Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Fe__MO_984358344196_003
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.868830233812332
cohesive_energy=4.130745590537839
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.012680343529325936
Energy: 0.012852175138700876
Energy: 0.1658571014377131
Energy: 0.012852175138700876
Energy: 0.012680343529823895
Energy: 0.012852175138700876
Energy: 0.012852175136266408
Energy: 3.4146451515249905
Energy: 0.012852175138230582
Energy: 3.4146451515254883
Energy: 0.012852175138230582
Energy: 3.08046418265332
Energy: 0.16585710143674487
Energy: 0.012852175138230582
Energy: 0.012680343529823895
Energy: 0.01285217513723466
Energy: 0.16585710143721516
Energy: 0.012852175138700876
Energy: 0.012852175136266408
Energy: 3.414645151526457
Energy: 0.012852175138230582
Energy: 3.5579471193391736
Energy: 0.012852175140167092
Energy: 3.414645151523054
Energy: 0.012680343529325936
Energy: 0.012852175140665051
Energy: 0.16585710143721516
Energy: 0.012852175138230582
Energy: 0.012680343529823895
Energy: 0.012852175139198837
Energy: 0.012852175139669133
Energy: 3.0804641826547594
Energy: 0.012852175138230582
Energy: 3.4146451515235516
Energy: 0.012852175139198837
Energy: 3.0804641826528227

minimum gb energy = 0.012680343529325936 eV
minimum distance =  2.3677468735202 Angstroms
sigma value = 1


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

Energy: 1.7352607337162191
Energy: 1.460744462336671
Energy: 1.5864721655529717
Energy: 1.4607444623354724
Energy: 1.7352607337150205
Energy: 1.4607444623354724
Energy: 1.6190074628524675
Energy: 1.3898783721872519
Energy: 1.615870739379088
Energy: 1.3898783721860533
Energy: 1.6190074628536661
Energy: 1.3898783721860533
Energy: 1.6356372115727262
Energy: 1.389172911725658
Energy: 1.7280880575027981
Energy: 1.3891729117232607
Energy: 1.6356372115727262
Energy: 1.3891729117232607
Energy: 1.6203253352239486
Energy: 1.3817736512969518
Energy: 1.5654352999352574
Energy: 1.3817736512969518
Energy: 1.6203253352239486
Energy: 1.3817736512969518
Energy: 1.619090000890384
Energy: 1.4381271660118087
Energy: 1.7355459433632119
Energy: 1.4381271660142059
Energy: 1.619090000890384
Energy: 1.4381271660142059
Energy: 1.6130525406303264
Energy: 1.3892415201674913
Energy: 1.623615550672854
Energy: 1.389241520165094
Energy: 1.6130525406303264
Energy: 1.3892415201638952
Energy: 1.6141141101308503
Energy: 1.389197699358255
Energy: 1.6237054313416701
Energy: 1.3891976993594537
Energy: 1.6141141101308503
Energy: 1.389197699358255
Energy: 1.735336479809451
Energy: 1.4380313961381994
Energy: 1.5691082427874932
Energy: 1.4380313961417952
Energy: 1.735336479809451
Energy: 1.4380313961405966
Energy: 1.6193031617672824
Energy: 1.345681587590091
Energy: 1.5645284826352388
Energy: 1.345681587590091
Energy: 1.6193031617672824
Energy: 1.345681587590091
Energy: 1.7370347571359712
Energy: 1.389237567548182
Energy: 1.623286390319381
Energy: 1.3892375675493809
Energy: 1.7370347571359712
Energy: 1.3892375675505795
Energy: 1.6236294618069438
Energy: 1.3817826371079844
Energy: 1.5676451375231282
Energy: 1.381782637109183
Energy: 1.6236294618069438
Energy: 1.381782637109183
Energy: 1.6305189092738301
Energy: 1.4383958407223285
Energy: 1.6301713732458571
Energy: 1.4383958407199313
Energy: 1.6305189092738301
Energy: 1.4383958407199313
Energy: 1.5680267143987412
Energy: 1.3381909443107618
Energy: 1.6243204504462592
Energy: 1.3381909443107618
Energy: 1.5680267143951452
Energy: 1.3381909443107618
Energy: 1.6241141431526216
Energy: 1.3891774468424352
Energy: 1.7370959576959781
Energy: 1.3891774468412363
Energy: 1.6241141431082715
Energy: 1.3891774468412363
Energy: 1.6175426036606353
Energy: 1.4099607664236704
Energy: 1.6179941121835262
Energy: 1.4099607664224718
Energy: 1.6175426036606353
Energy: 1.4099607664224718
Energy: 1.6262218423164359
Energy: 1.4602504323387584
Energy: 1.6224561619811557
Energy: 1.460250432339957
Energy: 1.626221842315237
Energy: 1.4602504323411556
Energy: 1.6252269517306224
Energy: 1.3894657591442745
Energy: 1.613755279429928
Energy: 1.389465759145473
Energy: 1.6252269517306224
Energy: 1.389465759145473
Energy: 1.6236525459120499
Energy: 1.3894049672060118
Energy: 1.613071941750223
Energy: 1.389404967208409
Energy: 1.623652545915646
Energy: 1.389404967208409
Energy: 1.7356572361033633
Energy: 1.4381334620208106
Energy: 1.6213688851977484
Energy: 1.4381334620184134
Energy: 1.7356572361033633
Energy: 1.4381334620172146
Energy: 1.5657002895830345
Energy: 1.381645837815998
Energy: 1.6205210205389062
Energy: 1.3816458378147993
Energy: 1.5657002895806373
Energy: 1.3816458378147993
Energy: 1.7279483263095319
Energy: 1.3893974045321729
Energy: 1.635462190615943
Energy: 1.3893974045333717
Energy: 1.7279483263107305
Energy: 1.3893974045333717
Energy: 1.6154565157813867
Energy: 1.3897567901630223
Energy: 1.568181982045251
Energy: 1.3897567901618237
Energy: 1.6154565157789895
Energy: 1.3897567901606254
Energy: 1.6363569572874408
Energy: 1.438384538840369
Energy: 1.783734459052815
Energy: 1.438384538841568
Energy: 1.6363569572862422
Energy: 1.438384538841568

minimum gb energy = 1.3381909443107618 eV
minimum distance =  2.29377620849221 Angstroms
sigma value = 33


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

Energy: 1.790813842914102
Energy: 1.531381714629815
Energy: 1.6771851569487863
Energy: 1.531381714629815
Energy: 1.7908138429134202
Energy: 1.531381714629815
Energy: 1.6511831641333365
Energy: 1.4353079133337436
Energy: 1.666152220830001
Energy: 1.4353079133351072
Energy: 1.6511831258829193
Energy: 1.4353079133344253
Energy: 1.6721390239039327
Energy: 1.5307483628987015
Energy: 1.6517092603583892
Energy: 1.5307483628993834
Energy: 1.6721390239032508
Energy: 1.5307483628993834
Energy: 1.65830200279464
Energy: 1.418902088326917
Energy: 1.6557038369260562
Energy: 1.4189020883255536
Energy: 1.6583020027973672
Energy: 1.4189020883255536
Energy: 1.6577779410575855
Energy: 1.4800992326961997
Energy: 1.6812152570970174
Energy: 1.4800992326948363
Energy: 1.657777941185018
Energy: 1.4800992326948363
Energy: 1.651149476621388
Energy: 1.4801427254255655
Energy: 1.664203603702358
Energy: 1.4801427254248838
Energy: 1.651141648140833
Energy: 1.480142725424202
Energy: 1.6513135213299317
Energy: 1.48011399891442
Energy: 1.6745641569183416
Energy: 1.4801139989157526
Energy: 1.6513188752274632
Energy: 1.480113998915071
Energy: 1.6785381718043977
Energy: 1.4799948913768668
Energy: 1.6506368423463236
Energy: 1.4799948913775485
Energy: 1.6785381718030339
Energy: 1.4799948913775485
Energy: 1.6561856739353764
Energy: 1.4188472947323532
Energy: 1.651759261452845
Energy: 1.4188472947323532
Energy: 1.6561875058757036
Energy: 1.4188472947323532
Energy: 1.7915243760336073
Energy: 1.5308263709082506
Energy: 1.6557144567761009
Energy: 1.5308263709082506
Energy: 1.791524376034289
Energy: 1.5308263709082506
Energy: 1.6506660474926098
Energy: 1.3872424497657474
Energy: 1.656017849811956
Energy: 1.3872424497664293
Energy: 1.6506660474837465
Energy: 1.3872424497664293
Energy: 1.991656645064145
Energy: 1.4802770347602008
Energy: 1.6887874659105486
Energy: 1.4802770347602008
Energy: 1.991656645064145
Energy: 1.4802770347602008
Energy: 1.6559132845715467
Energy: 1.4600617762216512
Energy: 1.65168982514702
Energy: 1.460061776222333
Energy: 1.6559125709493838
Energy: 1.4600617762216512
Energy: 1.6757676278308145
Energy: 1.531208229161529
Energy: 1.648230154197947
Energy: 1.5312082291622113
Energy: 1.6757676278314964
Energy: 1.5312082291622113
Energy: 1.651220202891779
Energy: 1.480323217552851
Energy: 1.6606688536005279
Energy: 1.4803232175542145
Energy: 1.6512165348609265
Energy: 1.4803232175535328
Energy: 1.6510958180304485
Energy: 1.4800976556688643
Energy: 1.6886788768970937
Energy: 1.4800976556681824
Energy: 1.6510967082111734
Energy: 1.4800976556681824
Energy: 1.6559217568445102
Energy: 1.4800758162971033
Energy: 1.6557713003304173
Energy: 1.4800758162977854
Energy: 1.6559189097663356
Energy: 1.4800758162977854
Energy: 1.6559072917624038
Energy: 1.435207199392628
Energy: 1.6770096378551813
Energy: 1.435207199391264
Energy: 1.6557083936628954
Energy: 1.4352071993919462
Energy: 1.6810927368164
Energy: 1.480242747517296
Energy: 1.65082330161526
Energy: 1.4802427475179776
Energy: 1.6810927368170816
Energy: 1.4802427475179776
Energy: 1.6569463648874834
Energy: 1.4190659718655374
Energy: 1.6519033375923076
Energy: 1.4190659718641738
Energy: 1.6569463537506308
Energy: 1.4190659718641738
Energy: 1.9873433638939912
Energy: 1.5310903805066616
Energy: 1.6636817109089719
Energy: 1.5310903805066616
Energy: 1.9873433638946731
Energy: 1.5310903805059797
Energy: 1.6514098670500617
Energy: 1.3870088307921553
Energy: 1.6664945689004753
Energy: 1.3870088307914734
Energy: 1.6514098670473345
Energy: 1.3870088307914734
Energy: 1.7946026526423826
Energy: 1.480057900885299
Energy: 1.6813336333108344
Energy: 1.4800579008846173
Energy: 1.7946026526417007
Energy: 1.4800579008846173
Energy: 1.6661875829238892
Energy: 1.4356691345864256
Energy: 1.6572435754261627
Energy: 1.4356691345871075
Energy: 1.6661875829245711
Energy: 1.4356691345864256
Energy: 1.6635899024495064
Energy: 1.4800382538171553
Energy: 1.6521181896878996
Energy: 1.4800382538171553
Energy: 1.6635899008541533
Energy: 1.4800382538171553
Energy: 1.6489030317860784
Energy: 1.530817563736347
Energy: 1.6783826656869918
Energy: 1.5308175637356651
Energy: 1.6488937357819646
Energy: 1.5308175637356651
Energy: 1.6489338565994993
Energy: 1.5308417653285553
Energy: 1.6809158722735114
Energy: 1.5308417653306008
Energy: 1.6488580206445864
Energy: 1.5308417653299191
Energy: 1.6636196081631556
Energy: 1.4800050906952362
Energy: 1.6521500024554416
Energy: 1.4800050906952362
Energy: 1.663619604447008
Energy: 1.4800050906952362
Energy: 1.6663790427790488
Energy: 1.4353539220198213
Energy: 1.6572598875557485
Energy: 1.4353539220198213
Energy: 1.6663790427797305
Energy: 1.4353539220198213
Energy: 1.7945983696288816
Energy: 1.4800529352797305
Energy: 1.6665241232071273
Energy: 1.4800529352797305
Energy: 1.7945983696281997
Energy: 1.4800529352790486
Energy: 1.6513938925555867
Energy: 1.3870088307880644
Energy: 1.6662861703928278
Energy: 1.387008830786701
Energy: 1.6513938925603593
Energy: 1.387008830786701
Energy: 1.987318808875996
Energy: 1.531136892434261
Energy: 1.6636789004388182
Energy: 1.5311368924356246
Energy: 1.987318808875996
Energy: 1.5311368924356246
Energy: 1.656943151593395
Energy: 1.4190842808364894
Energy: 1.6516068219036248
Energy: 1.4190842808371713
Energy: 1.6569431516444983
Energy: 1.4190842808364894
Energy: 1.6810941139299664
Energy: 1.4802471450775427
Energy: 1.6508979379701982
Energy: 1.480247145076861
Energy: 1.681094113932012
Energy: 1.480247145076861
Energy: 1.65590004904303
Energy: 1.4351999715821304
Energy: 1.6702322204323754
Energy: 1.4351999715800847
Energy: 1.6558914344295799
Energy: 1.4351999715800847
Energy: 1.6559180245475407
Energy: 1.480080773743249
Energy: 1.6600507052041757
Energy: 1.480080773743249
Energy: 1.6559339216102924
Energy: 1.480080773743249
Energy: 1.6512253511735933
Energy: 1.480046190299539
Energy: 1.669128014367182
Energy: 1.4800461903002209
Energy: 1.6512266492996277
Energy: 1.4800461903002209
Energy: 1.651117930316668
Energy: 1.4803491253697125
Energy: 1.6606301331181674
Energy: 1.4803491253703942
Energy: 1.651314007325098
Energy: 1.4803491253703942
Energy: 1.675641331989809
Energy: 1.531204049279256
Energy: 1.648082523005645
Energy: 1.5312040492772105
Energy: 1.6756413319911725
Energy: 1.5312040492778924
Energy: 1.65584891970119
Energy: 1.460096369314522
Energy: 1.6516972796318399
Energy: 1.460096369314522
Energy: 1.6558497755009547
Energy: 1.4600963693138402
Energy: 1.9916414349788452
Energy: 1.480257314998699
Energy: 1.6691909961173574
Energy: 1.4802573149980174
Energy: 1.991641434980209
Energy: 1.4802573149980174

minimum gb energy = 1.387008830786701 eV
minimum distance =  2.28365995538005 Angstroms
sigma value = 51


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

Energy: 2.2851467581786618
Energy: 1.5858659162524191
Energy: 1.652132973270063
Energy: 1.5858659162508397
Energy: 2.285146758177082
Energy: 1.5858659162508397
Energy: 1.644624459891214
Energy: 1.4525393769792019
Energy: 1.9130170195879816
Energy: 1.4525393769792019
Energy: 1.6446244598896345
Energy: 1.452539376980782
Energy: 1.6589605316417138
Energy: 1.5858622523113974
Energy: 1.9087886696404472
Energy: 1.585862252312977
Energy: 1.6589605316511917
Energy: 1.585862252312977
Energy: 1.6401303737137802
Energy: 1.4528368266407252
Energy: 1.9125775620366543
Energy: 1.4528368266407252
Energy: 1.6401303737122006
Energy: 1.4528368266407252
Energy: 1.6409913265919582
Energy: 1.4522964610303883
Energy: 1.9091297282403525
Energy: 1.4522964610303883
Energy: 1.6409913265919582
Energy: 1.4522964610303883
Energy: 1.9213908730521327
Energy: 1.4523860375684485
Energy: 1.9113606491192403
Energy: 1.4523860375668687
Energy: 1.921390873050553
Energy: 1.4523860375668687
Energy: 1.9225652413914915
Energy: 1.4525998507634954
Energy: 1.909505059558308
Energy: 1.4525998507634954
Energy: 1.9225652413914915
Energy: 1.4525998507634954
Energy: 1.6400940535805415
Energy: 1.452130088319949
Energy: 1.653909755067201
Energy: 1.452130088319949
Energy: 1.6400940535773822
Energy: 1.452130088319949
Energy: 1.9226279386722351
Energy: 1.3250434674304465
Energy: 1.6563364749551368
Energy: 1.325043467428867
Energy: 1.9226279386722351
Energy: 1.325043467428867
Energy: 1.6406866489464482
Energy: 1.5857827311327528
Energy: 1.6538854695308873
Energy: 1.5857827311327528
Energy: 1.6406866489480283
Energy: 1.5857827311327528
Energy: 1.9233211880848275
Energy: 1.453015135220082
Energy: 1.9107399260583815
Energy: 1.4530151352216616
Energy: 1.9233211880848275
Energy: 1.4530151352216616
Energy: 1.920683815375573
Energy: 1.585809841685512
Energy: 1.9107925807000432
Energy: 1.5858098416839321
Energy: 1.920683815375573
Energy: 1.5858098416839321
Energy: 1.78316025791332
Energy: 1.4528077670139397
Energy: 1.9107073930716933
Energy: 1.4528077670139397
Energy: 1.78316025791332
Energy: 1.4528077670139397
Energy: 1.6407340782218065
Energy: 1.5858596476842666
Energy: 1.9089225341606735
Energy: 1.5858596476858462
Energy: 1.6407340782281254
Energy: 1.5858596476858462
Energy: 1.6402054068820437
Energy: 1.5859563296418167
Energy: 1.909841398939237
Energy: 1.5859563296418167
Energy: 1.6402054068820437
Energy: 1.5859563296418167
Energy: 1.6588893264811995
Energy: 1.4524950098122351
Energy: 1.9093754059023258
Energy: 1.4524950098122351
Energy: 1.6588893264796198
Energy: 1.4524950098122351
Energy: 1.9213679995227582
Energy: 1.5858070147490217
Energy: 1.913280247105001
Energy: 1.5858070147490217
Energy: 1.9213679995227582
Energy: 1.5858070147490217
Energy: 1.9230914782388826
Energy: 1.4529414995904582
Energy: 1.9093191418201252
Energy: 1.452941499592038
Energy: 1.923091478237303
Energy: 1.452941499592038

minimum gb energy = 1.325043467428867 eV
minimum distance =  2.2848674623197 Angstroms
sigma value = 19


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

Energy: 1.8325400425398959
Energy: 1.5785777869711612
Energy: 1.861510917279701
Energy: 1.5785777869711612
Energy: 1.8325400425417702
Energy: 1.5785777869711612
Energy: 1.8190812877461076
Energy: 1.4767377169141187
Energy: 1.8196886697502477
Energy: 1.4767377169141187
Energy: 1.8190812877479814
Energy: 1.476737716915056
Energy: 1.8451386590121717
Energy: 1.5783938347085495
Energy: 1.8192796317467042
Energy: 1.5783938347076125
Energy: 1.8451386590112344
Energy: 1.5783938347076125
Energy: 1.8357672326951862
Energy: 1.4757928005873164
Energy: 1.8197560923605438
Energy: 1.4757928005882535
Energy: 1.8357672326951862
Energy: 1.4757928005873164
Energy: 1.8342469784226711
Energy: 1.5784752849413808
Energy: 1.8198054968040651
Energy: 1.5784752849413808
Energy: 1.8342510432346053
Energy: 1.5784752849413808
Energy: 1.8198353396125464
Energy: 1.5784711181286406
Energy: 1.8342498878093991
Energy: 1.5784711181286406
Energy: 1.8198353396144205
Energy: 1.5784711181286406
Energy: 1.8197482789649884
Energy: 1.4757243839946985
Energy: 1.835773046465253
Energy: 1.4757243839946985
Energy: 1.8197482789631143
Energy: 1.4757243839946985
Energy: 1.8195354541705573
Energy: 1.5783868257278537
Energy: 1.8451104563509098
Energy: 1.5783868257269165
Energy: 1.819535454171494
Energy: 1.5783868257269165
Energy: 1.8197778411186183
Energy: 1.4767490628571767
Energy: 1.8190690606590516
Energy: 1.4767490628571767
Energy: 1.819777841116744
Energy: 1.4767490628571767
Energy: 1.8615109172787638
Energy: 1.5785777869720983
Energy: 1.8325400425408331
Energy: 1.5785777869720983
Energy: 1.8615109172787638
Energy: 1.5785777869711612
Energy: 1.8196886697474366
Energy: 1.4767377169141187
Energy: 1.8339806689580984
Energy: 1.476737716913182
Energy: 1.8196886697493104
Energy: 1.476737716913182
Energy: 1.8192796317476414
Energy: 1.5783938347066757
Energy: 1.8451386590102978
Energy: 1.5783938347076125
Energy: 1.8192796317467042
Energy: 1.5783938347076125
Energy: 1.8197560923567957
Energy: 1.4757928005863796
Energy: 1.8357672326951862
Energy: 1.4757928005873164
Energy: 1.8197560923605438
Energy: 1.4757928005873164
Energy: 1.819805496806876
Energy: 1.5784752849413808
Energy: 1.8342466175132832
Energy: 1.5784752849404438
Energy: 1.8198054968059392
Energy: 1.5784752849413808
Energy: 1.8342504645441815
Energy: 1.5784711181286406
Energy: 1.8198353396125464
Energy: 1.5784711181295774
Energy: 1.8342552327985995
Energy: 1.5784711181295774
Energy: 1.852007857031644
Energy: 1.4757243839956358
Energy: 1.8197482789631143
Energy: 1.4757243839956358
Energy: 1.852007857030707
Energy: 1.4757243839956358
Energy: 1.8451104563518468
Energy: 1.5783868257269165
Energy: 1.819535454171494
Energy: 1.5783868257269165
Energy: 1.8451104563518468
Energy: 1.5783868257269165
Energy: 1.8190690606581144
Energy: 1.476749062858114
Energy: 1.819777841119555
Energy: 1.476749062858114
Energy: 1.8190690606581144
Energy: 1.476749062858114
Energy: 1.8325400425408331
Energy: 1.5785777869720983
Energy: 1.861510917279701
Energy: 1.5785777869711612
Energy: 1.8325400425427074
Energy: 1.5785777869711612
Energy: 1.81565642553325
Energy: 1.4767377169141187
Energy: 1.8196886697474366
Energy: 1.476737716915056
Energy: 1.81565642553325
Energy: 1.476737716915056
Energy: 1.8451386590121717
Energy: 1.5783938347076125
Energy: 1.8192796317476414
Energy: 1.5783938347076125
Energy: 1.8451386590112344
Energy: 1.5783938347076125
Energy: 1.8357672326942491
Energy: 1.4757928005882535
Energy: 1.819756092359607
Energy: 1.4757928005873164
Energy: 1.8357672326951862
Energy: 1.4757928005873164
Energy: 1.8342436198798941
Energy: 1.5784752849413808
Energy: 1.8198054968040651
Energy: 1.5784752849413808
Energy: 1.834248210268861
Energy: 1.5784752849413808
Energy: 1.8198353396106721
Energy: 1.5784711181277036
Energy: 1.834249989120851
Energy: 1.5784711181286406
Energy: 1.8198353396116094
Energy: 1.5784711181286406
Energy: 1.8197482789612403
Energy: 1.4757243839946985
Energy: 1.852007857031644
Energy: 1.4757243839946985
Energy: 1.8197482789612403
Energy: 1.4757243839946985
Energy: 1.819535454171494
Energy: 1.5783868257269165
Energy: 1.8451104563509098
Energy: 1.5783868257269165
Energy: 1.819535454171494
Energy: 1.5783868257269165
Energy: 1.819777841117681
Energy: 1.4767490628571767
Energy: 1.8190690606590516
Energy: 1.4767490628571767
Energy: 1.819777841116744
Energy: 1.4767490628562612
Energy: 1.8615109172787638
Energy: 1.5785777869711612
Energy: 1.8325400425408331
Energy: 1.5785777869720983
Energy: 1.8615109172787638
Energy: 1.5785777869720983
Energy: 1.8196886697511847
Energy: 1.476737716913182
Energy: 1.81565642553325
Energy: 1.476737716913182
Energy: 1.8196886697521215
Energy: 1.4767377169141187
Energy: 1.8192796317467042
Energy: 1.5783938347076125
Energy: 1.8451386590112344
Energy: 1.5783938347076125
Energy: 1.8192796317467042
Energy: 1.5783938347076125

minimum gb energy = 1.4757243839946985 eV
minimum distance =  2.2763427885653 Angstroms
sigma value = 27


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

Energy: 1.8277706401516047
Energy: 1.306023998364282
Energy: 1.9013143613702075
Energy: 1.3060239983647517
Energy: 1.82777064015137
Energy: 1.3060239983647517
Energy: 1.8162953266671835
Energy: 1.3065840662499268
Energy: 1.823116126769662
Energy: 1.3065840662503703
Energy: 1.8162953266667141
Energy: 1.3065840662506052
Energy: 1.8444049663164905
Energy: 1.5893765027690998
Energy: 1.823695482087739
Energy: 1.5893765027702476
Energy: 1.8444049663162556
Energy: 1.5893765027700129
Energy: 1.8178957324638798
Energy: 1.3068612161929878
Energy: 1.8237125011799697
Energy: 1.3068612161929878
Energy: 1.8178957324640885
Energy: 1.3068612161932227
Energy: 1.8237324970671311
Energy: 1.3064007533215936
Energy: 1.8224931192786158
Energy: 1.3064007533215936
Energy: 1.8237324970671311
Energy: 1.3064007533215936
Energy: 1.8234519883320635
Energy: 1.5895452202355411
Energy: 1.821899369404082
Energy: 1.589545220236245
Energy: 1.8234519883318288
Energy: 1.5895452202360103
Energy: 1.837257519674902
Energy: 1.308100161055255
Energy: 1.8238164634894944
Energy: 1.3081001610550202
Energy: 1.837257519675606
Energy: 1.3081001610547855
Energy: 1.818049747900251
Energy: 1.3059446793087095
Energy: 1.8234367126511528
Energy: 1.3059446793082399
Energy: 1.8180497479000162
Energy: 1.3059446793082399
Energy: 1.8248111438300867
Energy: 1.3080277068206423
Energy: 1.936273278289199
Energy: 1.3080277068215551
Energy: 1.8248111438303212
Energy: 1.3080277068217638
Energy: 1.8236421725707843
Energy: 1.589229336204923
Energy: 1.823602418169019
Energy: 1.589229336204923
Energy: 1.8236421725707843
Energy: 1.589229336204923
Energy: 1.8222893678146248
Energy: 1.307993478715245
Energy: 1.8247702527328429
Energy: 1.307993478714567
Energy: 1.8222893678148593
Energy: 1.3079934787140974
Energy: 1.8233804550417991
Energy: 1.3059956630106033
Energy: 1.8181208672587912
Energy: 1.3059956630110727
Energy: 1.8233804550413295
Energy: 1.3059956630110727

minimum gb energy = 1.3059446793082399 eV
minimum distance =  2.2861976262408 Angstroms
sigma value = 9


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

Energy: 1.8192806304188163
Energy: 1.6528129675709808
Energy: 1.8471080263997193
Energy: 1.6528129675709808
Energy: 1.8192806304201061
Energy: 1.6528129675709808
Energy: 1.8245716716813445
Energy: 1.4880184271783217
Energy: 1.819476092260581
Energy: 1.4880184271789667
Energy: 1.8245716716832794
Energy: 1.4880184271783217
Energy: 1.878064264456592
Energy: 1.6554146590915813
Energy: 1.8193323238764443
Energy: 1.655414659092871
Energy: 1.878064264454657
Energy: 1.6554146590922263
Energy: 1.8261280303592893
Energy: 1.5963241680673887
Energy: 1.8226205607968122
Energy: 1.5963241680667437
Energy: 1.8261280303592893
Energy: 1.5963241680667437
Energy: 1.8219179948963296
Energy: 1.596436683487001
Energy: 1.7700264627178548
Energy: 1.5964366834876458
Energy: 1.821917994898264
Energy: 1.5964366834882906
Energy: 1.8245168403478822
Energy: 1.7350785604123473
Energy: 1.8154909131701433
Energy: 1.7350785604104124
Energy: 1.824516840350462
Energy: 1.7350785604110572
Energy: 1.8394476163070794
Energy: 1.593735104245557
Energy: 1.814781118251532
Energy: 1.593735104245557
Energy: 1.8394476163070794
Energy: 1.593735104245557
Energy: 1.8138817768794697
Energy: 1.5958439652699434
Energy: 1.8212583373802957
Energy: 1.5958439652686536
Energy: 1.8138817768801145
Energy: 1.5958439652686536
Energy: 1.8458742643731307
Energy: 1.6633760318974569
Energy: 1.800075166897738
Energy: 1.6633760318981017
Energy: 1.845874264371196
Energy: 1.6633760318974569
Energy: 1.8151993762762295
Energy: 1.6548976307713328
Energy: 1.832720078933035
Energy: 1.654897630769398
Energy: 1.8151993762762295
Energy: 1.654897630769398
Energy: 1.766352519836613
Energy: 1.5387151854678927
Energy: 1.8187274898119083
Energy: 1.5387151854685375
Energy: 1.766352519836613
Energy: 1.5387151854691825
Energy: 1.8160999116747507
Energy: 1.5958604521763242
Energy: 1.8160865465395295
Energy: 1.595860452177614
Energy: 1.8160999116753955
Energy: 1.595860452177614
Energy: 1.8281296249001278
Energy: 1.7323796640902804
Energy: 1.8271573798973217
Energy: 1.7323796640896354
Energy: 1.828129624898838
Energy: 1.7323796640902804
Energy: 1.8420780445188896
Energy: 1.6548787603054527
Energy: 1.8268841050790356
Energy: 1.6548787603054527
Energy: 1.8420780445182448
Energy: 1.6548787603054527
Energy: 1.8165270689668553
Energy: 1.5950818790959307
Energy: 1.8187923821761551
Energy: 1.5950818790965753
Energy: 1.8165270689681452
Energy: 1.5950818790965753
Energy: 1.823078650912493
Energy: 1.5376807670708081
Energy: 1.8159636263566088
Energy: 1.5376807670727424
Energy: 1.8230786509150725
Energy: 1.5376807670727424
Energy: 1.8157008751508852
Energy: 1.6539635541903048
Energy: 1.8362486153460928
Energy: 1.6539635541903048
Energy: 1.8157008751508852
Energy: 1.6539635541896598
Energy: 1.825905736796918
Energy: 1.694204931902933
Energy: 1.8181030018051036
Energy: 1.6942049319035781
Energy: 1.825905736796918
Energy: 1.6942049319035781
Energy: 1.814512365228943
Energy: 1.6538533737483556
Energy: 1.8276641083039349
Energy: 1.6538533737483556
Energy: 1.8145123652295878
Energy: 1.6538533737483556
Energy: 1.8250561925748565
Energy: 1.6637980071279135
Energy: 1.8250359057582384
Energy: 1.6637980071272687
Energy: 1.8250561925748565
Energy: 1.6637980071272687
Energy: 1.8276552996328783
Energy: 1.6538547023707615
Energy: 1.814545701756214
Energy: 1.6538547023707615
Energy: 1.8276552996328783
Energy: 1.6538547023707615
Energy: 1.818178941095955
Energy: 1.6942090997555295
Energy: 1.825738724624698
Energy: 1.6942090997535948
Energy: 1.8181789410965998
Energy: 1.6942090997535948
Energy: 1.836247558961183
Energy: 1.6539628519644514
Energy: 1.815850374278683
Energy: 1.6539628519644514
Energy: 1.836247558960538
Energy: 1.6539628519644514
Energy: 1.8160332132162398
Energy: 1.5376700231468385
Energy: 1.823059351111253
Energy: 1.5376700231468385
Energy: 1.816033213214305
Energy: 1.5376700231461937
Energy: 1.8187918519402395
Energy: 1.5950978186459341
Energy: 1.8165184638470122
Energy: 1.5950978186478688
Energy: 1.8187918519389497
Energy: 1.5950978186478688
Energy: 1.8278438608705931
Energy: 1.6548824889477276
Energy: 1.8420101554623334
Energy: 1.6548824889470828
Energy: 1.8278438608693037
Energy: 1.6548824889470828
Energy: 1.8274552317492883
Energy: 1.7323963448489144
Energy: 1.8281047826598733
Energy: 1.7323963448489144
Energy: 1.8274552317486434
Energy: 1.7323963448482698
Energy: 1.8161038387163126
Energy: 1.5958688372671712
Energy: 1.8160746802363856
Energy: 1.5958688372671712
Energy: 1.8161038387156676
Energy: 1.5958688372671712
Energy: 1.8187025378655972
Energy: 1.5387305640690498
Energy: 1.8324761717399005
Energy: 1.53873056406776
Energy: 1.8187025378655972
Energy: 1.53873056406776
Energy: 1.8327222863338306
Energy: 1.6549143317169026
Energy: 1.8152133077434234
Energy: 1.6549143317175474
Energy: 1.8327222863344752
Energy: 1.6549143317181922
Energy: 1.8169293840303138
Energy: 1.6633760318987467
Energy: 1.8463663140668871
Energy: 1.6633760318987467
Energy: 1.8169293840303138
Energy: 1.6633760318987467
Energy: 1.8213238404935421
Energy: 1.595846858282119
Energy: 1.813874178377889
Energy: 1.5958468582840533
Energy: 1.8213238404909624
Energy: 1.5958468582840533
Energy: 1.8145987356525848
Energy: 1.5937281072723604
Energy: 1.8396235564225523
Energy: 1.5937281072710705
Energy: 1.81459873565065
Energy: 1.5937281072710705
Energy: 1.8154382129332605
Energy: 1.691960649302086
Energy: 1.8245188778099255
Energy: 1.6919606493014412
Energy: 1.8154382129332605
Energy: 1.6919606493014412
Energy: 1.8233616606666876
Energy: 1.5964436735866037
Energy: 1.822534943888443
Energy: 1.5964436735904732
Energy: 1.8233616606660428
Energy: 1.5964436735872485
Energy: 1.8221151106711402
Energy: 1.596122801675674
Energy: 1.8261202493669273
Energy: 1.5961228016750293
Energy: 1.8221151106704951
Energy: 1.5961228016750293
Energy: 1.8192947388513165
Energy: 1.6554768077396966
Energy: 1.8780676723137149
Energy: 1.6554768077390516
Energy: 1.8192947388500265
Energy: 1.6554768077396966
Energy: 1.8194727217340718
Energy: 1.5963204888028526
Energy: 1.8245501163499631
Energy: 1.5963204888028526
Energy: 1.8194727217372961
Energy: 1.5963204888028526
Energy: 1.8316330124350733
Energy: 1.6528129675684013
Energy: 1.8192806304207507
Energy: 1.652812967569691
Energy: 1.8316330124350733
Energy: 1.6528129675690464
Energy: 1.8194760922618711
Energy: 1.4880184271770318
Energy: 1.8245716716839244
Energy: 1.4880184271776769
Energy: 1.8194760922618711
Energy: 1.4880184271770318
Energy: 1.819332323879024
Energy: 1.6554146590922263
Energy: 1.8780642644559469
Energy: 1.6554146590915813
Energy: 1.819332323879024
Energy: 1.6554146590915813
Energy: 1.8226205607955226
Energy: 1.5963241680673887
Energy: 1.8261280303599343
Energy: 1.5963241680680333
Energy: 1.8226205607968122
Energy: 1.5963241680680333
Energy: 1.8238932335446985
Energy: 1.596436683486356
Energy: 1.8219179948995539
Energy: 1.596436683487001
Energy: 1.8238932335427935
Energy: 1.596436683487001

minimum gb energy = 1.4880184271770318 eV
minimum distance =  2.25718369778768 Angstroms
sigma value = 57


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

Energy: 1.6305448634425694
Energy: 1.6967035169454427
Energy: 1.6911914243666848
Energy: 1.6967035169439746
Energy: 1.6305448634396333
Energy: 1.6967035169439746
Energy: 1.6537774240208203
Energy: 1.4606397528618338
Energy: 1.6469147893690022
Energy: 1.4606397528618338
Energy: 1.6537774240193521
Energy: 1.4606397528603656
Energy: 1.634889899290612
Energy: 1.5760402823486013
Energy: 1.645710893062451
Energy: 1.5760402823486013
Energy: 1.634889899290612
Energy: 1.5760402823471331
Energy: 1.6821771782935309
Energy: 1.562935436322523
Energy: 1.647199465374475
Energy: 1.562935436322523
Energy: 1.6821771782935309
Energy: 1.562935436322523
Energy: 1.6840891402009408
Energy: 1.6967756511527732
Energy: 1.6464781050219268
Energy: 1.6967756511527732
Energy: 1.6840891402009408
Energy: 1.6967756511527732
Energy: 1.674215564101867
Energy: 1.5762204440062522
Energy: 1.6337428774135438
Energy: 1.5762204440062522
Energy: 1.674215564101867
Energy: 1.5762204440062522
Energy: 1.6743316437366167
Energy: 1.5763900524894943
Energy: 1.633817291021936
Energy: 1.5763900524894943
Energy: 1.6743316437351488
Energy: 1.5763900524894943
Energy: 1.684099764857794
Energy: 1.696775254099312
Energy: 1.6464641862102207
Energy: 1.696775254099312
Energy: 1.684099764857794
Energy: 1.696775254099312
Energy: 1.682170259598168
Energy: 1.5629213291391253
Energy: 1.668453427049538
Energy: 1.5629213291391253
Energy: 1.682170259598168
Energy: 1.5629213291391253
Energy: 1.634882717661164
Energy: 1.5760572614706037
Energy: 1.645693821610857
Energy: 1.5760572614691355
Energy: 1.634882717661164
Energy: 1.5760572614706037
Energy: 1.6534302776948095
Energy: 1.4606397528618338
Energy: 1.6469449980510382
Energy: 1.4606397528633017
Energy: 1.6534302776962777
Energy: 1.4606397528618338
Energy: 1.6305448634352293
Energy: 1.6967035169454427
Energy: 1.6797808794737683
Energy: 1.6967035169454427
Energy: 1.6305448634396333
Energy: 1.6967035169439746
Energy: 1.6537774240208203
Energy: 1.4606397528618338
Energy: 1.6345409668242892
Energy: 1.4606397528618338
Energy: 1.6537774240208203
Energy: 1.4606397528618338
Energy: 1.634889899290612
Energy: 1.5760402823486013
Energy: 1.645710893060983
Energy: 1.5760402823486013
Energy: 1.6348898992920802
Energy: 1.5760402823486013
Energy: 1.6821771782935309
Energy: 1.562935436322523
Energy: 1.647199465373007
Energy: 1.562935436322523
Energy: 1.6821771782935309
Energy: 1.562935436322523
Energy: 1.6840891401994729
Energy: 1.6967756511527732
Energy: 1.6353911458351884
Energy: 1.6967756511527732
Energy: 1.6840891402009408
Energy: 1.6967756511527732
Energy: 1.674215564101867
Energy: 1.5762204440062522
Energy: 1.6337428774135438
Energy: 1.5762204440062522
Energy: 1.674215564101867
Energy: 1.5762204440062522
Energy: 1.6743316437351488
Energy: 1.5763900524894943
Energy: 1.633817291023404
Energy: 1.5763900524894943
Energy: 1.6743316437351488
Energy: 1.5763900524894943
Energy: 1.684099764857794
Energy: 1.696775254099312
Energy: 1.6464641862102207
Energy: 1.6967752541007801
Energy: 1.684099764857794
Energy: 1.6967752541007801

minimum gb energy = 1.4606397528603656 eV
minimum distance =  2.22966235332769 Angstroms
sigma value = 11


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

Energy: 1.408070034813819
Energy: 1.6032669304177103
Energy: 1.4494524764035346
Energy: 1.603266930416635
Energy: 1.4080700348127437
Energy: 1.603266930416635
Energy: 1.394271315602447
Energy: 1.4240651267929194
Energy: 1.3950994608526017
Energy: 1.4240651267907687
Energy: 1.3942713155981454
Energy: 1.424065126789693
Energy: 1.4267236065588111
Energy: 1.5294319030368104
Energy: 1.4219939367930292
Energy: 1.5294319030368104
Energy: 1.4267236065609619
Energy: 1.5294319030368104
Energy: 1.4118478674559383
Energy: 1.4634936806633567
Energy: 1.3952696142421899
Energy: 1.4634936806633567
Energy: 1.4118478674559383
Energy: 1.4634936806633567
Energy: 1.39262763280503
Energy: 1.6035700730128388
Energy: 1.418124735159095
Energy: 1.6035700730128388
Energy: 1.3926276328039546
Energy: 1.6035700730128388
Energy: 1.4331236124827327
Energy: 1.5443612811037373
Energy: 1.3970158532326176
Energy: 1.5443612811037373
Energy: 1.4331236124816573
Energy: 1.5443612811037373
Energy: 1.4359076457217486
Energy: 1.529725340950197
Energy: 1.3938414212979904
Energy: 1.529725340950197
Energy: 1.4359076457217486
Energy: 1.529725340950197
Energy: 1.4362502072731214
Energy: 1.6040104509709316
Energy: 1.3806356310600607
Energy: 1.6040104509698563
Energy: 1.4362502072731214
Energy: 1.6040104509698563
Energy: 1.436992735721772
Energy: 1.6034807222334335
Energy: -0.06047778547146632
Energy: 1.6034807222312828
Energy: 1.4369927357239227
Energy: 1.6034807222323582
Energy: 1.4336711964462934
Energy: 1.528615811293694
Energy: 1.395793393496349
Energy: 1.5286158112947696
Energy: 1.4336711964462934
Energy: 1.5286158112947696
Energy: 1.4345222417447692
Energy: 1.5440882453668296
Energy: 1.395400201242286
Energy: 1.544088245367905
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Energy: 1.5440882453689804
Energy: 1.392980138950738
Energy: 1.6035107472913102
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Energy: 1.6035107472902348
Energy: 1.392980138950738
Energy: 1.6035107472902348
Energy: 1.4310622113770792
Energy: 1.4630634179612585
Energy: 1.4180385620281069
Energy: 1.4630634179601834
Energy: 1.4310622113770792
Energy: 1.4630634179601834
Energy: 1.3966391239382996
Energy: 1.5282268409667892
Energy: 1.423449972526442
Energy: 1.5282268409667892
Energy: 1.3966391239382996
Energy: 1.5282268409667892
Energy: 1.393567041817471
Energy: 1.423426536078306
Energy: 1.3956528649545974
Energy: 1.4234265360772305
Energy: 1.3935670418142447
Energy: 1.4234265360772305
Energy: 1.3919119260607542
Energy: 1.6060818841036562
Energy: 1.431942765172807
Energy: 1.6060818841047313
Energy: 1.3919119260618296
Energy: 1.6060818841036562
Energy: 1.4093888955326606
Energy: 1.4252817999639222
Energy: 1.4136255278647836
Energy: 1.4252817999671483
Energy: 1.4093888955348115
Energy: 1.4252817999682237
Energy: 1.3959557773208315
Energy: 1.5282147573864184
Energy: 1.4230453154877758
Energy: 1.5282147573864184
Energy: 1.3959557773208315
Energy: 1.528214757387494
Energy: 1.4106021620270508
Energy: 1.465262716385679
Energy: 1.3939597548483105
Energy: 1.4652627163867544
Energy: 1.4106021620270508
Energy: 1.4652627163867544
Energy: 1.3926780331391257
Energy: 1.603955840887157
Energy: 1.42908667904481
Energy: 1.603955840890383
Energy: 1.3926780331380502
Energy: 1.603955840890383
Energy: 1.4371400083262231
Energy: 1.5444512826268546
Energy: 1.3993863643243705
Energy: 1.5444512826268546
Energy: 1.4371400083240724
Energy: 1.5444512826279297
Energy: 1.4333988370644786
Energy: 1.5275876518954596
Energy: 1.392855127951016
Energy: 1.5275876518954596
Energy: 1.4333988370655542
Energy: 1.5275876518954596
Energy: 1.4366771191015608
Energy: 1.6050136191761228
Energy: 1.3808658269347296
Energy: 1.6050136191761228
Energy: 1.4366771191047871
Energy: 1.6050136191750475
Energy: 1.3928630166248803
Energy: 1.601684504528718
Energy: 1.3921233394219277
Energy: 1.601684504528718
Energy: 1.392863016627031
Energy: 1.6016845045276427
Energy: 1.430310368170089
Energy: 1.5253875204225005
Energy: 1.3981314343785478
Energy: 1.5253875204225005
Energy: 1.4303103681722398
Energy: 1.5253875204225005
Energy: 1.4327947349759045
Energy: 1.5422644508548349
Energy: 1.3934071551673068
Energy: 1.5422644508548349
Energy: 1.4327947349769798
Energy: 1.5422644508548349

minimum gb energy = -0.06047778547146632 eV
minimum distance =  2.27522890312584 Angstroms
sigma value = 41


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

Energy: 1.7248093761505865
Energy: 1.5216961602227221
Energy: 1.2404840936423078
Energy: 1.5216961602227221
Energy: 1.7248093761505865
Energy: 1.52169616022357
Energy: 1.2016041635731447
Energy: 1.267281851999719
Energy: 1.2013331587683356
Energy: 1.267281851999719
Energy: 1.2016041635739922
Energy: 1.267281851999719
Energy: 1.1837189657406184
Energy: 1.4567493306466972
Energy: 1.237551720064641
Energy: 1.4567493306466972
Energy: 1.1837189657397706
Energy: 1.456749330647545
Energy: 1.2231844471973803
Energy: 1.3105192135271784
Energy: 1.201402401535242
Energy: 1.3105192135263306
Energy: 1.2231844471973803
Energy: 1.3105192135254833
Energy: 1.215730617129065
Energy: 1.214097587865218
Energy: 1.2473562316334266
Energy: 1.214097587865218
Energy: 1.2157306171282176
Energy: 1.2140975878643705
Energy: 1.2502239192850282
Energy: 1.3985411587593037
Energy: 1.2015070277345885
Energy: 1.3985411587593037
Energy: 1.250223919285876
Energy: 1.3985411587593037
Energy: 1.2006331303047433
Energy: 1.4567971052223114
Energy: 1.2003248141993255
Energy: 1.4567971052223114
Energy: 1.2006331303047433
Energy: 1.4567971052223114
Energy: 1.2477986349446766
Energy: 1.4545400555892856
Energy: 1.1642244036610137
Energy: 1.4545400555901336
Energy: 1.2477986349455241
Energy: 1.4545400555901336
Energy: 1.2542542944528865
Energy: 1.212622223408142
Energy: 1.1983448221343758
Energy: 1.212622223408142
Energy: 1.2542542944528865
Energy: 1.2126222234089896
Energy: 1.2472115419929974
Energy: 1.4572882966841911
Energy: 1.1593739657211832
Energy: 1.4572882966833434
Energy: 1.2472115419929974
Energy: 1.4572882966833434
Energy: 1.246999485360483
Energy: 1.457848737658316
Energy: 1.16160224209354
Energy: 1.4578487376574683
Energy: 1.246999485360483
Energy: 1.4578487376574683
Energy: 1.251734130114129
Energy: 1.4546060222156056
Energy: 1.1643925026008926
Energy: 1.4546060222139103
Energy: 1.2517341301132812
Energy: 1.4546060222139103
Energy: 1.2541463419808918
Energy: 1.4040719037968834
Energy: 1.1995999808021756
Energy: 1.4040719037968834
Energy: 1.2541463419808918
Energy: 1.4040719037968834
Energy: 1.2004865544392938
Energy: 1.4573367742854502
Energy: 1.2016040595720296
Energy: 1.4573367742854502
Energy: 1.2004865544392938
Energy: 1.4573367742854502
Energy: 1.250991941438943
Energy: 1.3966953802916957
Energy: 1.200512004794147
Energy: 1.3966953802925435
Energy: 1.250991941438943
Energy: 1.3966953802925435
Energy: 1.2103483851340833
Energy: 1.454672526887761
Energy: 1.20099679615784
Energy: 1.454672526887761
Energy: 1.2103483851332357
Energy: 1.454672526887761
Energy: 1.2001116451507865
Energy: 1.3479321018287425
Energy: 1.2496240668873981
Energy: 1.3479321018287425
Energy: 1.2001116451499387
Energy: 1.3479321018287425
Energy: 1.167100933738755
Energy: 1.4573426786104269
Energy: 1.2415955132975485
Energy: 1.4573426786104269
Energy: 1.167100933738755
Energy: 1.4573426786104269
Energy: 1.2023798685558633
Energy: 1.2655399158993244
Energy: 1.2001725499434177
Energy: 1.2655399159010197
Energy: 1.2023798685550158
Energy: 1.2655399159010197
Energy: 1.1623662515627242
Energy: 1.45434234704471
Energy: 1.252724195586261
Energy: 1.4543423470455574
Energy: 1.1623662515644195
Energy: 1.4543423470455574
Energy: 1.1920513429668465
Energy: 1.2732768406016852
Energy: 1.2495347306672233
Energy: 1.2732768406033803
Energy: 1.1920513429668465
Energy: 1.2732768406033803
Energy: 1.1672444302311806
Energy: 1.457315211468981
Energy: 1.2395976516243807
Energy: 1.4573152114681334
Energy: 1.167244430232028
Energy: 1.4573152114681334
Energy: 1.2473795047755445
Energy: 1.2473209313745943
Energy: 1.1999273604991383
Energy: 1.2473209313754419
Energy: 1.2473795047755445
Energy: 1.2473209313754419
Energy: 1.2100565095528149
Energy: 1.4051352338839265
Energy: 1.2472019529504175
Energy: 1.4051352338839265
Energy: 1.2100565095528149
Energy: 1.405135233884774
Energy: 1.2499499600408779
Energy: 1.404261195498211
Energy: 1.2047900602930097
Energy: 1.404261195498211
Energy: 1.2499499600400303
Energy: 1.404261195498211
Energy: 1.2002270252384564
Energy: 1.2412743348894049
Energy: 1.2006722553441693
Energy: 1.2412743348911
Energy: 1.2002270252384564
Energy: 1.2412743348902522
Energy: 1.247357483875313
Energy: 1.457678470924019
Energy: 1.1648932088628992
Energy: 1.457678470925714
Energy: 1.247357483876161
Energy: 1.457678470925714
Energy: 1.252035257814307
Energy: 1.4120294875807167
Energy: 1.2001244929502923
Energy: 1.4120294875798693
Energy: 1.252035257814307
Energy: 1.4120294875807167
Energy: 1.2473440871942032
Energy: 1.4576742473057631
Energy: 1.159147684461985
Energy: 1.4576742473057631
Energy: 1.2473440871891177
Energy: 1.4576742473057631
Energy: 1.2005102325900658
Energy: 1.2406463552564135
Energy: 1.1633721707706288
Energy: 1.2406463552564135
Energy: 1.2005102325900658
Energy: 1.2406463552555655
Energy: 1.2493410581908595
Energy: 1.4576919905011287
Energy: 1.1651003962686635
Energy: 1.457691990501976
Energy: 1.249341058191707
Energy: 1.457691990501976
Energy: 1.251596258056364
Energy: 1.419414220025203
Energy: 1.1998792688098876
Energy: 1.419414220025203
Energy: 1.251596258056364
Energy: 1.419414220025203
Energy: 1.2009431230368164
Energy: 1.4576664781602393
Energy: 1.2051660914743025
Energy: 1.4576664781602393
Energy: 1.200943123037664
Energy: 1.457666478159392

minimum gb energy = 1.159147684461985 eV
minimum distance =  2.27333879655167 Angstroms
sigma value = 33


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

Energy: 1.3212395813471751
Energy: 1.2261401362691542
Energy: 1.0083893063695106
Energy: 1.2261401362673696
Energy: 1.32123958134777
Energy: 1.2261401362673696
Energy: 0.9681287345061369
Energy: 1.0749844058320521
Energy: 0.9836230248298017
Energy: 1.0749844058308624
Energy: 0.9681287345061369
Energy: 1.0749844058308624
Energy: 1.337711783904343
Energy: 1.2342168187896785
Energy: 1.0071251998617
Energy: 1.234216818791463
Energy: 1.3377117839055328
Energy: 1.234216818791463
Energy: 0.9757647379872832
Energy: 1.0086945507629457
Energy: 0.9837692755581761
Energy: 1.0086945507623508
Energy: 0.9757647380098871
Energy: 1.0086945507623508
Energy: 0.9614396753520961
Energy: 1.2057014615259904
Energy: -0.370773064498128
Energy: 1.2057014615224217
Energy: 0.9614396753509064
Energy: 1.2057014615230164
Energy: 0.9852605273854665
Energy: 1.0099858324395807
Energy: 0.9838326898360793
Energy: 1.0099858324395807
Energy: 0.9852605273830872
Energy: 1.0099858324383908
Energy: 0.9708817389960795
Energy: 1.2018943775591866
Energy: 0.9849979574932634
Energy: 1.2018943775591866
Energy: 0.97088173899489
Energy: 1.2018943775591866
Energy: 0.9973214382662234
Energy: 0.9855438966998759
Energy: 0.9669028877533088
Energy: 0.9855438967016604
Energy: 0.9973214382697922
Energy: 0.9855438967022553
Energy: 0.9677182611969493
Energy: 1.2053986929443545
Energy: -0.3652944151233045
Energy: 1.2053986929437595
Energy: 0.9677182611981389
Energy: 1.2053986929437595
Energy: 1.011692694018967
Energy: 1.2081658811913687
Energy: 1.3154439519517718
Energy: 1.2081658811883946
Energy: 1.0116926940201567
Energy: 1.2081658811883946
Energy: 0.9848886885516756
Energy: 1.201758244843081
Energy: 1.3120082419124282
Energy: 1.2017582448412965
Energy: 0.9848886885516756
Energy: 1.2017582448412965
Energy: 1.0187311994379615
Energy: 1.2338084945318608
Energy: 1.32067724992809
Energy: 1.2338084945324554
Energy: 1.018731199434987
Energy: 1.2338084945324554
Energy: 0.9871710099692861
Energy: 1.2051310147409184
Energy: 0.258000462730737
Energy: 1.2051310147427028
Energy: 0.9871710099692861
Energy: 1.205131014742108
Energy: 1.1855314984790686
Energy: 1.2382538992701728
Energy: 1.562199008432311
Energy: 1.238253899268983
Energy: 1.1855314984784737
Energy: 1.238253899268983
Energy: 1.0140255089514265
Energy: 1.2015143638904862
Energy: 0.9506391662996576
Energy: 1.201514363891081
Energy: 1.0140255089538055
Energy: 1.201514363891081
Energy: 1.1536957499086817
Energy: 1.2305073404556648
Energy: 1.3200259805175225
Energy: 1.2305073404562599
Energy: 1.1536957499098714
Energy: 1.2305073404562599
Energy: 0.9869021262010091
Energy: 1.204832247643923
Energy: 0.2707459120650041
Energy: 1.2048322476463023
Energy: 0.9869021262004143
Energy: 1.2048322476463023
Energy: 0.9842722902115267
Energy: 1.2377563294628242
Energy: 1.3158756933763287
Energy: 1.2377563294616347
Energy: 0.9842722902115267
Energy: 1.23775632946104
Energy: 1.0123551528789116
Energy: 1.1885772862990704
Energy: 1.3124390356004085
Energy: 1.1885772863020445
Energy: 1.012355152881291
Energy: 1.1885772863014499
Energy: 0.9677593404933632
Energy: 1.2306087567589215
Energy: 0.9679711690419673
Energy: 1.2306087567595163
Energy: 0.9677593404939581
Energy: 1.2306087567595163
Energy: 1.0039237846022584
Energy: 1.1825458302417025
Energy: 0.16289405087138636
Energy: 1.1825458302422973
Energy: 1.0039237846088016
Energy: 1.1825458302422973
Energy: 0.9686038305280434
Energy: 1.2378702437970934
Energy: 0.983967740521484
Energy: 1.237870243800068
Energy: 0.9686038305274486
Energy: 1.2378702437994729
Energy: 0.9849812148953785
Energy: 1.1673488652454518
Energy: 0.984393804715874
Energy: 1.1673488652466415
Energy: 0.9849812148977578
Energy: 1.1673488652466415
Energy: 0.9603353918924231
Energy: 1.2307524748230416
Energy: 0.9850308917910272
Energy: 1.2307524748254208
Energy: 0.9603353918918284
Energy: 1.2307524748254208
Energy: 0.9673182289254308
Energy: 1.182119587104437
Energy: -0.10659363478433319
Energy: 1.182119587105032
Energy: 0.9673182289289997
Energy: 1.182119587105032
Energy: 1.306652442717329
Energy: 1.2378657780934819
Energy: 1.0174844568436185
Energy: 1.2378657780911024
Energy: 1.3066524427167339
Energy: 1.2378657780916975
Energy: 0.9705547195589349
Energy: 1.0057758359807385
Energy: 0.9843357201278787
Energy: 1.0057758359837128
Energy: 0.9705547195630988
Energy: 1.0057758359843076
Energy: 1.307976080055016
Energy: 1.2306929353294365
Energy: 1.0088216106619
Energy: 1.2306929353294365
Energy: 1.307976080052042
Energy: 1.2306929353288416
Energy: 0.966712624651165
Energy: 1.1807826826209327
Energy: -0.10658630750657284
Energy: 1.1807826826209327
Energy: 0.9667126246523547
Energy: 1.180782682620338
Energy: 1.3071466967138208
Energy: 1.2379419748163598
Energy: 0.9984326523242315
Energy: 1.2379419748187392
Energy: 1.3071466967108467
Energy: 1.2379419748187392
Energy: 0.9964450516304514
Energy: 1.007837571363199
Energy: 0.9841586454649924
Energy: 1.0078375713643886
Energy: 0.9964450516322357
Energy: 1.0078375713643886
Energy: 0.9600907445024338
Energy: 1.2105109680986472
Energy: 1.0069323593662478
Energy: 1.210510968099242
Energy: 0.9600907445024338
Energy: 1.210510968099242
Energy: 1.1512389209983211
Energy: 1.1837132769261938
Energy: 0.9671092523065247
Energy: 1.1837132769267888
Energy: 1.1512389209995109
Energy: 1.1837132769267888
Energy: 0.9686780862479027
Energy: 1.2022858436230628
Energy: 1.0122714580317078
Energy: 1.2022858436242523
Energy: 0.968678086247308
Energy: 1.2022858436242523
Energy: 1.0122209844326635
Energy: 1.2022712897784826
Energy: 0.9687450445018185
Energy: 1.2022712897755083
Energy: 1.0122209844332581
Energy: 1.2022712897755083
Energy: 0.9671608454953357
Energy: 1.1837164722019096
Energy: 1.1511298689844147
Energy: 1.1837164722007198
Energy: 0.9671608454947408
Energy: 1.1837164722007198
Energy: 1.0063130302878
Energy: 1.21051147897421
Energy: 0.9596698932639741
Energy: 1.21051147897421
Energy: 1.0063130302878
Energy: 1.21051147897421
Energy: 0.984162381250989
Energy: 1.0079695937261992
Energy: 0.9964191308359331
Energy: 1.007969593727389
Energy: 0.984162381250989
Energy: 1.0079695937267943
Energy: 0.9984326523105502
Energy: 1.2379327278152896
Energy: 1.3066168209157751
Energy: 1.2379327278158845
Energy: 0.9984326523117398
Energy: 1.2379327278152896
Energy: 1.155545732297171
Energy: 1.1808672975416596
Energy: 0.9667468290402017
Energy: 1.1808672975422545
Energy: 1.155545732296576
Energy: 1.1808672975416596
Energy: 1.0135222769036103
Energy: 1.2306781698369913
Energy: 1.3078492394341017
Energy: 1.2306781698352067
Energy: 1.0135222769048
Energy: 1.2306781698352067
Energy: 0.9843185133871621
Energy: 1.0055691664289446
Energy: 0.9701434648886261
Energy: 1.0055691664277548
Energy: 0.9843185133853776
Energy: 1.0055691664277548
Energy: 1.0174587256009258
Energy: 1.2379162960767376
Energy: 1.3069837573533336
Energy: 1.237916296076143
Energy: 1.0174587256021153
Energy: 1.237916296075548
Energy: 1.1558513644381931
Energy: 1.181868468417738
Energy: 0.9677127153076551
Energy: 1.181868468421902
Energy: 1.1558513644370036
Energy: 1.181868468421902
Energy: 0.9851789003277127
Energy: 1.2304901949325793
Energy: 0.9603445804060503
Energy: 1.2304901949331741
Energy: 0.9851789003277127
Energy: 1.2304901949331741
Energy: 0.9843911367134506
Energy: 1.1673488652424777
Energy: 0.9851034222303581
Energy: 1.1673488652400983
Energy: 0.9843911367134506
Energy: 1.1673488652395034
Energy: 0.9840724090510057
Energy: 1.2378753751830873
Energy: 0.968638930660144
Energy: 1.2378753751818978
Energy: 0.9840724090504109
Energy: 1.2378753751818978

minimum gb energy = -0.370773064498128 eV
minimum distance =  2.28279035940837 Angstroms
sigma value = 67


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

Energy: 0.2185002573522311
Energy: 0.2185662083011699
Energy: -0.419097371549169
Energy: 0.2185662083011699
Energy: 0.2185002573522311
Energy: 0.2185662083011699
Energy: 0.21659669220658642
Energy: -0.423747626742922
Energy: 0.25300905176952565
Energy: -0.42374762674450317
Energy: 0.21659669220500527
Energy: -0.42374762674369
Energy: 0.21850025735182452
Energy: 0.2185662083015765
Energy: -0.41909736794382124
Energy: 0.2185662083015765
Energy: 0.21850025735182452
Energy: 0.2185662083015765
Energy: 0.21659669220500527
Energy: -0.42374762674170224
Energy: 0.2529856765101343
Energy: -0.42374762674369
Energy: 0.21659669220541186
Energy: -0.423747626742922
Energy: 0.21850025735182452
Energy: 0.2185662083011699
Energy: -0.4190973731430176
Energy: 0.2185662083015765
Energy: 0.2185002573522311
Energy: 0.2185662083011699
Energy: 0.21659669220579583
Energy: -0.42374762674210886
Energy: 0.2529890065099032
Energy: -0.4237476267440966
Energy: 0.21659669220541186
Energy: -0.42374762674369
Energy: 0.21850025735182452
Energy: 0.21856620830196047
Energy: -0.41909737314938733
Energy: 0.2185662083011699
Energy: 0.21850025735144055
Energy: 0.2185662083015765

minimum gb energy = -0.42374762674450317 eV
minimum distance =  2.42726735142682 Angstroms
sigma value = 3


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

Energy: 0.9840335674065741
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Energy: 0.9568490206025113
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Energy: 0.9496232777753923
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Energy: 0.8497696424171245
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Energy: 0.8497696424187475
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Energy: 1.152248404216091
Energy: 1.2291994972469245
Energy: 0.9533251628685498
Energy: 1.2291994972474651
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Energy: 0.948084724156167
Energy: 1.1599811179160204
Energy: 0.948084724158872
Energy: 0.8521788030723018
Energy: 0.9480847241583309
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Energy: 1.2482333943902377
Energy: 1.2385897083189605
Energy: 1.2482333943956476
Energy: 0.8576695648622038
Energy: 1.2482333943956476
Energy: 0.852542328320583
Energy: 0.9446779714929056
Energy: 1.0665745741312371
Energy: 0.9446779714837087
Energy: 0.852542328319501
Energy: 0.9446779714837087
Energy: 0.9508764158971557
Energy: 1.2291218821068446
Energy: 1.151875960432204
Energy: 1.2291218821133363
Energy: 0.9508764159014836
Energy: 1.2291218821122545
Energy: 0.8493442468507448
Energy: 0.9398097676666941
Energy: 1.1596534530133034
Energy: 0.9398097676693989
Energy: 0.8493442468491219
Energy: 0.9398097676693989
Energy: 0.9506235433489993
Energy: 1.2154769681801427
Energy: 0.9582031717293964
Energy: 1.2154769681844706
Energy: 0.9506235433484584
Energy: 1.2154769681839297
Energy: 0.9506279759045894
Energy: 1.1706245261612658
Energy: 0.9545642250269809
Energy: 1.1706245261623478
Energy: 0.9506279759062124
Energy: 1.170624526163971
Energy: 1.1225376537963248
Energy: 1.2008171624849522
Energy: 0.9480388812069837
Energy: 1.2008171624838706
Energy: 1.122537653780685
Energy: 1.2008171624838706

minimum gb energy = 0.8492323022861715 eV
minimum distance =  2.29407641849597 Angstroms
sigma value = 81


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

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Energy: 1.512444257174713
Energy: 1.4305006165036342
Energy: 1.5124442571717431
Energy: 1.1408553935354795
Energy: 1.5124442571717431
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Energy: 1.4462395491247608
Energy: 1.1127743822334852
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Energy: 1.1072069031158185
Energy: 1.4462395491217908
Energy: 1.1085644731491013
Energy: 1.450331344938208
Energy: 1.114628599600183
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Energy: 1.1085644731491013
Energy: 1.450331344938208
Energy: 1.110654993641546
Energy: 1.4182398732032737
Energy: 1.1091672716288523
Energy: 1.4182398732047587
Energy: 1.1106549936422887
Energy: 1.4182398732040162
Energy: 1.1111115503664633
Energy: 1.488200607663678
Energy: 1.1260946107387755
Energy: 1.4882006076644207
Energy: 1.1111115503634934
Energy: 1.4882006076644207
Energy: 1.115468786403571
Energy: 1.3314052256496305
Energy: 1.1063854061121239
Energy: 1.3314052256481457
Energy: 1.1154687864043136
Energy: 1.3314052256481457
Energy: 1.1157731402543525
Energy: 1.4637333778997734
Energy: 1.1234673176207928
Energy: 1.4637333778982884
Energy: 1.1157731402558375
Energy: 1.463733377899031
Energy: 0.9683321848356906
Energy: 1.4074357317488735
Energy: 1.1147012771977391
Energy: 1.4074357317503587
Energy: 0.9683321848356906
Energy: 1.4074357317503587
Energy: 0.9749959795791946
Energy: 1.4871184384381313
Energy: 0.9728386461769853
Energy: 1.487118438440359
Energy: 0.9749959795784521
Energy: 1.487118438440359
Energy: 0.9740079829718625
Energy: 1.0973762430185114
Energy: 0.9641915766058111
Energy: 1.0973762430155414
Energy: 0.9740079829718625
Energy: 1.097376243016284
Energy: 0.6551007830457045
Energy: 1.4640432300458586
Energy: 1.1240172202946743
Energy: 1.4640432300458586
Energy: 0.6551007830434771
Energy: 1.4640432300458586
Energy: 0.9647666893463984
Energy: 1.201725422882042
Energy: 1.1134303676691937
Energy: 1.201725422882042
Energy: 0.9647666893456559
Energy: 1.201725422882042
Energy: 1.1107521512645617
Energy: 1.4280815011026933
Energy: 1.1260313591872202
Energy: 1.428081501104921
Energy: 1.1107521512638194
Energy: 1.428081501104921
Energy: 1.156450383980415
Energy: 1.4188515028668889
Energy: 1.1059680354937862
Energy: 1.4188515028668889
Energy: 1.1564503839819003
Energy: 1.4188515028668889

minimum gb energy = 0.6551007830434771 eV
minimum distance =  2.25781453433171 Angstroms
sigma value = 43


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

Energy: 1.048922022641831
Energy: 1.655367485769582
Energy: 1.606787952480888
Energy: 1.65536748576867
Energy: 1.048922022642743
Energy: 1.65536748576867
Energy: 1.0486622361416649
Energy: 1.1504350979688764
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Energy: 1.0486622361416649
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Energy: 1.0366215325570651
Energy: 1.6083140688808206
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Energy: 1.0547032206274416
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Energy: 1.0782931497074693
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Energy: 1.0545852300218759
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Energy: 1.042582172623927
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Energy: 1.6024022862412708
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Energy: 1.0759878274673629
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Energy: 1.6455528379963822
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Energy: 1.6455528379963822
Energy: 1.0403442551923692
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Energy: 1.0751070448215536
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Energy: 1.6445985446950586
Energy: 1.05577919602268
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Energy: 1.5890483550123686
Energy: 1.0772968449355151
Energy: 1.5890483550132806
Energy: 1.0402720221870916
Energy: 1.5890483550132806
Energy: 1.0434382949498517
Energy: 1.0423920588208662
Energy: 1.0400310729732738
Energy: 1.0423920588208662
Energy: 1.0434382949498517
Energy: 1.0423920588208662
Energy: 1.0457070113925049
Energy: 1.6043328195540458
Energy: 1.078639841565514
Energy: 1.6043328195540458
Energy: 1.045707011393417
Energy: 1.6043328195540458
Energy: 1.0421773801829841
Energy: 1.6459544709704754
Energy: 1.0764389336892255
Energy: 1.6459544709695635
Energy: 1.042177380182072
Energy: 1.6459544709695635
Energy: 1.0420730755777399
Energy: 1.6436968326739727
Energy: 1.0767027319694098
Energy: 1.6436968326730608
Energy: 1.0420730755777399
Energy: 1.6436968326730608
Energy: 1.0452258455982113
Energy: 1.6185391595119387
Energy: 1.0409566615593708
Energy: 1.6185391595119387
Energy: 1.0452258455991232
Energy: 1.6185391595119387
Energy: 1.042945410841006
Energy: 1.7180486067544254
Energy: 1.0401340543458146
Energy: 1.7180486067535137
Energy: 1.0429454108419176
Energy: 1.7180486067535137
Energy: 1.0405388378945915
Energy: 1.59033663197974
Energy: 1.076780862385392
Energy: 1.59033663197974
Energy: 1.0405388378955038
Energy: 1.59033663197974
Energy: 1.0402641774373154
Energy: 1.6446541228152416
Energy: 1.0394195431424365
Energy: 1.6446541228161538
Energy: 1.0402641774373154
Energy: 1.6446541228161538
Energy: 1.0760775097249162
Energy: 1.6164256973008357
Energy: 1.0418428542013052
Energy: 1.6164256973017477
Energy: 1.0760775097249162
Energy: 1.6164256973008357
Energy: 1.0771394182922638
Energy: 1.7180640365001585
Energy: 1.0368616828263997
Energy: 1.7180640365001585
Energy: 1.0771394182922638
Energy: 1.7180640365001585
Energy: 1.0399442233152665
Energy: 1.612708858156637
Energy: 1.042177914791889
Energy: 1.612708858156637
Energy: 1.0399442233152665
Energy: 1.612708858156637
Energy: 1.0777109566631622
Energy: 1.6440229496008048
Energy: 1.0408803911891193
Energy: 1.6440229496017167
Energy: 1.0777109566640741
Energy: 1.6440229496017167
Energy: 1.075963839782709
Energy: 1.636395841107112
Energy: 1.0405719248455858
Energy: 1.636395841107112
Energy: 1.0759638397836209
Energy: 1.636395841107112
Energy: 1.1516298656845971
Energy: 1.6021824195622227
Energy: 1.0365538659572084
Energy: 1.6021824195622227
Energy: 1.1516298656855095
Energy: 1.6021824195622227
Energy: 1.0399935186299265
Energy: 1.0421342348912104
Energy: 1.0422565756578082
Energy: 1.0421342348902984
Energy: 1.0399935186299265
Energy: 1.0421342348912104
Energy: 1.0785839812908886
Energy: 1.5884509984332396
Energy: 1.0544426486338128
Energy: 1.5884509984323274
Energy: 1.0785839812899762
Energy: 1.5884509984323274

minimum gb energy = 1.036240734004529 eV
minimum distance =  2.28071134435934 Angstroms
sigma value = 57


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

Energy: 1.2225747876498056
Energy: 1.9007886966083856
Energy: 1.8363011443520332
Energy: 1.9007886966095662
Energy: 1.2225747876509865
Energy: 1.9007886966095662
Energy: 1.1641555629494593
Energy: 1.2890743262095337
Energy: 1.1833058104062149
Energy: 1.2890743262083526
Energy: 1.1641555629506406
Energy: 1.2890743262083526
Energy: 1.1818658747464756
Energy: 1.86597167125056
Energy: 1.1867997023616463
Energy: 1.8659716712493792
Energy: 1.1818658747464756
Energy: 1.8659716712493792
Energy: 1.1784598896215215
Energy: 1.1842206587840582
Energy: 1.1837766025623717
Energy: 1.184220658785239
Energy: 1.1784598896215215
Energy: 1.184220658785239
Energy: 1.1834633069080118
Energy: 1.1841532579531142
Energy: 1.1914606446310856
Energy: 1.1841532579519334
Energy: 1.1834633069068305
Energy: 1.1841532579519334
Energy: 1.19105213152351
Energy: 1.8573805061865025
Energy: 1.1832032040132923
Energy: 1.8573805061853215
Energy: 1.191052131522329
Energy: 1.8573805061853215
Energy: 1.1863251347642105
Energy: 1.5567439370756313
Energy: 1.165802754951862
Energy: 1.5567439370756313
Energy: 1.1863251347642105
Energy: 1.5567439370756313
Energy: 1.1892007058156926
Energy: 1.893658751595967
Energy: 1.222815267948005
Energy: 1.893658751597148
Energy: 1.1892007058156926
Energy: 1.893658751597148
Energy: 1.1838471133659483
Energy: 1.2886996833061917
Energy: 1.1906116444516819
Energy: 1.2886996833061917
Energy: 1.1838471133659483
Energy: 1.2886996833073725
Energy: 1.1886706075051594
Energy: 1.857378305009299
Energy: 1.1830304607441426
Energy: 1.8573783050104797
Energy: 1.1886706075051594
Energy: 1.8573783050104797
Energy: 1.1865862156321403
Energy: 1.1846253623578011
Energy: 1.1883972475480569
Energy: 1.1846253623578011
Energy: 1.1865862156321403
Energy: 1.184625362358982
Energy: 1.1651059225357643
Energy: 1.168452084152038
Energy: 1.1630670194214308
Energy: 1.1684520841532189
Energy: 1.1651059225345834
Energy: 1.1684520841532189
Energy: 1.1838024965457785
Energy: 1.8569024933212805
Energy: 1.2904941341475473
Energy: 1.8569024933224614
Energy: 1.1838024965457785
Energy: 1.8569024933224614
Energy: 1.1672290100971827
Energy: 1.5540954086307144
Energy: 1.18682880340761
Energy: 1.5540954086307144
Energy: 1.1672290100960019
Energy: 1.5540954086307144
Energy: 1.165668926976119
Energy: 1.894182578081717
Energy: 1.1874892212328094
Energy: 1.894182578081717
Energy: 1.1656689269749378
Energy: 1.894182578081717
Energy: 1.165216481980072
Energy: 1.8873583194815478
Energy: 1.163143752643167
Energy: 1.8873583194815478
Energy: 1.16521648197771
Energy: 1.8873583194815478
Energy: 1.1632466811500513
Energy: 1.1680359889140381
Energy: 1.1872592044335954
Energy: 1.1680359889140381
Energy: 1.1632466811500513
Energy: 1.1680359889140381
Energy: 1.1870662682699598
Energy: 1.2275536014512483
Energy: 1.1870558380254705
Energy: 1.2275536014500674
Energy: 1.187066268268779
Energy: 1.9320315876581322
Energy: 1.1872568699669623
Energy: 1.167688366712493
Energy: 1.1632501822078776
Energy: 1.1676883667101314
Energy: 1.1872568699669623
Energy: 1.1676883667113123
Energy: 1.163176138101184
Energy: 1.887278892586152
Energy: 1.165242556310605
Energy: 1.8872788925873327
Energy: 1.1631761381035457
Energy: 1.8872788925896944
Energy: 1.1874891448807634
Energy: 1.8940488436913605
Energy: 1.1656137620116236
Energy: 1.8940488436913605
Energy: 1.1874891448807634
Energy: 1.8940488436913605
Energy: 1.1865790103835485
Energy: 1.5881603389910492
Energy: 1.1670841325394294
Energy: 1.5881603389910492
Energy: 1.1865790103835485
Energy: 1.554119107636223
Energy: 1.2265526983204087
Energy: 1.8568960899622748
Energy: 1.1838503653190775
Energy: 1.8568960899622748
Energy: 1.2265526983204087
Energy: 1.8568960899622748
Energy: 1.162556235277439
Energy: 1.1685497065751915
Energy: 1.1650098573168293
Energy: 1.1685497065751915
Energy: 1.1625562352680188
Energy: 1.1685497065763724

minimum gb energy = 1.1625562352680188 eV
minimum distance =  2.32081772613111 Angstroms
sigma value = 17


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

Energy: 1.3996366579325374
Energy: 1.3860854708985964
Energy: 2.2026286501693697
Energy: 1.3860854708969264
Energy: 1.3996366579325374
Energy: 1.3860854708969264
Energy: 1.3316805998470638
Energy: 1.3341925569651398
Energy: 1.3369772454136708
Energy: 1.3341925569651398
Energy: 1.3316805998487338
Energy: 1.3341925569651398
Energy: 1.3373282758894
Energy: 1.3340848286225533
Energy: 1.3376939095465954
Energy: 1.3340848286225533
Energy: 1.3373282758894
Energy: 1.3340848286225533
Energy: 1.3453899154584783
Energy: 1.3340317306618539
Energy: 1.3369860660545314
Energy: 1.3340317306601837
Energy: 1.3453899154584783
Energy: 1.3340317306601837
Energy: 1.3370082677969621
Energy: 1.3344765319105518
Energy: 1.340927373070427
Energy: 1.334476531912222
Energy: 1.3370082677969621
Energy: 1.334476531912222
Energy: 1.3436124388363562
Energy: 1.3863529667813363
Energy: 1.4008884734970508
Energy: 1.3863529667813363
Energy: 1.3436124388346862
Energy: 1.3863529667813363
Energy: 1.337105413554942
Energy: 1.5144040492849598
Energy: 1.331904403515005
Energy: 1.5144040492832895
Energy: 1.3371054135532723
Energy: 1.5144040492832895
Energy: 1.3426384975798762
Energy: 1.3809427357353063
Energy: 1.3373761369825532
Energy: 1.3809427357353063
Energy: 1.342638497581546
Energy: 1.3809427357336364
Energy: 1.3371883940617018
Energy: 1.3344190663657904
Energy: 1.5148607247625059
Energy: 1.3344190663657904
Energy: 1.3371883940617018
Energy: 1.3344190663657904
Energy: 1.3817620063707687
Energy: 1.3315653157875218
Energy: 1.3374058965519116
Energy: 1.3315653157875218
Energy: 1.3817620063707687
Energy: 1.3315653157875218
Energy: 1.382653033848739
Energy: 1.8317296245413928
Energy: 1.3413697324395732
Energy: 1.8317296245413928
Energy: 1.382653033847069
Energy: 1.8317296245413928
Energy: 1.341024435240265
Energy: 1.3362825838616645
Energy: 1.3377810522061073
Energy: 1.3362825838616645
Energy: 1.341024435240265
Energy: 1.3362825838633348
Energy: 1.3376955135870663
Energy: 1.5133213241107002
Energy: 1.3405902427590244
Energy: 1.5133213241107002
Energy: 1.3376955135870663
Energy: 1.5133213241107002
Energy: 1.340384283999681
Energy: 1.3348786351843853
Energy: 1.3380031561364067
Energy: 1.3348786351843853
Energy: 1.340384283999681
Energy: 1.3348786351843853
Energy: 1.3381007123948363
Energy: 1.8333213149860244
Energy: 1.3833687972336979
Energy: 1.8333213149860244
Energy: 1.3381007123948363
Energy: 1.8333213149860244
Energy: 1.3394693211350752
Energy: 1.8323012839732753
Energy: 1.3833464902407875
Energy: 1.832301283971605
Energy: 1.3394693211350752
Energy: 1.832301283971605
Energy: 1.3388355102638323
Energy: 1.3354676775735128
Energy: 1.3392946967629467
Energy: 1.3354676775735128
Energy: 1.3388355102638323
Energy: 1.3354676775735128

minimum gb energy = 1.3315653157875218 eV
minimum distance =  2.30238067794539 Angstroms
sigma value = 17


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

Energy: 2.1658331807106777
Energy: 1.3041960787191476
Energy: 2.1171988526838392
Energy: 1.3041960787197926
Energy: 2.165833180709388
Energy: 1.3041960787204374
Energy: 1.731569599557165
Energy: 1.2752433509362469
Energy: 1.2773502387890985
Energy: 1.2752433509368917
Energy: 1.7315695995584548
Energy: 1.2752433509362469
Energy: 1.3075046953480303
Energy: 1.4612971216092436
Energy: 1.3747407427541194
Energy: 1.4612971216092436
Energy: 1.3075046953486749
Energy: 1.4612971216098884
Energy: 1.2790585567238475
Energy: 1.2765256867607881
Energy: 1.4954332524781626
Energy: 1.2765256867633676
Energy: 1.2790585567238475
Energy: 1.2765256867633676
Energy: 1.2778526748506034
Energy: 1.3031661967458028
Energy: 1.7993535852450695
Energy: 1.3031661967464476
Energy: 1.2778526748499583
Energy: 1.3031661967464476
Energy: 1.471263725491481
Energy: 1.3044537266426217
Energy: 1.5420026562404046
Energy: 1.3044537266426217
Energy: 1.471263725491481
Energy: 1.304453726643882
Energy: 1.2779447202285312
Energy: 1.4625653232219507
Energy: 1.6606707595299643
Energy: 1.4625653232206608
Energy: 1.2779447202291758
Energy: 1.4625653232193712
Energy: 1.4733000442246038
Energy: 1.276823688849981
Energy: 1.277661031640958
Energy: 1.2768236888486912
Energy: 1.4733000442342774
Energy: 1.2768236888486912
Energy: 1.5446580292413197
Energy: 1.3045410594525866
Energy: 1.2782191692723468
Energy: 1.3045410594545215
Energy: 1.544658029243254
Energy: 1.3045410594532316
Energy: 1.7740425396660404
Energy: 1.303441490614479
Energy: 1.2784678458430614
Energy: 1.3034414906170586
Energy: 1.774042539667975
Energy: 1.3798282402861233
Energy: 1.4898592701968811
Energy: 1.399066755583378
Energy: 1.4702180206060596
Energy: 1.399066755972081
Energy: 1.489859270197526
Energy: 1.3990667580413236
Energy: 1.2775683927428365
Energy: 1.2759502608991533
Energy: 1.3101504437790088
Energy: 1.2759502608997983
Energy: 1.2775683927415469
Energy: 1.2759502608997983
Energy: 1.2792626475999826
Energy: 1.2875430762754787
Energy: 1.5278660209720534
Energy: 1.2875430762761237
Energy: 1.2792626476006277
Energy: 1.2875430762761237
Energy: 1.2776489110381994
Energy: 1.4939753800131799
Energy: 1.6929727320373449
Energy: 1.493975380219462
Energy: 1.2776489110388443
Energy: 1.493975381290828
Energy: 1.2729601628178264
Energy: 1.9668522703929492
Energy: 1.468858125419105
Energy: 1.966852270394239
Energy: 1.2729601628178264
Energy: 1.9668522703935942
Energy: 1.4973965995205527
Energy: 1.2774279419430983
Energy: 1.3112515526392536
Energy: 1.2774279419430983
Energy: 1.4973965995205527
Energy: 1.4686276580180226
Energy: 1.4941478747339885
Energy: 1.6438067367395193
Energy: 1.2770852684545069
Energy: 1.6438067367401643
Energy: 1.4941478747339885
Energy: 1.6438067367401643
Energy: 1.8787626227283774
Energy: 1.4649387605481854
Energy: 1.27673875679804
Energy: 1.4649387605507649
Energy: 1.8787626227296672
Energy: 1.46493876055012
Energy: 1.729332676799036
Energy: 1.3052991467664428
Energy: 1.279798680574858
Energy: 1.3052991467664428
Energy: 1.7293326768067747
Energy: 1.3052991467677326
Energy: 1.2797439942896132
Energy: 1.7504654341126775
Energy: 1.2797420736141183
Energy: 1.7504654341113877
Energy: 1.2797439942896132
Energy: 1.7504654341113877
Energy: 1.2797913397900487
Energy: 1.3051147710231341
Energy: 1.636387185211795
Energy: 1.3051147710231341
Energy: 1.2797913397913385
Energy: 1.3051147710231341
Energy: 1.2767457316523652
Energy: 1.4650045422187523
Energy: 1.879919184209186
Energy: 1.4650045422219768
Energy: 1.2767457316523652
Energy: 1.4650045422200422
Energy: 1.274425384650744
Energy: 1.6438220392967096
Energy: 1.4941328267877563
Energy: 1.6438220392960647
Energy: 1.2744253846488092
Energy: 1.6438220392960647
Energy: 1.3113690591390346
Energy: 1.384035568458409
Energy: 1.4973349403908933
Energy: 1.3840355684577639
Energy: 1.3113690591390346
Energy: 1.3840355684577639
Energy: 1.468843766410507
Energy: 1.9671246634198696
Energy: 1.276507951475104
Energy: 1.9671246634198696
Energy: 1.4688437664111518
Energy: 1.9671246634192248
Energy: 1.693073031899538
Energy: 1.4928234070656758
Energy: 1.2776545599646574
Energy: 1.4928234070663207
Energy: 1.693073031899538
Energy: 1.4928234070669657
Energy: 1.5285634029633475
Energy: 1.2873345338297906
Energy: 1.2792943109906092
Energy: 1.2873345338297906
Energy: 1.5285634029787956
Energy: 1.2873345338304356
Energy: 1.3101845674138166
Energy: 1.2759823089258777
Energy: 1.277591143412916
Energy: 1.2759823089265223
Energy: 1.3101845674144614
Energy: 1.2759823089265223
Energy: 1.47022329553073
Energy: 1.678002152609395
Energy: 1.4897640799212257
Energy: 1.6780021526087499
Energy: 1.4702232955313748
Energy: 1.678002152608105
Energy: 1.278465813451599
Energy: 1.3824262440553294
Energy: 1.7740087013054637
Energy: 1.3824262440553294
Energy: 1.278465813451599
Energy: 1.3824262440553294
Energy: 1.2782128195962275
Energy: 1.3044978763499782
Energy: 1.5445777795271525
Energy: 1.3044978763512678
Energy: 1.2782128195968725
Energy: 1.3044978763493333
Energy: 1.2776660902741606
Energy: 1.276922568456994
Energy: 1.4728742722305574
Energy: 1.276922568456994
Energy: 1.2776660902741606
Energy: 1.2769225684576389
Energy: 1.660665073047908
Energy: 1.4625821431457853
Energy: 1.2779415640313012
Energy: 1.4625821431457853
Energy: 1.6606650730459733
Energy: 1.4625821431457853
Energy: 1.5419671379166675
Energy: 1.3042327723841618
Energy: 1.471487582069149
Energy: 1.3042327723848066
Energy: 1.5419671379147328
Energy: 1.3042327723854514
Energy: 1.7313643573414887
Energy: 1.3031661967470927
Energy: 1.2778555843115695
Energy: 1.3031661967477375
Energy: 1.7313643573421338
Energy: 1.3031661967477375
Energy: 1.4864013214265988
Energy: 1.276582544176618
Energy: 1.279068779238068
Energy: 1.2765825441791976
Energy: 1.4864013214246639
Energy: 1.2765825441779077
Energy: 1.375988049810843
Energy: 1.4613172660781628
Energy: 1.3075113406394336
Energy: 1.4613172660781628
Energy: 1.3759880498089083
Energy: 1.4613172660788079
Energy: 1.277347556595564
Energy: 1.2752476472920315
Energy: 1.7313794958826936
Energy: 1.2752476472926766
Energy: 1.277347556595564
Energy: 1.2752476472920315
Energy: 1.2888575288712147
Energy: 1.3041960787217273
Energy: 2.165833180710033
Energy: 1.3041960787210825
Energy: 1.2888575288679904
Energy: 1.3041960787217273
Energy: 1.2773502387884537
Energy: 1.275243350934957
Energy: 1.731569599555875
Energy: 1.275243350935602
Energy: 1.2773502387884537
Energy: 1.275243350934957
Energy: 1.3747407427534746
Energy: 1.4612971216105335
Energy: 1.3075046953480303
Energy: 1.4612971216105335
Energy: 1.3747407427534746
Energy: 1.4612971216098884
Energy: 1.4954332524781626
Energy: 1.2765256867627226
Energy: 1.2790585567244925
Energy: 1.276525686761433
Energy: 1.4954332524781626
Energy: 1.276525686761433
Energy: 1.7993535852463591
Energy: 1.3031661967483825
Energy: 1.2778526748480235
Energy: 1.3031661967477375
Energy: 1.7993535852444245
Energy: 1.3031661967477375

minimum gb energy = 1.2729601628178264 eV
minimum distance =  2.31351538826505 Angstroms
sigma value = 57


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

Energy: 1.866135753903927
Energy: 1.287992574628061
Energy: -0.03104079767808827
Energy: 1.287992574627011
Energy: 1.866135753903927
Energy: 1.287992574627011
Energy: 1.4929710640005958
Energy: 1.2555699151078061
Energy: 1.2631863621543602
Energy: 1.2555699151109563
Energy: 1.4929710639995457
Energy: 1.2555699151109563
Energy: 1.288898572759003
Energy: 1.4184953555976458
Energy: 1.2479258455659377
Energy: 1.4184953556007962
Energy: 1.288898572757953
Energy: 1.4184953556007962
Energy: 1.420659797150747
Energy: 1.449474853552895
Energy: 1.772469224371216
Energy: 1.4494748535570954
Energy: 1.4206597971486472
Energy: 1.4494748535570954
Energy: 1.1676754928908986
Energy: 1.286825750372147
Energy: 1.5008457445645635
Energy: 1.2868257503752971
Energy: 1.1676754928866986
Energy: 1.2868257503752971
Energy: 1.4368105506017157
Energy: 1.4503389108865017
Energy: 1.77301987917636
Energy: 1.4503389108844016
Energy: 1.4368105506006654
Energy: 1.4503389108844016
Energy: 1.2878434336606404
Energy: 1.4185030432058043
Energy: 1.2508791682347118
Energy: 1.4185030432068542
Energy: 1.2878434336595905
Energy: 1.4185030432068542
Energy: 1.162781124026357
Energy: 1.426505063083928
Energy: 1.255863260548826
Energy: 1.4265050630849778
Energy: 1.1627811240253068
Energy: 1.4265050630849778
Energy: 1.592797979859109
Energy: 1.1659548435052114
Energy: 1.2506412806205334
Energy: 1.165954843512562
Energy: 1.5927979798601588
Energy: 1.165954843512562
Energy: 1.5709015701680238
Energy: 1.2517618734224127
Energy: 1.2560261657561989
Energy: 1.2517618734171625
Energy: 1.5709015701669735
Energy: 1.2517618734171625
Energy: 1.2874706339889355
Energy: 1.1666469569029396
Energy: 1.7662671395857084
Energy: 1.1666469568987394
Energy: 1.2874706339889355
Energy: 1.1666469568987394
Energy: 1.2889843617712906
Energy: 1.449646740790684
Energy: 1.7698406189645108
Energy: 1.4496467407885838
Energy: 1.2889843617712906
Energy: 1.4496467407885838
Energy: 1.167484180940173
Energy: 1.4178498632374401
Energy: 1.7648006828165812
Energy: 1.4178498632363903
Energy: 1.167484180940173
Energy: 1.41784986323534
Energy: 1.7352051684547183
Energy: 1.2482225234134945
Energy: 1.7699515954150122
Energy: 1.2482225234124442
Energy: 1.7352051684547183
Energy: 1.2482225234113944
Energy: 1.2870651404664375
Energy: 1.418486371032474
Energy: 1.252521397302147
Energy: 1.4184863710335238
Energy: 1.2870651404664375
Energy: 1.4184863710366742
Energy: 1.6641109866877024
Energy: 1.3258377203969016
Energy: 1.2545658172956784
Energy: 1.3258377203979517
Energy: 1.6641109866866524
Energy: 1.3258377203979517
Energy: 1.8505298129036092
Energy: 1.7540472368750386
Energy: 1.2524972811246637
Energy: 1.7540472368771387
Energy: 1.8505298129046592
Energy: 1.7540472368760884
Energy: 0.03619734754345136
Energy: 1.7421286235262228
Energy: 1.254747693308521
Energy: 1.7421286235251727
Energy: 0.03619717278981589
Energy: 1.7421286235251727
Energy: 1.2872174461227528
Energy: 1.1661501323121286
Energy: 1.765584697514703
Energy: 1.1661501323100285
Energy: 1.2872174461196024
Energy: 1.1661501323100285
Energy: 1.4195018831575663
Energy: 1.4178346909669388
Energy: 1.7668401136464331
Energy: 1.4178346909658885
Energy: 1.4195018831575663
Energy: 1.4178346909658885
Energy: 1.1698446661049482
Energy: 1.4193325617907337
Energy: 1.7654561595383311
Energy: 1.4193325617886337
Energy: 1.1698446661059982
Energy: 1.4193325617886337
Energy: 1.2881526525277815
Energy: 1.1648424847177903
Energy: 1.7669240022838741
Energy: 1.1648424847209407
Energy: 1.2881526525277815
Energy: 1.1648424847198904
Energy: 1.286758781373027
Energy: 1.7250459467714008
Energy: 1.2546233917399352
Energy: 1.7250459467703507
Energy: 1.286758781374077
Energy: 1.725045946769301
Energy: 1.572357828853666
Energy: 1.6306603952554724
Energy: 1.2533383705488703
Energy: 1.6306603952586225
Energy: 1.5723578288547158
Energy: 1.6306603952586225
Energy: 1.5732566312153324
Energy: 1.405721194530101
Energy: 1.2542276692536785
Energy: 1.4057211945259005
Energy: 1.5732566312153324
Energy: 1.4057211945269508
Energy: 1.2892484000688509
Energy: 1.722202954993557
Energy: 1.2536094134847193
Energy: 1.722202954993557
Energy: 1.2892484000688509
Energy: 1.722202954994607
Energy: 1.286871677151387
Energy: 1.1635222404505423
Energy: 1.767649552652006
Energy: 1.1635222404526429
Energy: 1.286871677153487
Energy: 1.163522240453693

minimum gb energy = -0.03104079767808827 eV
minimum distance =  2.37585189813429 Angstroms
sigma value = 43


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

Energy: 1.711829409975201
Energy: 1.4306217013072327
Energy: 2.335447360395022
Energy: 1.4306217013079976
Energy: 1.7118294099744358
Energy: 1.4306217013072327
Energy: 1.401342668289427
Energy: 1.360786005041578
Energy: 1.3732354166329621
Energy: 1.3607860050408132
Energy: 1.4013426682917223
Energy: 1.3607860050408132
Energy: 1.3728901661918265
Energy: 1.5445331497925845
Energy: 1.4127316368262064
Energy: 1.5445331497933497
Energy: 1.3728901661918265
Energy: 1.5445331497933497
Energy: 1.4591916521238146
Energy: 1.3719685577365714
Energy: 1.625121422605406
Energy: 1.3719685577365714
Energy: 1.4591916521245796
Energy: 1.3719685577365714
Energy: 1.373921323676818
Energy: 1.4012427832427292
Energy: 1.4721554193802442
Energy: 1.4012427832427292
Energy: 1.373921323676818
Energy: 1.4012427832427292
Energy: 1.5593705450969415
Energy: 1.5543113740760675
Energy: 1.4339158246413857
Energy: 1.5543113740753023
Energy: 1.559370545105357
Energy: 1.5543113740753023
Energy: 1.4344481919020136
Energy: 1.553924972756871
Energy: 1.3633660048574798
Energy: 1.5539249727561057
Energy: 1.4344481919012486
Energy: 1.553924972756871
Energy: 1.5234636872784395
Energy: 1.4012386976967877
Energy: 1.3741208375711444
Energy: 1.4012386976952576
Energy: 1.5234636872792044
Energy: 1.4012386976952576
Energy: 1.6156226495551986
Energy: 1.371967299191638
Energy: 1.549408119526647
Energy: 1.371967299189343
Energy: 1.6156226495559638
Energy: 1.371967299189343
Energy: 1.705768642710004
Energy: 1.544210457534406
Energy: 1.3749449224626191
Energy: 1.5442104575351712
Energy: 1.705768642709239
Energy: 1.5442104575351712
Energy: 1.374733490697478
Energy: 1.4527683511627765
Energy: 1.525736718559802
Energy: 1.4527683511620113
Energy: 1.374733490697478
Energy: 1.4527683511627765
Energy: 1.3629466106811619
Energy: 1.4308508073959467
Energy: 1.716127790287734
Energy: 1.430850807397477
Energy: 1.3629466106803967
Energy: 1.430850807397477
Energy: 1.373902341679799
Energy: 1.36069352637241
Energy: 1.54895278185663
Energy: 1.3606935263739404
Energy: 1.373902341679799
Energy: 1.3606935263739404
Energy: 1.6211288453758728
Energy: 1.3717220897590081
Energy: 1.3755921458457623
Energy: 1.371722089757478
Energy: 1.6211288453758728
Energy: 1.371722089757478
Energy: 1.6179813017791755
Energy: 1.3723032225697727
Energy: 1.3627116329865636
Energy: 1.3723032225690073
Energy: 1.6179813017799407
Energy: 1.3723032225690073
Energy: 1.5595888499102022
Energy: 1.5443453219884424
Energy: 1.3745565459257119
Energy: 1.5443453219884424
Energy: 1.5595888499109671
Energy: 1.5443453219876773
Energy: 1.4348565913739801
Energy: 1.4306798980994282
Energy: 1.5588334235653099
Energy: 1.4306798981001934
Energy: 1.4348565913732152
Energy: 1.4306798981024886
Energy: 1.3622886841372501
Energy: 1.5564777140315098
Energy: 1.4353081605495164
Energy: 1.5564777140315098
Energy: 1.362288684138015
Energy: 1.5564777140315098
Energy: 1.3636343320172195
Energy: 1.3616064732831705
Energy: 1.6200532499133053
Energy: 1.3616064732824054
Energy: 1.3636343320187494
Energy: 1.3616064732824054
Energy: 1.3737963614600714
Energy: 1.5340573575270031
Energy: 1.6190181656761247
Energy: 1.5340573575323584
Energy: 1.3737963614600714
Energy: 1.534057357523943
Energy: 1.3757664625339645
Energy: 1.5473991929250626
Energy: 1.3621917093941192
Energy: 1.5473991929250626
Energy: 1.3757664625324344
Energy: 1.5473991929250626
Energy: 1.6176097951811748
Energy: 1.3954956085402874
Energy: 1.3758472022303265
Energy: 1.3954956085387573
Energy: 1.6176097951827049
Energy: 1.3954956085395225
Energy: 1.5044376611797179
Energy: 1.3733589065719698
Energy: 1.3618214935771842
Energy: 1.3733589065719698
Energy: 1.5044376611200763
Energy: 1.3733589065712046
Energy: 1.3738122179105545
Energy: 1.8622160447256182
Energy: 1.3621354665866066
Energy: 1.8622160447263834
Energy: 1.37381221791132
Energy: 1.862216044727148
Energy: 1.373019647152488
Energy: 1.5337426880897993
Energy: 1.6184996198019568
Energy: 1.5337426880882692
Energy: 1.373019647151723
Energy: 1.5337426880813836
Energy: 1.3617765855548856
Energy: 1.372782847546185
Energy: 1.6196158090383084
Energy: 1.3727828475454202
Energy: 1.3617765855548856
Energy: 1.3727828475500106
Energy: 1.3620032027913476
Energy: 1.5451422629702039
Energy: 1.557479668326481
Energy: 1.5451422629694387
Energy: 1.3620032027913476
Energy: 1.5451422629694387
Energy: 1.5576243269669217
Energy: 2.186407256863883
Energy: 1.5574327693137173
Energy: 2.1864072568646487
Energy: 1.5576243269669217
Energy: 2.186407256863883
Energy: 1.557315882207074
Energy: 1.545327599356745
Energy: 1.3614072292290835
Energy: 1.545327599356745
Energy: 1.557315882206309
Energy: 1.5453275993559799
Energy: 1.619662038041232
Energy: 1.3729638956135102
Energy: 1.3617757205737109
Energy: 1.372963895612745
Energy: 1.619662038041997
Energy: 1.37296389561198
Energy: 1.6184031433637682
Energy: 1.5337587711963703
Energy: 1.376867017844766
Energy: 1.533758771194075
Energy: 1.618403143363003
Energy: 1.5337587711894844
Energy: 1.364212570134105
Energy: 1.8623371950090644
Energy: 1.3735951566234943
Energy: 1.8623371950090644
Energy: 1.364212570134105
Energy: 1.8623371950082992
Energy: 1.3618088665861514
Energy: 1.3733534334417985
Energy: 1.616880222107965
Energy: 1.3733534334402686
Energy: 1.3618088665861514
Energy: 1.3733534334402686
Energy: 1.3758464168792903
Energy: 1.3953718490393898
Energy: 1.6180026673087577
Energy: 1.3953718490393898
Energy: 1.3758464168808204
Energy: 1.3953718490393898
Energy: 1.36219522902978
Energy: 1.5474167837313333
Energy: 1.3757725701662908
Energy: 1.5474167837305681
Energy: 1.3621952290305452
Energy: 1.5474167837305681
Energy: 1.6190008792595507
Energy: 1.5337779753963623
Energy: 1.3737845475328099
Energy: 1.5337779753971272
Energy: 1.6190008792595507
Energy: 1.5337779753955971

minimum gb energy = 1.36069352637241 eV
minimum distance =  2.3195219734074 Angstroms
sigma value = 81


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

Energy: 1.4883989812016822
Energy: 1.4892202265185817
Energy: 3.0677714075042544
Energy: 1.489220226518294
Energy: 1.4883989812016822
Energy: 1.489220226518294
Energy: 1.4906898199241192
Energy: 1.488855563743415
Energy: 1.488971262217273
Energy: 1.4888555637448204
Energy: 1.4906898199255247
Energy: 1.4888555637442775
Energy: 1.488950888925116
Energy: 1.488851973423629
Energy: 1.4887756799230234
Energy: 1.4888519734239167
Energy: 1.488950888925116
Energy: 1.488851973424204
Energy: 3.0677714075037117
Energy: 1.4892202265180385
Energy: 1.48839898120197
Energy: 1.4892202265180385
Energy: 3.067771407503424
Energy: 1.4892202265177512
Energy: 1.488971262218423
Energy: 1.4888555637431276
Energy: 1.4906898199263554
Energy: 1.488855563743415
Energy: 1.4889712622175606
Energy: 1.4888555637431276
Energy: 1.4887756780643218
Energy: 1.4888519734239167
Energy: 1.4889508889254037
Energy: 1.488851973423054
Energy: 1.488775676978317
Energy: 1.4888519734227987
Energy: 1.4883989812014267
Energy: 1.4892202265174637
Energy: 3.067771407503999
Energy: 1.4892202265180385
Energy: 1.4883989812016822
Energy: 1.4892202265171761
Energy: 1.4906898199271859
Energy: 1.4888555637442775
Energy: 1.4889712622175606
Energy: 1.4888555637439902
Energy: 1.4906898199235443
Energy: 1.4888555637439902
Energy: 1.4889508889254037
Energy: 1.4888519734239167
Energy: 1.4887756771786707
Energy: 1.488851973423629
Energy: 1.488950888925116
Energy: 1.488851973423629
Energy: 3.0677714075037117
Energy: 1.489220226518294
Energy: 1.48839898120197
Energy: 1.4892202265177512
Energy: 3.067771407503424
Energy: 1.4892202265177512

minimum gb energy = 1.4883989812014267 eV
minimum distance =  2.29619598241781 Angstroms
sigma value = 3


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

Energy: 1.7199386821685254
Energy: 0.876641896071748
Energy: 2.1858859025130744
Energy: 0.8766383920214682
Energy: 1.7199386397215068
Energy: 0.876641504750486
Energy: 1.2154958745964028
Energy: 1.4328302844559433
Energy: 1.3750651460099363
Energy: 1.4328302844576257
Energy: 1.2154958129493842
Energy: 1.4328302844576257
Energy: 1.346532642590591
Energy: 1.3240891351224793
Energy: 1.5040943354072234
Energy: 1.3240891351241617
Energy: 1.346532642590591
Energy: 1.3240891351241617
Energy: 1.1122371869985372
Energy: 0.7420371637567553
Energy: 1.4840198726368494
Energy: 0.742038227933974
Energy: 1.1122371871414694
Energy: 0.7420371964111905
Energy: 0.8987557252792626
Energy: 1.4256288822778054
Energy: 1.3388026549583674
Energy: 1.4256288822778054
Energy: 0.898755725280104
Energy: 1.4256288822778054
Energy: 0.911888973191902
Energy: 0.8657338298715671
Energy: 1.337704020654511
Energy: 0.8657338298682021
Energy: 0.9118889732978581
Energy: 0.865733829863996
Energy: 0.8597746842137008
Energy: 1.236225270567181
Energy: 1.0640103918533623
Energy: 1.2362252705713872
Energy: 0.8597746842019237
Energy: 1.2362252705739107
Energy: 0.7378001881458239
Energy: 1.647931192856677
Energy: 1.4778446832821925
Energy: 1.6479311928583593
Energy: 0.7378001881206254
Energy: 1.6479311928592006
Energy: 1.3424362139762385
Energy: 1.0878317440708707
Energy: 1.6728989620493204
Energy: 1.087831744076721
Energy: 1.3424362139779211
Energy: 1.0878317440750385
Energy: 1.3096348355119365
Energy: 1.2561045485763827
Energy: 1.3002322120458363
Energy: 1.2561045485763827
Energy: 1.3096348355110954
Energy: 1.2561045485755413
Energy: 1.0410569787960484
Energy: 0.6026403923507807
Energy: 1.4351080419209106
Energy: 0.6026403924348649
Energy: 1.0410569787211796
Energy: 0.6026403923718112
Energy: 0.660754227104583
Energy: 1.253108828152165
Energy: 1.3139051300389457
Energy: 1.2531088281614187
Energy: 0.6607542460010158
Energy: 1.253108828159736
Energy: 1.10629655052368
Energy: 1.5066713814456134
Energy: 1.2007963793700969
Energy: 1.5066713814447723
Energy: 1.10629655052368
Energy: 1.5066713814447723
Energy: 1.3226959556480913
Energy: 1.3974089279819786
Energy: 1.4774177012184573
Energy: 1.397408927979455
Energy: 1.3226959556480913
Energy: 1.3974089279819786
Energy: 0.9328570761501859
Energy: 1.4194752235661072
Energy: 1.4786408159721391
Energy: 1.4194752235677897
Energy: 0.9328570761501859
Energy: 1.4194752235677897
Energy: 0.9311999704434462
Energy: 1.2684770823827927
Energy: 1.3360116080059046
Energy: 1.2684770823827927
Energy: 0.9311999704392401
Energy: 1.2684770823827927
Energy: 0.9315473535645589
Energy: 1.2704385051601828
Energy: 1.3533422964561723
Energy: 1.2704385051610239
Energy: 0.9315473535645589
Energy: 1.2704385051610239
Energy: 0.930232122898217
Energy: 0.5569295347768419
Energy: 1.478609398168606
Energy: 0.5569295347827304
Energy: 0.930232122898217
Energy: 0.5569295347810479
Energy: 1.3109063631080744
Energy: 0.7376882569032236
Energy: 1.4776150653806976
Energy: 0.7376882569040648
Energy: 1.3109063631089157
Energy: 0.7376882569015412
Energy: 1.3441327551838271
Energy: 1.436562323055108
Energy: 1.3055966425928018
Energy: 1.4365623230534255
Energy: 1.3441327551846685
Energy: 1.4365623230534255
Energy: 0.6847978234512445
Energy: 1.3728620100340874
Energy: 1.1971932895191995
Energy: 1.3728620100366111
Energy: 0.6722247726861154
Energy: 1.3728620100374522
Energy: 0.6742523577886356
Energy: 1.3779521433847892
Energy: 1.4357336851088278
Energy: 1.3779521433822655
Energy: 0.628503157686192
Energy: 1.377952143387313
Energy: 1.313870895091838
Energy: 1.429583162716424
Energy: 1.2043035115427347
Energy: 1.4295831627139002
Energy: 1.313870895091838
Energy: 1.4295831627181064
Energy: 1.3266430850689763
Energy: 1.3209680937107182
Energy: 1.6728760754409502
Energy: 1.320968093709877
Energy: 1.326643085068135
Energy: 1.320968093709877
Energy: 0.7381761347072859
Energy: 0.5624905347310719
Energy: 1.471316475499098
Energy: 0.5624905347378018
Energy: 0.738176134711492
Energy: 0.562490534735278
Energy: 0.8582438735048514
Energy: 0.9114147033082225
Energy: 0.8966339721971107
Energy: 0.9114147030820478
Energy: 0.8582438735056926
Energy: 0.911414703340189
Energy: 0.908610868936879
Energy: 1.271840911065788
Energy: 1.3348702625532434
Energy: 1.2718409110666293
Energy: 0.908610868936879
Energy: 1.2718409110666293
Energy: 0.8938960937283628
Energy: 0.6077793621475468
Energy: 1.3377560858307085
Energy: 0.6077793621475468
Energy: 0.8938960937224741
Energy: 0.607779362148388
Energy: 0.5974297434316659
Energy: 0.8911528818040163
Energy: 1.4806765462854048
Energy: 0.8911528818006516
Energy: 0.5974297434341896
Energy: 0.8911528818090638
Energy: 1.3475831608656228
Energy: 1.116271421794889
Energy: 1.6677481308823912
Energy: 1.116271421794889
Energy: 1.3475831608656228
Energy: 1.116271421794889
Energy: 1.1464356212413387
Energy: 1.4349503771076917
Energy: 1.2167841730218043
Energy: 1.4349503771068506
Energy: 1.1464356213111602
Energy: 1.4349503771076917
Energy: 1.0276315194144587
Energy: 1.7267620546824638
Energy: 1.2754764438777602
Energy: 1.726762054683305
Energy: 1.0718891668043493
Energy: 1.726762054683305
Energy: 1.1145367762664744
Energy: 1.43857976565592
Energy: 0.5967308810751228
Energy: 1.4385797656533965
Energy: 1.1145367764951728
Energy: 1.4385797656533965

minimum gb energy = 0.5569295347768419 eV
minimum distance =  2.28046258606349 Angstroms
sigma value = 67


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

Energy: 1.2291336562373782
Energy: 2.037876483397961
Energy: 2.1129049402703637
Energy: 2.037876483397961
Energy: 1.2291336562385768
Energy: 2.037876483397961
Energy: 0.3420429056268859
Energy: 1.4215093026708694
Energy: 1.2223952227967672
Energy: 1.421509302668472
Energy: 0.3420146473143496
Energy: 1.4215093026696708
Energy: 1.187560556268704
Energy: 1.1734712797867943
Energy: 1.2286507585732098
Energy: 1.173471279787993
Energy: 1.187560556268704
Energy: 1.173471279787993
Energy: 1.4799268187074421
Energy: 1.8036724293804836
Energy: 1.444287008452115
Energy: 1.803672429379285
Energy: 1.479926818708641
Energy: 1.803672429379285
Energy: 1.4432926676177875
Energy: 2.0245271972967878
Energy: 1.43969532346021
Energy: 2.0245271972967878
Energy: 1.4432926676189861
Energy: 2.0245271972967878
Energy: 1.441835547358544
Energy: 1.1806059534105566
Energy: 1.2253325099142107
Energy: 1.1806059534093578
Energy: 1.4418355473597426
Energy: 1.1806059534093578
Energy: 1.4263290184907653
Energy: 1.179450130961847
Energy: 1.1930042639287446
Energy: 1.1794501309606484
Energy: 1.426329018491964
Energy: 1.1794501309594498
Energy: 1.4262135318135754
Energy: 1.8362267572365327
Energy: 2.2582787029949185
Energy: 1.8362267572377313
Energy: 1.4262135318135754
Energy: 1.8362267572377313
Energy: 1.426359709673221
Energy: 1.178895704038049
Energy: 2.2500514459028165
Energy: 1.1788957040368504
Energy: 1.4263597096756184
Energy: 1.1788957040368504
Energy: 1.4248410032899546
Energy: 1.1785794840602182
Energy: 1.1889032492879164
Energy: 1.1785794840614168
Energy: 1.424841003288756
Energy: 1.1785794840614168
Energy: 1.4433601670611051
Energy: 1.1819007280121543
Energy: 1.1906057842256865
Energy: 1.1819007280157503
Energy: 1.4433601670599066
Energy: 1.1819007280157503
Energy: 1.443950577571517
Energy: 1.2708110836374553
Energy: 1.4433866362777195
Energy: 1.2708110836386541
Energy: 1.443950577571517
Energy: 1.2708110836386541
Energy: 1.1906683600480306
Energy: 1.1804422598879603
Energy: 1.4427861174386183
Energy: 1.1804422598891589
Energy: 1.1906683600492292
Energy: 1.1804422598879603
Energy: 1.1892197240108118
Energy: 1.3571761014298227
Energy: 1.4246712307411415
Energy: 1.3571761014298227
Energy: 1.1892197240108118
Energy: 1.3571761014310215
Energy: 0.936383329016479
Energy: 1.4755605427388048
Energy: 1.4264883707928195
Energy: 1.4755605427340646
Energy: 0.9363833322777886
Energy: 1.4755605427340646
Energy: 1.9676493725112143
Energy: 1.4722123876508764
Energy: 1.4259545399272289
Energy: 1.4722123876532736
Energy: 1.967649372512413
Energy: 1.4722123876532736
Energy: 1.1930628678157478
Energy: 1.179347224011156
Energy: 1.1930527960721
Energy: 1.1793472240123548
Energy: 1.1930628678157478
Energy: 1.1793472240123548
Energy: 1.2238352917966115
Energy: 1.1816219498768414
Energy: 1.440861108620447
Energy: 1.1816219498768414
Energy: 1.2238352917978101
Energy: 1.1816219498768414
Energy: 1.439725871823372
Energy: 2.0001593132346014
Energy: 1.4432372462824847
Energy: 2.0001593132346014
Energy: 1.4397258718113854
Energy: 2.0001593132346014
Energy: 1.4429378308641114
Energy: 1.457294916383276
Energy: 1.1818925071544706
Energy: 1.4572949163856734
Energy: 1.4429378308665084
Energy: 1.4572949163844746
Energy: 1.44138108180456
Energy: 1.479084298831325
Energy: 1.2013697229891744
Energy: 1.4790842988337223
Energy: 1.4413810818069575
Energy: 1.4790842988337223
Energy: 1.2224965018356238
Energy: 1.4246938467354886
Energy: 1.2201049688680092
Energy: 1.4246938467366874
Energy: 1.2224965018356238
Energy: 1.4246938467366874
Energy: 1.685936545427475
Energy: 2.1995100685918527
Energy: 1.3330336028134524
Energy: 2.1995100685882565
Energy: 1.685936545427475
Energy: 2.199510068589455

minimum gb energy = 0.3420146473143496 eV
minimum distance =  2.25602443196164 Angstroms
sigma value = 33


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

Energy: 1.6871532042897193
Energy: 0.9452326543131229
Energy: 2.0154405960946264
Energy: 0.9452326543123626
Energy: 1.6871532042881987
Energy: 0.9452326543131229
Energy: 0.963793998349305
Energy: 1.7481678645065923
Energy: 0.960757123267495
Energy: 1.748167864505832
Energy: 0.9637939983523466
Energy: 1.748167864505832
Energy: 0.9611240390773435
Energy: 1.0321087947899357
Energy: 1.3453030171369051
Energy: 1.0321087947891752
Energy: 0.961124039076583
Energy: 1.0321087947884147
Energy: 1.04479993070441
Energy: 1.605550161068814
Energy: 0.9633894827852829
Energy: 1.605550161068814
Energy: 1.04479993070441
Energy: 1.6055501610695746
Energy: 1.6303773203417984
Energy: 0.9400802614812016
Energy: 1.603620521767159
Energy: 0.940080261481962
Energy: 1.6303773203433192
Energy: 0.9400802614812016
Energy: 1.6295878417597156
Energy: 0.9617380644594437
Energy: 0.9629414620552942
Energy: 0.961738064460204
Energy: 1.6295878417597156
Energy: 0.961738064460204
Energy: 0.9643858961985361
Energy: 0.9604495241487365
Energy: 0.9755887550393456
Energy: 0.960449524149497
Energy: 0.9643858961977758
Energy: 0.960449524149497
Energy: 0.9762192484987474
Energy: 0.935518131214838
Energy: 1.629700030405696
Energy: 0.9355181312163587
Energy: 0.9762192485002681
Energy: 0.9355181312178795
Energy: 1.6070346465279608
Energy: 1.3586721618794237
Energy: 1.6308746304007409
Energy: 1.3586721618794237
Energy: 1.6070346465256797
Energy: 1.3586721618794237
Energy: 0.9677510688088479
Energy: 1.1007596874067036
Energy: 0.9469852493798452
Energy: 1.1007596874044223
Energy: 0.9677510688096084
Energy: 1.3981750281835064
Energy: 0.9460240549050283
Energy: 0.9658357008054096
Energy: 0.9842382718920158
Energy: 0.9658357008038887
Energy: 0.9460240549035076
Energy: 0.9658357008038887
Energy: 0.963721073444849
Energy: 1.0211218626447043
Energy: 0.9641164234853111
Energy: 1.0211218626431835
Energy: 0.963721073444849
Energy: 1.0211218626447043
Energy: 1.6232050050784443
Energy: 0.9566091676157715
Energy: 1.6969610597272804
Energy: 0.956609167615011
Energy: 1.6232050050799653
Energy: 0.9566091676172922
Energy: 0.9615401010840082
Energy: 1.6276812903377662
Energy: 0.951796980574349
Energy: 1.6276812903400473
Energy: 0.9615401010832477
Energy: 1.6276812903392868
Energy: 1.6778133176861685
Energy: 1.0323123144193118
Energy: 0.9613266213763161
Energy: 1.0323123144193118
Energy: 1.677813317686929
Energy: 1.0323123144193118
Energy: 0.9629610144073534
Energy: 1.6041133692368148
Energy: 0.9433725022302198
Energy: 1.604113369235294
Energy: 0.9629610144065931
Energy: 1.6041133692368148
Energy: 0.9744446744315907
Energy: 0.9411945376551817
Energy: 1.6258477907276696
Energy: 0.9411945376475777
Energy: 0.9744446744080182
Energy: 0.9411945376468173
Energy: 0.9605374631737851
Energy: 0.9612696622790154
Energy: 0.9680863469839979
Energy: 0.9612696622790154
Energy: 0.9605374631737851
Energy: 0.9612696622790154
Energy: 1.280373965953474
Energy: 0.9612110592835301
Energy: 0.9607650467337073
Energy: 0.961211059285051
Energy: 1.2803739659542341
Energy: 0.961211059285051
Energy: 1.6319257611703695
Energy: 0.9357427192563994
Energy: 0.9719992018002963
Energy: 0.9357427192563994
Energy: 1.631925761169609
Energy: 0.935742719255639
Energy: 0.9438971298190575
Energy: 1.3308653201714564
Energy: 0.9648737449690239
Energy: 1.3308653201691754
Energy: 0.9438971298175367
Energy: 1.3308653201699356
Energy: 0.9631314556461218
Energy: 0.9615228870472975
Energy: 1.6059672160706406
Energy: 0.9615228870465371
Energy: 0.9631314556461218
Energy: 0.9615228870465371
Energy: 0.9725394989669969
Energy: 0.9607430304696949
Energy: 0.9636827499425724
Energy: 0.9607430304696949
Energy: 0.9725394989700384
Energy: 0.9607430304712157
Energy: 1.696255810382593
Energy: 1.0104976805714039
Energy: 0.9461628573726791
Energy: 1.0104976805721644
Energy: 1.696255810382593
Energy: 1.0104976805706434
Energy: 0.9645308586026087
Energy: 1.021336478989648
Energy: 0.9457594307146886
Energy: 1.0213364789904085
Energy: 0.9645308586124939
Energy: 1.021336478988888
Energy: 0.9750965044457887
Energy: 1.0206572902247824
Energy: 0.9457577622551792
Energy: 1.0206572902232618
Energy: 0.9750965044457887
Energy: 1.0206572902194595
Energy: 0.9456038972485897
Energy: 0.9613057407112626
Energy: 1.6072320045448887
Energy: 0.9613057407127835
Energy: 0.9456038972478292
Energy: 0.9613057407120231
Energy: 1.6301249294243667
Energy: 1.3305432837078395
Energy: 0.9666833043622882
Energy: 1.3305432837070792
Energy: 1.6301249294243667
Energy: 1.3305432837078395
Energy: 1.631386323805373
Energy: 0.9371254507731048
Energy: 0.9718010368007262
Energy: 0.937125450771584
Energy: 1.6313863238061332
Energy: 0.9371254507708237
Energy: 0.9716787283293974
Energy: 0.9610348465287603
Energy: 0.9621375448853398
Energy: 0.9610348465287603
Energy: 0.9716787283286369
Energy: 0.9610348465287603
Energy: 0.9615285005780806
Energy: 1.3850999140648081
Energy: 0.9429860530940923
Energy: 1.3850999140640479
Energy: 0.9615285005780806
Energy: 1.3850999140648081
Energy: 1.280569727733619
Energy: 0.9380713969799204
Energy: 1.631906628506859
Energy: 0.9380713969768788
Energy: 1.280569727733619
Energy: 0.9380713969776391
Energy: 0.9624291687873981
Energy: 1.6047800326491595
Energy: 0.9668068072688621
Energy: 1.6047800326499202
Energy: 0.9624291687873981
Energy: 1.6047800326499202
Energy: 0.9641392824375863
Energy: 1.0322634400667376
Energy: 0.9609202445498171
Energy: 1.0322634400674982
Energy: 0.964139282454315
Energy: 1.0322634400667376
Energy: 0.9606813186781863
Energy: 1.6263395609410143
Energy: 0.9524106405623816
Energy: 1.626339560942535
Energy: 0.9606813186797071
Energy: 1.6263395609417746
Energy: 1.6223507968901247
Energy: 0.9441007763097576
Energy: 1.698582161322485
Energy: 0.9441007763051952
Energy: 1.622350796890885
Energy: 0.9441007763089974
Energy: 0.9617934251188087
Energy: 1.3951518789037483
Energy: 0.9636410300523375
Energy: 1.3951518789045085
Energy: 0.9617934251188087
Energy: 1.3951518789045085

minimum gb energy = 0.935518131214838 eV
minimum distance =  2.25618387038888 Angstroms
sigma value = 41


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

Energy: 0.3222616700930191
Energy: 0.45969938408778566
Energy: 2.2029283785319445
Energy: 0.45969938408778566
Energy: 0.3222607903092775
Energy: 0.45969938408778566
Energy: 1.8239119357707088
Energy: 0.43465345607576533
Energy: 0.46041688205814774
Energy: 0.43465345607576533
Energy: 1.8239119357707088
Energy: 0.43465345607576533
Energy: 0.32574445283314735
Energy: 0.8748303430688824
Energy: 0.4637821158292054
Energy: 0.8748303430688824
Energy: 0.3257449072690635
Energy: 0.8748303430688824
Energy: 1.8212385852100375
Energy: 0.43414685705447964
Energy: 0.46161355108668367
Energy: 0.4341468570524035
Energy: 1.8211834695993931
Energy: 0.4341468570524035
Energy: 0.32311924524553043
Energy: 0.43498937669065135
Energy: 0.4621401472622048
Energy: 0.43498937669065135
Energy: 0.32311064516437427
Energy: 0.43498937669065135
Energy: 0.3232046227372321
Energy: 0.42663248024316186
Energy: 0.46199951880483353
Energy: 0.42663248024316186
Energy: 0.3232046226064835
Energy: 0.4266324802410857
Energy: 1.8215526052461246
Energy: 0.43365747108459834
Energy: 0.46273658426930897
Energy: 0.43365747108459834
Energy: 1.8214771939220773
Energy: 0.43365747108459834
Energy: 0.3129193177194713
Energy: 0.4330453346012795
Energy: 0.46167022025959514
Energy: 0.43304533460335565
Energy: 0.31291305216736887
Energy: 0.43304533460335565
Energy: 1.8209330851398695
Energy: 0.42454845552607867
Energy: 0.46067027519668774
Energy: 0.42454845552607867
Energy: 1.8209330851377936
Energy: 0.42454845552607867
Energy: 0.3214253882863346
Energy: 0.45992889797401826
Energy: 0.46317230012468175
Energy: 0.45992889796778985
Energy: 0.3224624933432749
Energy: 0.4599288979719421
Energy: 1.821326126232082
Energy: 0.43467140194309073
Energy: 0.5200420626435175
Energy: 0.4346714019451669
Energy: 1.821326126236234
Energy: 0.4346714019451669
Energy: 0.31836489548915364
Energy: 0.8749746122327214
Energy: 1.6028165235536556
Energy: 0.8749746122306453
Energy: 0.31838123409009395
Energy: 0.8749746122306453
Energy: 1.8213304474490932
Energy: 0.4347711865004136
Energy: 0.5199695887609417
Energy: 0.4347711865004136
Energy: 1.8213304474470173
Energy: 0.4347711865004136
Energy: 0.3214191836206513
Energy: 0.4599252872126557
Energy: 0.4634080092302841
Energy: 0.459925287218884
Energy: 0.3214422815740866
Energy: 0.4599252872147318

minimum gb energy = 0.31291305216736887 eV
minimum distance =  2.41148168017095 Angstroms
sigma value = 11


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

Energy: 1.3447517081148848
Energy: 1.3279091829698528
Energy: 1.8069287670595895
Energy: 1.3279091829698528
Energy: 1.344751708116709
Energy: 1.3279091829698528
Energy: 1.3286262065094225
Energy: 1.3558958998062207
Energy: 1.3179985349929284
Energy: 1.3558958998053083
Energy: 1.3286262065103347
Energy: 1.3558958998053083
Energy: 1.3282596365883823
Energy: 1.3581447716792026
Energy: 1.3219917962442453
Energy: 1.3581447716792026
Energy: 1.3282596365883823
Energy: 1.358144771680115
Energy: 1.3526274262196125
Energy: 1.3546388010876067
Energy: 1.3180204698135463
Energy: 1.3546388010866948
Energy: 1.3526274262205247
Energy: 1.3546388010866948
Energy: 1.3220954166620569
Energy: 1.3747418522374795
Energy: 1.3546360962003152
Energy: 1.3747418522338313
Energy: 1.322095416660233
Energy: 1.3747418522320072
Energy: 1.3604610600576592
Energy: 1.3733263810932725
Energy: 1.3269041035177362
Energy: 1.3733263810932725
Energy: 1.3604610600585711
Energy: 1.3733263810923604
Energy: 1.3551159897767915
Energy: 1.3742964043191341
Energy: 1.3416322196315091
Energy: 1.3742964043191341
Energy: 1.3551159897758795
Energy: 1.3742964043191341
Energy: 1.3276013727282003
Energy: 1.3586072267141693
Energy: 1.3212238677592274
Energy: 1.3586072267123452
Energy: 1.3276013727282003
Energy: 1.3586072267123452
Energy: 1.3281807032960677
Energy: 1.4430380388779596
Energy: 1.3168872286253372
Energy: 1.4430380388770474
Energy: 1.3281807032942436
Energy: 1.4430380388770474
Energy: 1.3254632983997114
Energy: 1.354362392782622
Energy: 1.3572183628173828
Energy: 1.354362392783534
Energy: 1.3254632984006236
Energy: 1.354362392783534
Energy: 1.344734614803988
Energy: 1.3204621382297208
Energy: 1.3479074360922785
Energy: 1.3204621382288089
Energy: 1.344734614803988
Energy: 1.3204621382288089
Energy: 1.3297955646410429
Energy: 1.3772209616588518
Energy: 1.3477313104652267
Energy: 1.3772209616579396
Energy: 1.329795564642867
Energy: 1.3772209616579396
Energy: 1.3208363196259456
Energy: 1.3552168196176202
Energy: 1.3570238005001634
Energy: 1.3552168196167078
Energy: 1.320836319626858
Energy: 1.3552168196167078
Energy: 1.35786820586166
Energy: 1.442431533644759
Energy: 1.3563345979788248
Energy: 1.442431533644759
Energy: 1.35786820586166
Energy: 1.442431533644759
Energy: 1.3184233509074104
Energy: 1.394300257347528
Energy: 1.3284826427694363
Energy: 1.39430025734844
Energy: 1.318423350908322
Energy: 1.394300257347528
Energy: 1.357112554213003
Energy: 1.3229459947122173
Energy: 1.3487865936287409
Energy: 1.3229459947103932
Energy: 1.3571125542120905
Energy: 1.3229459947122173
Energy: 1.3422391396532503
Energy: 1.3725262896387467
Energy: 1.3295127801184057
Energy: 1.3725262896387467
Energy: 1.3422391396541622
Energy: 1.3725262896387467
Energy: 1.3281940746778962
Energy: 1.3827014753086095
Energy: 1.3203226885164032
Energy: 1.3827014752995097
Energy: 1.328194074678808
Energy: 1.3827014753086095
Energy: 1.3555152497401939
Energy: 1.3543039656106735
Energy: 1.3570627367989252
Energy: 1.3543039656115856
Energy: 1.3555152497392815
Energy: 1.3543039656115856
Energy: 1.3185902518293666
Energy: 1.35550024300138
Energy: 1.3296540021020598
Energy: 1.35550024300138
Energy: 1.3185902518302788
Energy: 1.3555002430004683
Energy: 1.3521214853973649
Energy: 1.3770169367108096
Energy: 1.3289195557356535
Energy: 1.3770169367117215
Energy: 1.3521214853973649
Energy: 1.3770169367098977
Energy: 1.3443879495332476
Energy: 1.3234716437220455
Energy: 1.3561785153470722
Energy: 1.323471643730254
Energy: 1.3443879495323354
Energy: 1.323471643730254
Energy: 1.5105469872868182
Energy: 1.3544778386590013
Energy: 1.341688981999935
Energy: 1.3544778386580894
Energy: 1.5105469872877304
Energy: 1.3544778386580894
Energy: 1.3183814308934623
Energy: 1.4420129188728104
Energy: 1.3286699833392905
Energy: 1.4420129188728104
Energy: 1.3183814308934623
Energy: 1.4420129188718982
Energy: 1.326777464805626
Energy: 1.3586019714637958
Energy: 1.328394201953041
Energy: 1.3586019714637958
Energy: 1.326777464806538
Energy: 1.3586019714628836
Energy: 1.347422128085503
Energy: 1.374605614086992
Energy: 1.3525817187134483
Energy: 1.3746056140878833
Energy: 1.347422128085503
Energy: 1.3746056140915315
Energy: 1.3240714875511077
Energy: 1.373842683360689
Energy: 1.3236144645345391
Energy: 1.373842683359777
Energy: 1.3240714875501955
Energy: 1.373842683361601
Energy: 1.3539163567025794
Energy: 1.373553839938768
Energy: 1.355354963095354
Energy: 1.3735538399296476
Energy: 1.353916356703491
Energy: 1.373553839938768
Energy: 1.3226402145493057
Energy: 1.3544155161525129
Energy: 1.3553935096747538
Energy: 1.3544155161525129
Energy: 1.3226402145493057
Energy: 1.3544155161525129
Energy: 1.320397399491211
Energy: 1.3801027732630273
Energy: 1.3279290502956547
Energy: 1.3801027732612032
Energy: 1.3203973994902989
Energy: 1.3801027732612032
Energy: 1.3174009808851999
Energy: 1.3561760044822437
Energy: 1.3270441597283673
Energy: 1.3561760044822437
Energy: 1.3174009808833758
Energy: 1.3561760044822437

minimum gb energy = 1.3168872286253372 eV
minimum distance =  2.25252208170645 Angstroms
sigma value = 57


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

Energy: 1.711532094091501
Energy: 1.694705763908495
Energy: 1.3755994381189027
Energy: 1.694705763910118
Energy: 1.711532094091501
Energy: 1.694705763908495
Energy: 1.6619778629729571
Energy: 1.6496429548088514
Energy: 1.6492536214176479
Energy: 1.6496429548088514
Energy: 1.6619778629729571
Energy: 1.669824792937877
Energy: 1.7180946288708392
Energy: 1.702773705400837
Energy: 1.6488237685133975
Energy: 1.702773705400837
Energy: 1.7180946288708392
Energy: 1.702773705400837
Energy: 1.6496249581191484
Energy: 2.0921028083862225
Energy: 1.6496603478428007
Energy: 2.0921028083862225
Energy: 1.6496249581191484
Energy: 2.0921028083862225
Energy: 1.64883311544295
Energy: 1.7028368335190336
Energy: 1.718085144016778
Energy: 1.7028368335174107
Energy: 1.64883311544295
Energy: 1.7028368335174107
Energy: 1.6489357861802452
Energy: 1.649643002186963
Energy: 1.6619528511036974
Energy: 1.649643002186963
Energy: 1.6489357861818679
Energy: 1.6496430021885862
Energy: 1.762973306957642
Energy: 1.6947057639117409
Energy: 1.711532094091501
Energy: 1.694705763908495
Energy: 1.7629733069560192
Energy: 1.694705763914987
Energy: 1.6492536214176479
Energy: 1.6496429548072284
Energy: 1.6619778629713344
Energy: 1.6496429548088514
Energy: 1.6492536214176479
Energy: 1.6496429548104745
Energy: 1.6488237685133975
Energy: 1.7027737053975913
Energy: 1.7180946288708392
Energy: 1.7027737053975913
Energy: 1.6488237685133975
Energy: 1.7027737053975913
Energy: 1.6496603478428007
Energy: 1.7401589250317668
Energy: 1.6496249581207345
Energy: 2.0921028083862225
Energy: 1.6496603478428007
Energy: 1.7401589250317668
Energy: 1.718085144016778
Energy: 1.7028368335174107
Energy: 1.64883311544295
Energy: 1.7028368335190336
Energy: 1.718085144016778
Energy: 1.7028368335190336
Energy: 1.6619528511036974
Energy: 1.6496430021853403
Energy: 1.6489357861818679
Energy: 1.649643002186963
Energy: 1.6619528511020745
Energy: 1.6496430021885862
Energy: 1.711532094091501
Energy: 1.694705763910118
Energy: 1.762973306954396
Energy: 1.694705763908495
Energy: 1.711532094091501
Energy: 1.694705763908495
Energy: 1.6619778629729571
Energy: 1.6496429548072284
Energy: 1.6492536214176479
Energy: 1.6496429548072284
Energy: 1.6619778629745803
Energy: 1.6496429548072284
Energy: 1.7180946288708392
Energy: 1.7027737053992145
Energy: 1.6488237685133975
Energy: 1.7027737053959682
Energy: 1.7180946288708392
Energy: 1.7027737053975913
Energy: 1.6496249581207345
Energy: 1.7401589250317668
Energy: 1.6496603478428007
Energy: 1.7175859401808542
Energy: 1.6496249581191484
Energy: 2.0921028083862225
Energy: 1.64883311544295
Energy: 1.7028368335174107
Energy: 1.718085144016778
Energy: 1.7028368335190336
Energy: 1.64883311544295
Energy: 1.7028368335190336

minimum gb energy = 1.3755994381189027 eV
minimum distance =  2.25524309159428 Angstroms
sigma value = 9


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

Energy: 1.4919080653335848
Energy: 1.491414531399854
Energy: 1.789589438117292
Energy: 1.4914145313985288
Energy: 1.49190806533491
Energy: 1.4914145313985288
Energy: 1.4824127775161335
Energy: 1.5105913366977939
Energy: 1.6673135276335682
Energy: 1.5105913366977939
Energy: 1.4824127775148082
Energy: 1.5105913366977939
Energy: 1.6998205910490027
Energy: 1.6292782637654957
Energy: 1.6715763247224074
Energy: 1.6292782637668208
Energy: 1.6998205910490027
Energy: 1.6292782637668208
Energy: 1.6995535689132009
Energy: 1.7246505726826753
Energy: 1.494551317157072
Energy: 1.7246505726826753
Energy: 1.6995535689132009
Energy: 1.7246505726826753
Energy: 1.4843609622296612
Energy: 1.7984002010003217
Energy: 1.6662821287924403
Energy: 1.7984002009989966
Energy: 1.4843609622296612
Energy: 1.7984002009989966
Energy: 1.699776985246699
Energy: 1.700089423338738
Energy: 1.6682999245642787
Energy: 1.7000894233427135
Energy: 1.6997769852480242
Energy: 1.7000894233413884
Energy: 1.7011256171596616
Energy: 1.6329966861968013
Energy: 1.670466845266331
Energy: 1.6329966861968013
Energy: 1.7011256171596616
Energy: 1.6329966861968013
Energy: 1.4813611465761172
Energy: 1.5062544813551044
Energy: 1.662498796908449
Energy: 1.5062544813551044
Energy: 1.4813611465774423
Energy: 1.5062544813564296
Energy: 1.4814444074523547
Energy: 1.6093730219863616
Energy: 1.4933141540399442
Energy: 1.6093730219863616
Energy: 1.48144440745368
Energy: 1.6093730219863616
Energy: 1.6979424657698055
Energy: 1.4908917279784397
Energy: 1.6644780087088296
Energy: 1.4908917279744642
Energy: 1.6979424657698055
Energy: 1.4908917279757894
Energy: 1.7022153215913254
Energy: 1.7112273568564906
Energy: 1.5833739924964871
Energy: 1.7112273568525151
Energy: 1.7022153215913254
Energy: 1.7112273568525151
Energy: 1.6992836140866163
Energy: 1.70455531779162
Energy: 1.493305960204368
Energy: 1.7045553177876442
Energy: 1.6992836140866163
Energy: 1.7045553177889694
Energy: 1.7017487041087167
Energy: 1.6376692910656303
Energy: 1.5846200959328258
Energy: 1.6376692910669555
Energy: 1.7017487041087167
Energy: 1.6376692910682804
Energy: 1.6992235895148997
Energy: 1.7002431189912122
Energy: 1.4912746079609753
Energy: 1.7002431189925373
Energy: 1.6992235895135746
Energy: 1.7002431189925373
Energy: 1.6976830235926168
Energy: 1.4775263530792573
Energy: 1.6782394866772508
Energy: 1.4775263530805824
Energy: 1.6976830235926168
Energy: 1.4775263530805824
Energy: 1.4794520270514522
Energy: 1.604917149392802
Energy: 1.4936727872304578
Energy: 1.6049171493954524
Energy: 1.479452027050127
Energy: 1.6049171493941272
Energy: 1.4781982722913924
Energy: 1.6028738401352252
Energy: 1.4959957573118026
Energy: 1.60287384013125
Energy: 1.4781982722913924
Energy: 1.60287384013125
Energy: 1.5661262863664425
Energy: 1.6351685721507323
Energy: 1.6636979703261856
Energy: 1.6351685721507323
Energy: 1.5661262863598169
Energy: 1.6351685721507323
Energy: 1.7022799977688075
Energy: 1.702592078799311
Energy: 1.494109968924196
Energy: 1.7025920788006361
Energy: 1.7022799977701326
Energy: 1.702592078799311
Energy: 1.6995114383434893
Energy: 1.7994682555431134
Energy: 1.6796497032464526
Energy: 1.7994682555417885
Energy: 1.699511438340839
Energy: 1.799468255540463
Energy: 1.7023444211442529
Energy: 1.725166550760851
Energy: 1.4922178607852858
Energy: 1.725166550760851
Energy: 1.7023444211442529
Energy: 1.725166550760851

minimum gb energy = 1.4775263530792573 eV
minimum distance =  2.25974135782772 Angstroms
sigma value = 27


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

Energy: 1.678577092595953
Energy: 1.6526443130523605
Energy: 1.746587456590408
Energy: 1.6526443130523605
Energy: 1.678577092595953
Energy: 1.6526443130534774
Energy: 1.6218840278830349
Energy: 1.6120282648661068
Energy: 1.621656963887816
Energy: 1.6120282648661068
Energy: 1.6218840278830349
Energy: 1.6120282648661068
Energy: 1.6128963467632234
Energy: 1.6113823208079416
Energy: 1.621751079470552
Energy: 1.6113823208101756
Energy: 1.612896346762106
Energy: 1.6113823208101756
Energy: 1.6221515223079197
Energy: 1.9135396462290766
Energy: 1.599408007104133
Energy: 1.9135396462279597
Energy: 1.622151522310154
Energy: 1.9135396462279597
Energy: 1.6220556569676223
Energy: 1.967550769214023
Energy: 1.6217221719345873
Energy: 1.967550769214023
Energy: 1.6220556569676223
Energy: 1.967550769214023
Energy: 1.613582750160507
Energy: 1.60969216980292
Energy: 1.6100389578240841
Energy: 1.6096921698062712
Energy: 1.61358275015939
Energy: 1.6096921698062712
Energy: 1.6219980959756395
Energy: 1.7870019967053568
Energy: 1.6217679496591964
Energy: 1.7870019967064739
Energy: 1.6219980959745226
Energy: 1.7870019967064739
Energy: 1.6222192341600319
Energy: 1.6475196662695808
Energy: 1.6217860028520057
Energy: 1.6475196662695808
Energy: 1.6222192341600319
Energy: 1.6475196662695808
Energy: 1.622418116197055
Energy: 1.911634896836771
Energy: 1.6554117074458572
Energy: 1.911634896837888
Energy: 1.6224181161959381
Energy: 1.911634896836771
Energy: 1.6224867847568398
Energy: 1.624117589835338
Energy: 1.678162153675234
Energy: 1.624117589834221
Energy: 1.6224867847579567
Energy: 1.624117589834221
Energy: 1.6224814607836766
Energy: 1.624106112296724
Energy: 1.6778570015164525
Energy: 1.624106112296724
Energy: 1.6224814607847937
Energy: 1.624106112296724
Energy: 1.622415035306088
Energy: 1.9116551528200512
Energy: 1.6553620380211014
Energy: 1.9116551528189343
Energy: 1.622415035307205
Energy: 1.9116551528189343
Energy: 1.6220790316850542
Energy: 1.6489376620902216
Energy: 1.6218149073487849
Energy: 1.6489376620902216
Energy: 1.6220790316850542
Energy: 1.6489376620891047
Energy: 1.6219910873779875
Energy: 1.786874916361945
Energy: 1.6217339867379903
Energy: 1.786874916361945
Energy: 1.6219910873779875
Energy: 1.786874916361945
Energy: 1.6119944102486679
Energy: 1.6098089309737047
Energy: 1.6100764343698173
Energy: 1.6098089309725876
Energy: 1.611994410247551
Energy: 1.6098089309681196
Energy: 1.6220659060264229
Energy: 1.9675507692173744
Energy: 1.621706105255376
Energy: 1.9675507692195828
Energy: 1.6220659060264229
Energy: 1.9675507692195828
Energy: 1.6221163474402456
Energy: 1.9135316551099446
Energy: 1.607784689448098
Energy: 1.9135316551110615
Energy: 1.6221163474402456
Energy: 1.9135316551110615
Energy: 1.6129123969046208
Energy: 1.6113869126929352
Energy: 1.6217465429903992
Energy: 1.6113869126929352
Energy: 1.6129123969046208
Energy: 1.6113869126929352
Energy: 1.6219179048380905
Energy: 1.6120371686507946
Energy: 1.6217049735606808
Energy: 1.6120371686507946
Energy: 1.6219179048380905
Energy: 1.6120371686507946
Energy: 1.6785770925970698
Energy: 1.6526443130523605
Energy: 1.6713875880641718
Energy: 1.6526443130523605
Energy: 1.678577092595953
Energy: 1.6526443130523605
Energy: 1.6218840278830349
Energy: 1.6120282648661068
Energy: 1.621656963887816
Energy: 1.6120282648661068
Energy: 1.6218840278830349
Energy: 1.6120282648661068
Energy: 1.6128963467632234
Energy: 1.6113823208090587
Energy: 1.621751079470552
Energy: 1.6113823208101756
Energy: 1.612896346762106
Energy: 1.6113823208068248
Energy: 1.6221515223090368
Energy: 1.9135396462268426
Energy: 1.6557534431772476
Energy: 1.9135396462290766
Energy: 1.6221515223090368
Energy: 1.9135396462290766
Energy: 1.6220556569676223
Energy: 1.967550769214023
Energy: 1.6217221719345873
Energy: 1.9675507692151402
Energy: 1.6220556569676223
Energy: 1.9675507692151402
Energy: 1.613582750160507
Energy: 1.6096921698051543
Energy: 1.6100389578229672
Energy: 1.609692169800686
Energy: 1.61358275015939
Energy: 1.6096921698018032

minimum gb energy = 1.599408007104133 eV
minimum distance =  2.30996869023054 Angstroms
sigma value = 19


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

Energy: 1.573781533245793
Energy: 1.5310651839283371
Energy: 1.5841529709141156
Energy: 1.5310651839302656
Energy: 1.5737815332448288
Energy: 1.5310651839293012
Energy: 1.508458377305812
Energy: 1.4849823407480804
Energy: 1.514290565062995
Energy: 1.4849823407471163
Energy: 1.508458377305812
Energy: 1.4849823407471163
Energy: 1.5091534001318105
Energy: 1.5030555763931794
Energy: 1.5199882574370174
Energy: 1.503055576391251
Energy: 1.5091534001318105
Energy: 1.503055576391251
Energy: 1.508537310488027
Energy: 1.5033472899987534
Energy: 1.5019138526185987
Energy: 1.5033472899987534
Energy: 1.5085373104889914
Energy: 1.5033472899987534
Energy: 1.5132465470869496
Energy: 1.6581524650731603
Energy: 1.5008892828510967
Energy: 1.6581524650731603
Energy: 1.5132465470859853
Energy: 1.6581524650731603
Energy: 1.520109583962527
Energy: 1.6450639268220237
Energy: 1.5046582289855952
Energy: 1.6450639268210596
Energy: 1.5201095839615626
Energy: 1.6450639268210596
Energy: 1.489892594634813
Energy: 1.6446925919771977
Energy: 1.5026298850375344
Energy: 1.6446925919791262
Energy: 1.489892594634813
Energy: 1.6446925919791262
Energy: 1.4909687394635343
Energy: 1.6710617879737402
Energy: 1.504726563711079
Energy: 1.6710617879756684
Energy: 1.4909687394644984
Energy: 1.6710617879756684
Energy: 1.507484908921148
Energy: 1.5037469794332563
Energy: 1.5491780437182663
Energy: 1.5037469794351848
Energy: 1.507484908921148
Energy: 1.5037469794351848
Energy: 1.5146422830858672
Energy: 1.5534627205594382
Energy: 1.513912742769819
Energy: 1.5534627205584741
Energy: 1.514642283084903
Energy: 1.5534627205594382
Energy: 1.4940317819079463
Energy: 1.5010458917882015
Energy: 1.5240410671240308
Energy: 1.5010458917872371
Energy: 1.4940317819079463
Energy: 1.5010458917872371
Energy: 1.4588279090203058
Energy: 1.5332610760606495
Energy: 1.5151779250721709
Energy: 1.5332610760596854
Energy: 1.4588279090212701
Energy: 1.5332610760606495
Energy: 1.4409439615617379
Energy: 1.5344933067686997
Energy: 1.5145152230452708
Energy: 1.5344933067686997
Energy: 1.4409439615617379
Energy: 1.5344933067686997
Energy: 1.5082353235359998
Energy: 1.5067060775435985
Energy: 1.507852622977926
Energy: 1.5067060775426344
Energy: 1.5082353235359998
Energy: 1.5067060775426344
Energy: 1.5095824131276148
Energy: 1.5031892149587653
Energy: 1.5147784242264153
Energy: 1.5031892149597297
Energy: 1.5095824131276148
Energy: 1.5031892149597297
Energy: 1.5113851634136384
Energy: 1.5028240841402944
Energy: 1.4537123137737338
Energy: 1.5028240841393303
Energy: 1.5113851634146027
Energy: 1.502824084138366
Energy: 1.50882059741476
Energy: 1.6716055492313389
Energy: 1.4904192131642058
Energy: 1.6716055492303745
Energy: 1.5088205974157243
Energy: 1.6716055492303745
Energy: 1.4966977982124599
Energy: 1.6410690728352544
Energy: 1.4899003304785992
Energy: 1.6410690728352544
Energy: 1.4966977982124599
Energy: 1.6410690728352544
Energy: 1.508729161690629
Energy: 1.8017981745566811
Energy: 1.490192163184517
Energy: 1.8017981745566811
Energy: 1.508729161690629
Energy: 1.8017981745566811
Energy: 1.5114321964247717
Energy: 1.5259900089129044
Energy: 1.5327352456673489
Energy: 1.5259900089109761
Energy: 1.5114321964247717
Energy: 1.5259900089100118
Energy: 1.509658121974367
Energy: 1.5038279802767667
Energy: 1.5147559798269703
Energy: 1.5038279802767667
Energy: 1.5096581219734029
Energy: 1.5038279802767667
Energy: 1.5132644675957172
Energy: 1.5012426394858467
Energy: 1.5141035419802824
Energy: 1.501242639486811
Energy: 1.5132644675966815
Energy: 1.5012426394858467
Energy: 1.5033957708576864
Energy: 1.5629477620670957
Energy: 1.515085140958683
Energy: 1.5629477620661316
Energy: 1.5033957708576864
Energy: 1.5629477620661316
Energy: 1.510028135385586
Energy: 1.4909376668003071
Energy: 1.515372032437928
Energy: 1.4909376668003071
Energy: 1.5100281353826932
Energy: 1.4909376668003071
Energy: 1.509005543049828
Energy: 1.50110320166766
Energy: 1.523735280043187
Energy: 1.5011032016705526
Energy: 1.509005543049828
Energy: 1.5011032016695882
Energy: 1.5144336289489582
Energy: 1.6829260463220135
Energy: 1.5138279704715671
Energy: 1.6829260463210494
Energy: 1.514433628947994
Energy: 1.6829260463210494
Energy: 1.5073137377635908
Energy: 1.5034592398294777
Energy: 1.550538828056291
Energy: 1.5034592398285134
Energy: 1.5073137377635908
Energy: 1.5034592398285134
Energy: 1.4915320139511008
Energy: 1.67130828742259
Energy: 1.5046912562191566
Energy: 1.6713082874216258
Energy: 1.4915320139511008
Energy: 1.6713082874216258
Energy: 1.4897539585059314
Energy: 1.8472537980681893
Energy: 1.5027073880789545
Energy: 1.847253798069154
Energy: 1.489753958504967
Energy: 1.847253798069154

minimum gb energy = 1.4409439615617379 eV
minimum distance =  2.25014484186253 Angstroms
sigma value = 101


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

Energy: 1.4741880938991097
Energy: 1.497256263777014
Energy: 1.4615369511166385
Energy: 1.4972562637761664
Energy: 1.474188093898262
Energy: 1.497256263777014
Energy: 1.48114508925074
Energy: 1.4699449523205872
Energy: 1.4823599817176638
Energy: 1.4699449523197399
Energy: 1.4811450892498923
Energy: 1.4699449523205872
Energy: 1.4718803937534881
Energy: 1.4591916894625103
Energy: 1.4841871575292664
Energy: 1.459191689460815
Energy: 1.4718803937534881
Energy: 1.4591916894616628
Energy: 1.456410944825308
Energy: 1.4669462919609058
Energy: 1.462528377597448
Energy: 1.466946291960058
Energy: 1.456410944825308
Energy: 1.4500452400822355
Energy: 1.4768098123739746
Energy: 1.5016945640118127
Energy: 1.4719411792607067
Energy: 1.50169456401266
Energy: 1.4768098123739746
Energy: 1.5016945640118127
Energy: 1.4686780230256478
Energy: 1.7162491789112873
Energy: 1.4793913763855775
Energy: 1.7162491789121348
Energy: 1.4686780230256478
Energy: 1.7162491789112873
Energy: 1.4732288250673231
Energy: 1.7439045585743855
Energy: 1.4771543889357803
Energy: 1.7439045585760806
Energy: 1.4732288250673231
Energy: 1.743904558575233
Energy: 1.4633407461949168
Energy: 1.7518447141271585
Energy: 1.4672401619991664
Energy: 1.751844714126311
Energy: 1.4633407461949168
Energy: 1.751844714126311
Energy: 1.4782545024109572
Energy: 1.7179629616106398
Energy: 1.471969782651528
Energy: 1.7179629616089447
Energy: 1.4782545024109572
Energy: 1.7179629616089447
Energy: 1.467852641702068
Energy: 1.717466336765586
Energy: 1.480484439841002
Energy: 1.7174663367647385
Energy: 1.4678526417012203
Energy: 1.7174663367647385
Energy: 1.4783149758193634
Energy: 1.7241112976882804
Energy: 1.4725684943976778
Energy: 1.7241112976899755
Energy: 1.4783149758176684
Energy: 1.724111297689128
Energy: 1.4821992774002264
Energy: 1.460182236493539
Energy: 1.4803367469177515
Energy: 1.460182236491844
Energy: 1.4821992773993786
Energy: 1.4601822364926915
Energy: 1.484193058262996
Energy: 1.4711753945713115
Energy: 1.4570728596533142
Energy: 1.471175394572159
Energy: 1.484193058262996
Energy: 1.471175394572159
Energy: 1.4629658265621184
Energy: 1.4645273783003414
Energy: 1.4799521671513913
Energy: 1.4645273782994936
Energy: 1.462965826564661
Energy: 1.4645273782986463
Energy: 1.4606487721643702
Energy: 1.510799324296203
Energy: 1.4797070165706039
Energy: 1.510799324296203
Energy: 1.4606487721652177
Energy: 1.5107993242953555
Energy: 1.4811979381867206
Energy: 1.4580154528121276
Energy: 1.468673704124806
Energy: 1.4580154528121276
Energy: 1.4811979381867206
Energy: 1.45801545281128
Energy: 1.477367528927102
Energy: 1.4643635239673032
Energy: 1.458945760364031
Energy: 1.4643635239749313
Energy: 1.477367528927102
Energy: 1.464363523959675
Energy: 1.468528319136055
Energy: 1.4526828771361568
Energy: 1.4666809358780992
Energy: 1.452682877137852
Energy: 1.4685283191369025
Energy: 1.452682877137852
Energy: 1.4919716124120432
Energy: 1.7228698498542667
Energy: 1.4688385525560772
Energy: 1.7228698498551143
Energy: 1.4919716124111957
Energy: 1.7228698498551143
Energy: 1.4804434992616649
Energy: 1.7434729356917673
Energy: 1.4659322917310762
Energy: 1.74347293569092
Energy: 1.4804434992616649
Energy: 1.74347293569092
Energy: 1.491204524706894
Energy: 1.4679891127825044
Energy: 1.471328104992861
Energy: 1.467989112783352
Energy: 1.4912045247077415
Energy: 1.4679891127825044
Energy: 1.4817122864561718
Energy: 1.7228643011963218
Energy: 1.468362265445953
Energy: 1.7228643011954745
Energy: 1.4817122864561718
Energy: 1.7228643011954745
Energy: 1.4695187317896958
Energy: 1.716370216606461
Energy: 1.4777365962494853
Energy: 1.716370216606461
Energy: 1.4695187317896958
Energy: 1.716370216606461
Energy: 1.4562612016782557
Energy: 1.4495259820782107
Energy: 1.4829135741402049
Energy: 1.46039300544025
Energy: 1.4562612016782557
Energy: 1.612097985442473
Energy: 1.4777689712379962
Energy: 1.517261929847399
Energy: 1.4775098171858667
Energy: 1.5172619298490944
Energy: 1.4777689712379962
Energy: 1.5172619298482466
Energy: 1.4562242937232845
Energy: 1.4712375395881967
Energy: 1.4812344519873368
Energy: 1.4712375395890445
Energy: 1.4562242937232845
Energy: 1.4712375395890445
Energy: 1.4795345211012187
Energy: 1.4691571973709507
Energy: 1.477961518858958
Energy: 1.469157197370103
Energy: 1.4795345211012187
Energy: 1.4691571973709507
Energy: 1.4797817115013394
Energy: 1.4697850307522382
Energy: 1.4801911868929214
Energy: 1.4697850307530855
Energy: 1.4797817115013394
Energy: 1.4697850307522382
Energy: 1.4746085662561201
Energy: 1.4717210461837051
Energy: 1.4948602758687481
Energy: 1.4717210461845527
Energy: 1.4746085662544253
Energy: 1.4717210461845527
Energy: 1.4663107461419809
Energy: 1.4611256884933386
Energy: 1.480937637697379
Energy: 1.4611256884941861
Energy: 1.466310746141133
Energy: 1.4611256884941861
Energy: 1.45902828936105
Energy: 1.4638056852474362
Energy: 1.4671906235364045
Energy: 1.4638056852474362
Energy: 1.45902828936105
Energy: 1.4638056852482837
Energy: 1.455616391346003
Energy: 1.7215652655365437
Energy: 1.4792250951637975
Energy: 1.7215652655340008
Energy: 1.4556163913468505
Energy: 1.7215652655348483
Energy: 1.478322043926571
Energy: 1.4742155714597418
Energy: 1.4687244385635012
Energy: 1.4742155714597418
Energy: 1.478322043926571
Energy: 1.4742155714597418

minimum gb energy = 1.4495259820782107 eV
minimum distance =  2.31055791471327 Angstroms
sigma value = 33


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

Energy: 0.01436324770897072
Energy: 0.029393330274229253
Energy: -0.6703396738575984
Energy: 0.029393330274229253
Energy: 0.01436324770897072
Energy: 0.029393330272820806
Energy: 0.014975197524652784
Energy: 0.739379384298505
Energy: 0.014975197524652784
Energy: 0.739379384298505
Energy: 0.014975197524652784
Energy: 0.739379384298505
Energy: -0.6703396738741085
Energy: 0.02939333027352503
Energy: 0.01436324770897072
Energy: 0.029393330274229253
Energy: -0.670339673912645
Energy: 0.029393330274229253
Energy: 0.014975197524652784
Energy: 0.7393793843005785
Energy: 0.014975197524652784
Energy: 0.7393793842998743
Energy: 0.014975197524652784
Energy: 0.7393793842998743

minimum gb energy = -0.670339673912645 eV
minimum distance =  2.46736827674097 Angstroms
sigma value = 1