813935767317941
Energy: 0.6662100260673024
Energy: 0.5722660944356335
Energy: 0.5813935767330002
Energy: 0.6662100260679055
Energy: 0.6700087286260183
Energy: 0.5623014239592575
Energy: 0.6346259284746646
Energy: 0.6700087286266215
Energy: 0.5623014239580515
Energy: 0.6346259272227159
Energy: 0.6700087286266215
Energy: 0.5623014239598606
Energy: 0.6346259272462341
Energy: 0.6700087286260183
Energy: 0.6443299294620294
Energy: 0.6900640256654882
Energy: 0.6467598875130356
Energy: 0.6443299294626326
Energy: 0.6900640256654882
Energy: 0.6467598875130356
Energy: 0.6443299294620294
Energy: 0.6900640256654882
Energy: 0.6467598875130356
Energy: 0.6443299294626326
Energy: 0.6495725005909763
Energy: 0.5826998284749815
Energy: 0.788000189662991
Energy: 0.6495725005921823
Energy: 0.5826998284743783
Energy: 0.7880001896617849
Energy: 0.6495725005915792
Energy: 0.5826998284743783
Energy: 0.788000189662991
Energy: 0.6495725005915792
Energy: 0.6488396026746467
Energy: 0.6908937787588929
Energy: 0.5729954204775937
Energy: 0.6488396026734407
Energy: 0.6908937787594959
Energy: 0.5729954204769907
Energy: 0.6488396026740437
Energy: 0.6908937787594959
Energy: 0.5729954204775937
Energy: 0.6488396026734407
Energy: 0.6524768670268627
Energy: 0.5886157777284874
Energy: 0.5622587604998242
Energy: 0.6524768621004775
Energy: 0.5886157777278844
Energy: 0.5622587605004272
Energy: 0.6524768612349077
Energy: 0.5886157777284874
Energy: 0.5622587604992211
Energy: 0.6524768616815623
Energy: 0.6316409504673182
Energy: 0.701771030274012
Energy: 0.6246974550912562
Energy: 0.6316409504673182
Energy: 0.7017710302734091
Energy: 0.6246974550918593
Energy: 0.6316409504667152
Energy: 0.7017710302746152
Energy: 0.6246974550912562
Energy: 0.6316409504673182
Energy: 0.6550879749538717
Energy: 0.5819879758190509
Energy: 0.5819980826186695
Energy: 0.6550879749538717
Energy: 0.5819879758190509
Energy: 0.5819980826192724
Energy: 0.6550879749532688
Energy: 0.5819879758190509
Energy: 0.5819980826192724
Energy: 0.6550879749538717
Energy: 0.6283199248052179
Energy: 0.64603114936306
Energy: 0.6511434568912623
Energy: 0.628319924806424
Energy: 0.64603114936306
Energy: 0.6511434568960865
Energy: 0.6283199248052179
Energy: 0.6460311493624569
Energy: 0.6511434569039259
Energy: 0.628319924806424
Energy: 0.5642118403953555
Energy: 0.5678507220611265
Energy: 0.6137166439957557
Energy: 0.5642118403947525
Energy: 0.5678507220617297
Energy: 0.6137166439963585
Energy: 0.5642118403947525
Energy: 0.5678507220611265
Energy: 0.6137166439957557
Energy: 0.5642118403947525
Energy: 0.6470594369823285
Energy: 0.5746506050382562
Energy: 0.582823467223539
Energy: 0.6470594369829313
Energy: 0.5746506050382562
Energy: 0.5828234672241421
Energy: 0.6470594369823285
Energy: 0.5746506050382562
Energy: 0.5828234672241421
Energy: 0.6470594369829313
Energy: 0.5820248665597554
Energy: 0.6159703442704568
Energy: 0.5821738904933901
Energy: 0.5820248665603586
Energy: 0.6159703442704568
Energy: 0.5821738904933901
Energy: 0.5820248665597554
Energy: 0.6159703442704568
Energy: 0.5821738904933901
Energy: 0.5820248665597554
Energy: 0.5779191020225735
Energy: 0.5879862638685415
Energy: 0.6246876969068118
Energy: 0.5779191020225735
Energy: 0.5879862638691445
Energy: 0.6246876969062088
Energy: 0.5779191020225735
Energy: 0.5879862638691445
Energy: 0.6246876969062088
Energy: 0.5779191020225735

minimum gb energy = 0.5622587604992211 eV
minimum distance =  2.53686180493624 Angstroms
sigma value = 33