Model name: model_name=MEAM_LAMMPS_ChoiKimSeol_2017_NiMn__MO_348689608050_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.521391771733761
cohesive_energy=4.450349977866793
mass=58.6934
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: 0.018146766764458346
Energy: 1.2209109696650113
Energy: 0.018146766764458346
Energy: 1.2209109696650113
Energy: 0.018146766764752128
Energy: 1.2209109696650113
Energy: 1.2209109696650113
Energy: 1.466854023223064
Energy: 1.2209109696650113
Energy: 1.4668540232233944
Energy: 1.2209109696650113
Energy: 1.4668540232217786
Energy: 0.018146766764458346
Energy: 1.2209109696650113
Energy: 0.018146766764127843
Energy: 1.2209109696650113
Energy: 0.018146766764752128
Energy: 1.220910969665342
Energy: 1.220910969665342
Energy: 1.4668540232233944
Energy: 1.2209109696650113
Energy: 1.625906481365049
Energy: 1.2209109696646807
Energy: 1.4668540232214482
Energy: 0.018146766764458346
Energy: 1.2209109696650113
Energy: 0.018146766764458346
Energy: 1.2209109696650113
Energy: 0.018146766764752128
Energy: 1.220910969665342
Energy: 1.2209109696650113
Energy: 1.4668540232224396
Energy: 1.2209109696650113
Energy: 1.466854023222109
Energy: 1.2209109696650113
Energy: 1.4668540232227334

minimum gb energy = 0.018146766764127843 eV
minimum distance =  2.36839937655165 Angstroms
sigma value = 1


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

Energy: 1.5750036650812491
Energy: 1.5089368294286785
Energy: 1.5750036650812491
Energy: 1.5089368294286785
Energy: 1.5750036650820447
Energy: 1.508936829427883
Energy: 1.7441817853641866
Energy: 1.4074978983058961
Energy: 1.7441817853641866
Energy: 1.4074978983066917
Energy: 1.7441817853641866
Energy: 1.4074978983066917
Energy: 1.4930616220232749
Energy: 1.58199517459819
Energy: 1.5537393299408793
Energy: 1.58199517459819
Energy: 1.4930616220232749
Energy: 1.58199517459819
Energy: 1.6507431553351197
Energy: 1.485874137100065
Energy: 1.6507431553359155
Energy: 1.485874137100065
Energy: 1.6507431553359155
Energy: 1.485874137100065
Energy: 1.5051624787375195
Energy: 1.6531380326481286
Energy: 1.5051624787391107
Energy: 1.6531380326481286
Energy: 1.5051624787383153
Energy: 1.6531380326473333
Energy: 1.6235805582375082
Energy: 1.4412518113099473
Energy: 1.6235805582375082
Energy: 1.4412518113099473
Energy: 1.6235805582375082
Energy: 1.4412518113091517
Energy: 1.5049896576012924
Energy: 1.5468308309403505
Energy: 1.5049896576012924
Energy: 1.5468308309403505
Energy: 1.504989657602088
Energy: 1.546830830939555
Energy: 1.454004963623587
Energy: 1.6776950777860606
Energy: 1.454004963623587
Energy: 1.6776950777860606
Energy: 1.454004963623587
Energy: 1.6776950777860606
Energy: 1.610611869767809
Energy: 1.5461252275979742
Energy: 1.610611869767809
Energy: 1.5461252275979742
Energy: 1.610611869767809
Energy: 1.5461252275987698
Energy: 1.388693023756198
Energy: 1.6560987319958813
Energy: 1.388693023756198
Energy: 1.6560987319958813
Energy: 1.388693023756198
Energy: 1.6560987319950855
Energy: 1.8068782970558332
Energy: 1.4391442071119867
Energy: 1.8068782970558332
Energy: 1.4391442071119867
Energy: 1.8068782970558332
Energy: 1.4391442071119867
Energy: 1.3677387860869592
Energy: 1.8993929707625556
Energy: 1.3677387860877548
Energy: 1.8993929707641466
Energy: 1.3677387860877548
Energy: 1.8993929707641466
Energy: 1.695290107401107
Energy: 1.353539619194251
Energy: 1.695290107401903
Energy: 1.3535396191950466
Energy: 1.695290107401903
Energy: 1.353539619194251
Energy: 1.4608759344228517
Energy: 1.4889764789287185
Energy: 1.460875934422056
Energy: 1.4889764789287185
Energy: 1.460875934422056
Energy: 1.4889764789287185
Energy: 1.7711550602593806
Energy: 1.4012565793204599
Energy: 1.7711550602601762
Energy: 1.4012565793204599
Energy: 1.7711550602601762
Energy: 1.4012565793204599
Energy: 1.765278446371815
Energy: 1.5997770230718003
Energy: 1.7652784463710192
Energy: 1.5997770230718003
Energy: 1.765278446371815
Energy: 1.5997770230718003
Energy: 1.5319659275016246
Energy: 1.5455680160315406
Energy: 1.5319659275016246
Energy: 1.5455680160315406
Energy: 1.5319659275016246
Energy: 1.5455680160315406
Energy: 1.5349358976903478
Energy: 1.4718594638687974
Energy: 1.5349358976903478
Energy: 1.4718594638680018
Energy: 1.5349358976895522
Energy: 1.4718594638680018
Energy: 1.4186583387049767
Energy: 1.4818445373451887
Energy: 1.4186583387041813
Energy: 1.4818445373443931
Energy: 1.4186583387049767
Energy: 1.4818445373451887
Energy: 1.601499539172004
Energy: 1.4400334262131025
Energy: 1.6014995391712084
Energy: 1.4400334262131025
Energy: 1.6014995391712084
Energy: 1.4400334262131025
Energy: 1.4201803740841907
Energy: 1.9091798900496697
Energy: 1.4201803740833954
Energy: 1.9091798900504655
Energy: 1.4201803740833954
Energy: 1.9091798900496697
Energy: 1.59677109410621
Energy: 1.5494488818459597
Energy: 1.5967710941054145
Energy: 1.5494488818467556
Energy: 1.59677109410621
Energy: 1.5494488818459597
Energy: 1.3710976861152464
Energy: 1.69509732843437
Energy: 1.3710976861152464
Energy: 1.6950973284351654
Energy: 1.3710976861152464
Energy: 1.69509732843437

minimum gb energy = 1.353539619194251 eV
minimum distance =  2.25206626849349 Angstroms
sigma value = 33


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

Energy: 1.5593876008550127
Energy: 1.6407726396172355
Energy: 1.5593876008550127
Energy: 1.640772639617688
Energy: 1.5593876008550127
Energy: 1.6407726396172355
Energy: 1.5898613105364194
Energy: 1.4952156262758955
Energy: 1.5898613105364194
Energy: 1.495215626275443
Energy: 1.5898613105373243
Energy: 1.495215626275443
Energy: 1.3825512074987238
Energy: 1.4839853123360316
Energy: 1.3825512074987238
Energy: 1.4839853123328641
Energy: 1.3825512074991764
Energy: 1.483985312333769
Energy: 1.594881486994792
Energy: 1.6626693784675386
Energy: 1.5948814869952448
Energy: 1.6626693784670863
Energy: 1.5948814869961496
Energy: 1.6626693784675386
Energy: 1.470179905274631
Energy: 1.5441170312556385
Energy: 1.4701799052741784
Energy: 1.5441170309987347
Energy: 1.470179905274631
Energy: 1.5441170307997116
Energy: 1.4840308411243621
Energy: 1.3658556765889494
Energy: 1.4840308411243621
Energy: 1.3658556765894019
Energy: 1.4840308411234568
Energy: 1.3658556765894019
Energy: 1.6517823718677356
Energy: 1.5602140798523796
Energy: 1.651782371867283
Energy: 1.5602140798523796
Energy: 1.651782371867283
Energy: 1.560214079852832
Energy: 1.3542111451407364
Energy: 1.5620394903551984
Energy: 1.354211145140284
Energy: 1.5620394903561035
Energy: 1.3542111451416414
Energy: 1.5620394903547459
Energy: 1.4170131444405665
Energy: 1.3832600511787547
Energy: 1.417013144440114
Energy: 1.3832600511787547
Energy: 1.417013144440114
Energy: 1.3832600511787547
Energy: 1.3703798971139305
Energy: 1.5773942584104865
Energy: 1.370379897114383
Energy: 1.5773942584104865
Energy: 1.370379897114383
Energy: 1.5773942584113911
Energy: 1.578881857343152
Energy: 1.370649068702656
Energy: 1.5788818573449621
Energy: 1.3706490687031088
Energy: 1.5788818573449621
Energy: 1.3706490687031088
Energy: 1.3686889821481305
Energy: 1.4159834537383822
Energy: 1.3686889821472257
Energy: 1.4159834537383822
Energy: 1.368688982147678
Energy: 1.415983453739287
Energy: 1.5599625055111528
Energy: 1.3538479075929455
Energy: 1.5599625055107
Energy: 1.3538479075929455
Energy: 1.5599625055111528
Energy: 1.3538479075929455
Energy: 1.559453660698848
Energy: 1.6457262109224384
Energy: 1.5594536606993006
Energy: 1.6457262109224384
Energy: 1.559453660698848
Energy: 1.6457262109224384
Energy: 1.4902233449905569
Energy: 1.4860779533390944
Energy: 1.4902233449905569
Energy: 1.4860779533399995
Energy: 1.4902233449891995
Energy: 1.4860779533390944
Energy: 1.3642351452537123
Energy: 1.4941165158426988
Energy: 1.3642351452537123
Energy: 1.4941165158426988
Energy: 1.3642351452541648
Energy: 1.4941165158426988
Energy: 1.6642862876107516
Energy: 1.5910670808915428
Energy: 1.6642862876107516
Energy: 1.5910670808919956
Energy: 1.6642862876107516
Energy: 1.5910670808919956
Energy: 1.492439498047971
Energy: 1.3660448466630362
Energy: 1.4924394980484232
Energy: 1.3660448466634887
Energy: 1.492439498047971
Energy: 1.3660448466630362
Energy: 1.488221249400812
Energy: 1.491465733036641
Energy: 1.488221249401717
Energy: 1.4914657330357362
Energy: 1.488221249399907
Energy: 1.4914657330357362
Energy: 1.6436873765898774
Energy: 1.5640402699717306
Energy: 1.6436873765894253
Energy: 1.5640402699717306
Energy: 1.6436873765894253
Energy: 1.564040269971278
Energy: 1.3749598177032631
Energy: 1.562244765722646
Energy: 1.3749598177028106
Energy: 1.562244765722646
Energy: 1.3749598177028106
Energy: 1.5622447657217406
Energy: 1.4840215114825215
Energy: 1.3832156909559432
Energy: 1.4840215114834265
Energy: 1.3832156909559432
Energy: 1.484021511482069
Energy: 1.3832156909559432
Energy: 1.3703629629920353
Energy: 1.578956385847278
Energy: 1.3703629629920353
Energy: 1.5789563858477307
Energy: 1.3703629629924878
Energy: 1.578956385846373
Energy: 1.5780001418900007
Energy: 1.4707246025946
Energy: 1.5780001418909058
Energy: 1.4707246025941474
Energy: 1.5780001418895484
Energy: 1.4707246025946
Energy: 1.3829057548490749
Energy: 1.4838907358630717
Energy: 1.3829057548490749
Energy: 1.483890735863524
Energy: 1.3829057548490749
Energy: 1.483890735863524
Energy: 1.5603397240279313
Energy: 1.5954985730999636
Energy: 1.5603397240283838
Energy: 1.5954985730990587
Energy: 1.5603397240274788
Energy: 1.5954985730995113
Energy: 1.5609940525925023
Energy: 1.5959230157491773
Energy: 1.5609940525929549
Energy: 1.5959230157500823
Energy: 1.5609940525915975
Energy: 1.5959230157491773
Energy: 1.382872358360636
Energy: 1.4839268165672626
Energy: 1.382872358360636
Energy: 1.4839268165672626
Energy: 1.3828723583610885
Energy: 1.4839268165681674
Energy: 1.5780644536728297
Energy: 1.470717527484463
Energy: 1.5780644536728297
Energy: 1.470717527485368
Energy: 1.578064453673282
Energy: 1.470717527484463
Energy: 1.3705665937484255
Energy: 1.5801374964800614
Energy: 1.3705665937484255
Energy: 1.5801374964800614
Energy: 1.3705665937475202
Energy: 1.5801374964796089
Energy: 1.4838259048068205
Energy: 1.3834153847645136
Energy: 1.4838259048244684
Energy: 1.3834153847640613
Energy: 1.483825904806368
Energy: 1.3834153847645136
Energy: 1.37503213127512
Energy: 1.5632325480342304
Energy: 1.37503213127512
Energy: 1.5632325480342304
Energy: 1.3750321312746672
Energy: 1.5632325480342304
Energy: 1.6439232657423537
Energy: 1.5640582643002185
Energy: 1.6439232657419012
Energy: 1.564058264300671
Energy: 1.6439232657423537
Energy: 1.5640582643011236
Energy: 1.488266838329838
Energy: 1.4917826419991935
Energy: 1.4882668383293856
Energy: 1.4917826419991935
Energy: 1.4882668383293856
Energy: 1.4917826419991935
Energy: 1.4926999893552408
Energy: 1.3666183083616716
Energy: 1.492699989356146
Energy: 1.3666183083616716
Energy: 1.4926999893547883
Energy: 1.3666183083616716
Energy: 1.6643160519834481
Energy: 1.591052701062123
Energy: 1.6643160519834481
Energy: 1.5910527010625755
Energy: 1.6643160519834481
Energy: 1.5910527010616704
Energy: 1.3642975039685774
Energy: 1.4937598313291724
Energy: 1.3642975039667673
Energy: 1.4937598313291724
Energy: 1.3642975039676726
Energy: 1.4937598313291724
Energy: 1.4901744562209682
Energy: 1.485599919434489
Energy: 1.4901744562214208
Energy: 1.485599919434489
Energy: 1.4901744562209682
Energy: 1.485599919434489
Energy: 1.5593704076581798
Energy: 1.6457342286111032
Energy: 1.5593704076586323
Energy: 1.6457342286106504
Energy: 1.5593704076577273
Energy: 1.6457342286111032
Energy: 1.559967115917653
Energy: 1.3538021111941434
Energy: 1.5599671159181054
Energy: 1.3538021111941434
Energy: 1.559967115917653
Energy: 1.3538021111941434
Energy: 1.3686542732284164
Energy: 1.4161387137434598
Energy: 1.3686542732288687
Energy: 1.4161387137425547
Energy: 1.3686542732288687
Energy: 1.416138713743912

minimum gb energy = 1.3538021111941434 eV
minimum distance =  2.34062276562861 Angstroms
sigma value = 51


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

Energy: 1.5494691002390097
Energy: 1.5767999039921816
Energy: 1.5494691002390097
Energy: 1.5767999039921816
Energy: 1.5494691002390097
Energy: 1.5767999039921816
Energy: 1.6678351637819622
Energy: 1.5164560354697927
Energy: 1.6678351637819622
Energy: 1.516456035468744
Energy: 1.6678351637819622
Energy: 1.5164560354697927
Energy: 1.4828989882887496
Energy: 1.5561514745986855
Energy: 1.482898988289798
Energy: 1.5561514745976368
Energy: 1.482898988289798
Energy: 1.5561514745976368
Energy: 1.5393326076230975
Energy: 1.4030816976815164
Energy: 1.5393326076220488
Energy: 1.403081697682565
Energy: 1.5393326076210003
Energy: 1.4030816976815164
Energy: 1.6036629206006858
Energy: 1.4999725393841135
Energy: 1.6036629206006858
Energy: 1.4999725393841135
Energy: 1.6036629206017343
Energy: 1.4999725393830652
Energy: 1.6023330414052508
Energy: 1.5001009170136042
Energy: 1.6023330414052508
Energy: 1.5001009170136042
Energy: 1.6023330414052508
Energy: 1.5001009170136042
Energy: 1.5490401694244118
Energy: 1.4994369525452826
Energy: 1.5490401694254603
Energy: 1.4994369525452826
Energy: 1.5490401694254603
Energy: 1.4994369525452826
Energy: 1.4420090555324019
Energy: 1.5005727630246686
Energy: 1.4420090555313534
Energy: 1.5005727630246686
Energy: 1.4420090555324019
Energy: 1.5005727630257168
Energy: 1.7763731407956667
Energy: 1.402892817820688
Energy: 1.7763731407956667
Energy: 1.4028928178196396
Energy: 1.7763731407956667
Energy: 1.4028928178196396
Energy: 1.432137190206403
Energy: 1.7665925319797346
Energy: 1.432137190206403
Energy: 1.7665925319797346
Energy: 1.4321371902074516
Energy: 1.7665925319797346
Energy: 1.6619802245104227
Energy: 1.4010923898810725
Energy: 1.6619802245083262
Energy: 1.4010923898810725
Energy: 1.6619802245093744
Energy: 1.4010923898810725
Energy: 1.546902716741312
Energy: 1.5797573622804832
Energy: 1.546902716741312
Energy: 1.5797573622804832
Energy: 1.546902716741312
Energy: 1.5797573622804832
Energy: 1.6686090318611937
Energy: 1.5134531577595924
Energy: 1.6686090318601454
Energy: 1.5134531577606407
Energy: 1.668609031859097
Energy: 1.5134531577606407
Energy: 1.483251080347181
Energy: 1.4708903408726075
Energy: 1.483251080347181
Energy: 1.4708903408726075
Energy: 1.483251080347181
Energy: 1.4708903408726075
Energy: 1.578268044284347
Energy: 1.5488464304657557
Energy: 1.578268044284347
Energy: 1.5488464304657557
Energy: 1.5782680442832984
Energy: 1.5488464304657557
Energy: 1.5876480661936967
Energy: 1.4998791808523233
Energy: 1.5876480661936967
Energy: 1.4998791808523233
Energy: 1.5876480661936967
Energy: 1.4998791808523233
Energy: 1.6021855970321002
Energy: 1.6194252200628958
Energy: 1.6021855970321002
Energy: 1.6194252200628958
Energy: 1.6021855970321002
Energy: 1.6194252200628958
Energy: 1.5475059661175798
Energy: 1.499553020156632
Energy: 1.5475059661175798
Energy: 1.499553020156632
Energy: 1.5475059661175798
Energy: 1.499553020156632

minimum gb energy = 1.4010923898810725 eV
minimum distance =  2.25579144370101 Angstroms
sigma value = 19


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

Energy: 1.3093533304840372
Energy: 1.3337752207257867
Energy: 1.3093533304834153
Energy: 1.3337752207264084
Energy: 1.3093533304840372
Energy: 1.3337752207264084
Energy: 1.5027373981925134
Energy: 1.5787159989178987
Energy: 1.5027373981925134
Energy: 1.5787159989178987
Energy: 1.5027373981912697
Energy: 1.5787159989172768
Energy: 1.25962608188443
Energy: 1.5780559247379184
Energy: 1.259626081885052
Energy: 1.5780559247379184
Energy: 1.259626081885052
Energy: 1.5780559247372965
Energy: 1.3871223559141515
Energy: 1.259847261269061
Energy: 1.3871223559141515
Energy: 1.259847261268439
Energy: 1.3871223559141515
Energy: 1.259847261268439
Energy: 1.2890474985396814
Energy: 1.3070000011696934
Energy: 1.2890474985384373
Energy: 1.3070000011696934
Energy: 1.2890474985396814
Energy: 1.3070000011703153
Energy: 1.2889424314950488
Energy: 1.3069661832684347
Energy: 1.2889424314944269
Energy: 1.3069661832684347
Energy: 1.2889424314944269
Energy: 1.3069661832684347
Energy: 1.3871516518264022
Energy: 1.2597816288222305
Energy: 1.3871516518264022
Energy: 1.259781628821637
Energy: 1.3871516518264022
Energy: 1.259781628821637
Energy: 1.2597048280775522
Energy: 1.5785967798576828
Energy: 1.2597048280775522
Energy: 1.5785967798583047
Energy: 1.2597048280775522
Energy: 1.5785967798558171
Energy: 1.5013375748227669
Energy: 1.5783580864050035
Energy: 1.5013375748233886
Energy: 1.5783580864050035
Energy: 1.5013375748227669
Energy: 1.5783580864050035
Energy: 1.3093533304834153
Energy: 1.3337752207264084
Energy: 1.3093533304827933
Energy: 1.3337752207257867
Energy: 1.3093533304834153
Energy: 1.3337752207264084
Energy: 1.5027373981918914
Energy: 1.5787159989178987
Energy: 1.5027373981925134
Energy: 1.5787159989178987
Energy: 1.5027373981925134
Energy: 1.5787159989185207
Energy: 1.25962608188443
Energy: 1.5780559247379184
Energy: 1.25962608188443
Energy: 1.5780559247372965
Energy: 1.259626081885052
Energy: 1.5780559247372965
Energy: 1.3871223559147734
Energy: 1.259847261269061
Energy: 1.3871223559147734
Energy: 1.259847261268439
Energy: 1.3871223559141515
Energy: 1.259847261268439
Energy: 1.2890474985390594
Energy: 1.3070000011696934
Energy: 1.2890474985390594
Energy: 1.3070000011696934
Energy: 1.2890474985396814
Energy: 1.3070000011696934
Energy: 1.2889424314944269
Energy: 1.306966183267841
Energy: 1.2889424314950488
Energy: 1.3069661832684347
Energy: 1.2889424314944269
Energy: 1.3069661832684347
Energy: 1.3871516518264022
Energy: 1.259781628821637
Energy: 1.38715165182578
Energy: 1.2597816288203931
Energy: 1.3871516518264022
Energy: 1.259781628821637
Energy: 1.2597048280775522
Energy: 1.578596779856439
Energy: 1.2597048280775522
Energy: 1.578596779856439
Energy: 1.2597048280775522
Energy: 1.5785967798583047
Energy: 1.5013375748233886
Energy: 1.5783580864050035
Energy: 1.5013375748233886
Energy: 1.5783580864050035
Energy: 1.5013375748233886
Energy: 1.5783580864043816
Energy: 1.3093533304834153
Energy: 1.3337752207264084
Energy: 1.3093533304834153
Energy: 1.3337752207264084
Energy: 1.3093533304840372
Energy: 1.3337752207264084
Energy: 1.5027373981925134
Energy: 1.5787159989178987
Energy: 1.5027373981918914
Energy: 1.5787159989178987
Energy: 1.5027373981931353
Energy: 1.5787159989178987
Energy: 1.259626081885052
Energy: 1.5780559247372965
Energy: 1.25962608188443
Energy: 1.5780559247379184
Energy: 1.259626081885052
Energy: 1.5780559247379184
Energy: 1.3871223559141515
Energy: 1.259847261268439
Energy: 1.3871223559141515
Energy: 1.2598472612678169
Energy: 1.3871223559141515
Energy: 1.259847261269061
Energy: 1.2890474985390594
Energy: 1.3070000011696934
Energy: 1.2890474985390594
Energy: 1.3070000011696934
Energy: 1.2890474985390594
Energy: 1.3070000011696934
Energy: 1.2889424314944269
Energy: 1.3069661832684347
Energy: 1.2889424314944269
Energy: 1.3069661832684347
Energy: 1.2889424314950488
Energy: 1.3069661832684347
Energy: 1.38715165182578
Energy: 1.259781628821637
Energy: 1.3871516518264022
Energy: 1.2597816288210153
Energy: 1.38715165182578
Energy: 1.259781628821637
Energy: 1.2597048280775522
Energy: 1.578596779856439
Energy: 1.2597048280775522
Energy: 1.5785967798570608
Energy: 1.2597048280775522
Energy: 1.5785967798589267
Energy: 1.5013375748227669
Energy: 1.5783580864043816
Energy: 1.5013375748233886
Energy: 1.5783580864043816
Energy: 1.5013375748227669
Energy: 1.5783580864050035
Energy: 1.3093533304834153
Energy: 1.3337752207257867
Energy: 1.3093533304827933
Energy: 1.3337752207264084
Energy: 1.3093533304834153
Energy: 1.3337752207257867
Energy: 1.5027373981925134
Energy: 1.5787159989178987
Energy: 1.5027373981918914
Energy: 1.5787159989185207
Energy: 1.5027373981925134
Energy: 1.5787159989178987
Energy: 1.25962608188443
Energy: 1.5780559247372965
Energy: 1.25962608188443
Energy: 1.5780559247379184
Energy: 1.25962608188443
Energy: 1.5780559247372965

minimum gb energy = 1.25962608188443 eV
minimum distance =  2.26688256961979 Angstroms
sigma value = 27


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

Energy: 1.281040644693853
Energy: 1.2424518874340613
Energy: 1.281040644693853
Energy: 1.2424518874340613
Energy: 1.281040644693853
Energy: 1.2424518874340613
Energy: 1.6538434956350052
Energy: 1.286181235596922
Energy: 1.6538434956350052
Energy: 1.286181235596922
Energy: 1.6538434956350052
Energy: 1.286181235596922
Energy: 1.2056033473843777
Energy: 1.4332458727688153
Energy: 1.2056033473843777
Energy: 1.4332458727688153
Energy: 1.2056033473843777
Energy: 1.4332458727688153
Energy: 1.4029638974962346
Energy: 1.2062034516957447
Energy: 1.4029638974962346
Energy: 1.2062034516957447
Energy: 1.4029638974947112
Energy: 1.2062034516942213
Energy: 1.6451059764013594
Energy: 1.20661541406543
Energy: 1.6451059764013594
Energy: 1.20661541406543
Energy: 1.6451059764013594
Energy: 1.20661541406543
Energy: 1.4408051043242123
Energy: 1.4977804363309413
Energy: 1.4408051043242123
Energy: 1.4977804363309413
Energy: 1.4408051043242123
Energy: 1.4977804363309413
Energy: 1.2080007366417405
Energy: 1.2884585362521985
Energy: 1.4015385124382507
Energy: 1.2884585362521985
Energy: 1.4015385124382507
Energy: 1.2884585362521985
Energy: 1.2772455467439947
Energy: 1.2487155008003215
Energy: 1.2772455467455182
Energy: 1.2487155008003215
Energy: 1.2772455467439947
Energy: 1.2487155008003215
Energy: 1.619612709364075
Energy: 1.326370212045893
Energy: 1.619612709364075
Energy: 1.3263702085710551
Energy: 1.619612709364075
Energy: 1.326370206392063
Energy: 1.3840493867964392
Energy: 1.4435657670624176
Energy: 1.3840493867964392
Energy: 1.4435657670639408
Energy: 1.3840493867964392
Energy: 1.4435657670639408
Energy: 1.3410479589303383
Energy: 1.2068506490244053
Energy: 1.3410479589303383
Energy: 1.2068506490244053
Energy: 1.3410479589303383
Energy: 1.2068506490244053
Energy: 1.4963455787787368
Energy: 1.3663413472832755
Energy: 1.4963455787787368
Energy: 1.3663413472832755
Energy: 1.4963455787787368
Energy: 1.3663413472832755

minimum gb energy = 1.2056033473843777 eV
minimum distance =  2.24683053397849 Angstroms
sigma value = 9


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

Energy: 1.2423726281672949
Energy: 1.265898479105196
Energy: 1.2423726281668672
Energy: 1.265898479105624
Energy: 1.2423726281668672
Energy: 1.265898479104768
Energy: 1.2986388433983285
Energy: 1.1408640629977653
Energy: 1.2986388434017528
Energy: 1.2573232549899118
Energy: 1.2986388434004685
Energy: 1.2034702920897855
Energy: 1.134292726705157
Energy: 1.3483947153252827
Energy: 1.134292726706013
Energy: 1.3483947153265667
Energy: 1.134292726705585
Energy: 1.3483947153248543
Energy: 1.1251004914325795
Energy: 1.0946991644539015
Energy: 1.1251004914321514
Energy: 1.0946991644534734
Energy: 1.1251004914321514
Energy: 1.0946991644534734
Energy: 1.2230641129718225
Energy: 1.1711038543818575
Energy: 1.2230641129718225
Energy: 1.1711038543818575
Energy: 1.2230641129709667
Energy: 1.1711038543814298
Energy: 1.2190192344911481
Energy: 1.2260814569350973
Energy: 1.2190192344911481
Energy: 1.2457951205526179
Energy: 1.21901923449072
Energy: 1.226011594839098
Energy: 1.1511663652311313
Energy: 1.2731572449316326
Energy: 1.1511663652298474
Energy: 1.2731572449316326
Energy: 1.1511663652302753
Energy: 1.273157244932061
Energy: 1.0672379251529307
Energy: 1.31477639991385
Energy: 1.0672379251529307
Energy: 1.31477639991385
Energy: 1.0672379251529307
Energy: 1.314776399914278
Energy: 1.2447263289960742
Energy: 1.1711077993053658
Energy: 1.2447263289977863
Energy: 1.171107799307078
Energy: 1.2447263289994983
Energy: 1.1711077993066497
Energy: 1.226062084204875
Energy: 1.5657734519419517
Energy: 1.2260620842031629
Energy: 1.565773451941524
Energy: 1.226062084204875
Energy: 1.5657734519423798
Energy: 1.1288535541179192
Energy: 1.0999986736744156
Energy: 1.128853554117491
Energy: 1.0999986736744156
Energy: 1.128853554117491
Energy: 1.0999986736748435
Energy: 1.1611080947899532
Energy: 1.2571667874539358
Energy: 1.161108094790381
Energy: 1.2571667874535075
Energy: 1.1611080947899532
Energy: 1.2571667874535075
Energy: 1.1902988591871329
Energy: 1.2084493672267675
Energy: 1.190298859187561
Energy: 1.2084493672271954
Energy: 1.190298859187561
Energy: 1.2084493672271954
Energy: 1.2388307567324595
Energy: 1.5960547638645792
Energy: 1.2388307567320314
Energy: 1.5960547638658635
Energy: 1.2388307567324595
Energy: 1.5960547638662914
Energy: 1.112349556243945
Energy: 1.2336406440989138
Energy: 1.112349556243945
Energy: 1.2336406440993417
Energy: 1.112349556243945
Energy: 1.2336406440976297
Energy: 1.1360718869716644
Energy: 1.1851258397336677
Energy: 1.1360718869725206
Energy: 1.1851258397336677
Energy: 1.1360718869725206
Energy: 1.1851258397340958
Energy: 1.451600710246748
Energy: 1.0945072842401369
Energy: 1.4516007102480322
Energy: 1.0945072842401369
Energy: 1.4516007102476043
Energy: 1.0945072842401369
Energy: 1.1241485142577408
Energy: 1.172131480889634
Energy: 1.1241485142577408
Energy: 1.1721314808892058
Energy: 1.1241485142581686
Energy: 1.172131480889634
Energy: 1.0633914078751463
Energy: 1.5260759096227012
Energy: 1.0633914078751463
Energy: 1.5260759096222731
Energy: 1.0633914078755744
Energy: 1.5260759096222731
Energy: 1.563092038261875
Energy: 1.3768272934586638
Energy: 1.5630920382623028
Energy: 1.3768272934586638
Energy: 1.5630920382623028
Energy: 1.3469375872804759
Energy: 1.063362189713195
Energy: 1.5262386389999887
Energy: 1.063362189713195
Energy: 1.5262386389999887
Energy: 1.0633621897119112
Energy: 1.5262386389999887
Energy: 1.124368021641234
Energy: 1.1725167667653495
Energy: 1.1243680216425183
Energy: 1.1725167667666336
Energy: 1.1243680216420904
Energy: 1.1725167667657777
Energy: 1.4516275848047016
Energy: 1.0947471921683973
Energy: 1.4516275848059856
Energy: 1.0947471921692533
Energy: 1.4516275848064137
Energy: 1.0947471921688252
Energy: 1.1360635245121888
Energy: 1.2150231162937122
Energy: 1.1360635245121888
Energy: 1.215023116293284
Energy: 1.1360635245121888
Energy: 1.215023116293284
Energy: 1.1122986300664548
Energy: 1.233436033081061
Energy: 1.112298630066883
Energy: 1.233436033081489
Energy: 1.112298630067311
Energy: 1.233436033081489
Energy: 1.239095626031836
Energy: 1.3502347735077491
Energy: 1.23909562603098
Energy: 1.3502347735081774
Energy: 1.239095626031836
Energy: 1.3502347735081774
Energy: 1.191158578708199
Energy: 1.207987168826076
Energy: 1.191158578708199
Energy: 1.207987168826076
Energy: 1.1911585787086272
Energy: 1.207987168826076
Energy: 1.1614953601554459
Energy: 1.1786477828979531
Energy: 1.1614953601554459
Energy: 1.1786477828975248
Energy: 1.161495360155018
Energy: 1.1786477828975248
Energy: 1.1288301281834692
Energy: 1.0999477232779562
Energy: 1.1288301281834692
Energy: 1.0999477232779562
Energy: 1.1288301281838968
Energy: 1.0999477232779562
Energy: 1.2253629751644879
Energy: 1.3209470025287804
Energy: 1.2253629751640596
Energy: 1.320947002525356
Energy: 1.2253629751644879
Energy: 1.3209470025257843
Energy: 1.2450254045909743
Energy: 1.171392730990752
Energy: 1.2450254045867326
Energy: 1.1713927309894678
Energy: 1.245025404588873
Energy: 1.171392730990324
Energy: 1.0673954971582722
Energy: 1.3147919524382097
Energy: 1.0673954971604123
Energy: 1.3147919524386373
Energy: 1.0673954971599842
Energy: 1.3147919524386373
Energy: 1.1517008739578318
Energy: 1.2723489233174823
Energy: 1.1517008739582595
Energy: 1.2723489233179104
Energy: 1.1517008739586876
Energy: 1.2723489233200505
Energy: 1.2191898841711066
Energy: 1.2197197962144442
Energy: 1.2191898841723907
Energy: 1.2197197962140163
Energy: 1.2191898841711066
Energy: 1.2197197962140163
Energy: 1.223086509170635
Energy: 1.1714488170494781
Energy: 1.223086509170635
Energy: 1.1714488170494781
Energy: 1.2230865091702068
Energy: 1.1714488170477657
Energy: 1.125179368683202
Energy: 1.0947902251026562
Energy: 1.1251793686836298
Energy: 1.0947902251039403
Energy: 1.1251793686836298
Energy: 1.0947902251035124
Energy: 1.1343586620621577
Energy: 1.3482741629025365
Energy: 1.1343586620621577
Energy: 1.3482741629016803
Energy: 1.134358662063014
Energy: 1.3482741629042485
Energy: 1.2987507946941206
Energy: 1.1851374352221744
Energy: 1.2987507946949766
Energy: 1.1851374352221744
Energy: 1.2987507946971169
Energy: 1.1851374352221744
Energy: 1.2423726281668672
Energy: 1.265898479105624
Energy: 1.2423726281668672
Energy: 1.265898479105196
Energy: 1.2423726281672949
Energy: 1.265898479105196
Energy: 1.298638843402181
Energy: 1.2034702920889297
Energy: 1.2986388434013245
Energy: 1.2034702920889297
Energy: 1.2986388434000407
Energy: 1.2034702920889297
Energy: 1.134292726704729
Energy: 1.3483947153257103
Energy: 1.134292726704729
Energy: 1.3483947153257103
Energy: 1.134292726705157
Energy: 1.3483947153257103
Energy: 1.1251004914312954
Energy: 1.0946991644543296
Energy: 1.1251004914321514
Energy: 1.0946991644547575
Energy: 1.1251004914308673
Energy: 1.0946991644543296
Energy: 1.2230641129722508
Energy: 1.1711038543827137
Energy: 1.2230641129722508
Energy: 1.17110385438357
Energy: 1.2230641129722508
Energy: 1.1711038543827137

minimum gb energy = 1.0633621897119112 eV
minimum distance =  2.31280757739683 Angstroms
sigma value = 57


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

Energy: 0.8341316422085847
Energy: 0.7973818942916534
Energy: 0.5358191258944103
Energy: 0.7973818942916534
Energy: 0.8341316422095592
Energy: 0.7973818942916534
Energy: 0.9527970907952223
Energy: 0.7833690547917844
Energy: 0.9527970907952223
Energy: 0.7836570073552939
Energy: 0.9527970907952223
Energy: 0.7833690547908101
Energy: 0.8559844199730218
Energy: 0.9757156256851788
Energy: 0.8559844199749705
Energy: 1.2568186542545838
Energy: 0.8559844199739962
Energy: 0.9757156256910249
Energy: 0.7989066178815448
Energy: 0.683684925638397
Energy: 0.7989066178825192
Energy: 0.5354771579572769
Energy: 0.7989066178815448
Energy: 0.6836849256364483
Energy: 0.6940790033689821
Energy: 0.959549314892992
Energy: 0.6940790033699565
Energy: 0.9595493148939664
Energy: 0.6940790033689821
Energy: 0.959549314892992
Energy: 0.535635781348975
Energy: 0.8560124760281588
Energy: 0.5356357813480007
Energy: 0.8560124760281588
Energy: 0.5356357813480007
Energy: 0.8560124760291332
Energy: 0.5356245010793762
Energy: 0.6046860873542739
Energy: 0.5356245010803504
Energy: 0.6046860873552481
Energy: 0.5356245010784018
Energy: 0.6046860873552481
Energy: 0.9530140753501214
Energy: 0.7005028309949556
Energy: 0.9530140753501214
Energy: 0.7005028309939811
Energy: 0.9530140753501214
Energy: 0.7005028309949556
Energy: 0.7990904870491836
Energy: 0.5354695468747954
Energy: 0.799090487050158
Energy: 0.6836792301402578
Energy: 0.799090487050158
Energy: 0.5354695468728466
Energy: 0.604373542169016
Energy: 0.9719597232247308
Energy: 0.604373542169016
Energy: 0.9719597232247308
Energy: 0.604373542169016
Energy: 0.9719597232237563
Energy: 0.6943025027934078
Energy: 0.9940528337141888
Energy: 0.6943025027943822
Energy: 0.9940528337151632
Energy: 0.6943025027953565
Energy: 0.9940528337151632
Energy: 0.8341316422085847
Energy: 0.7973818942916534
Energy: 0.5358191258944103
Energy: 0.7973818942916534
Energy: 0.8341316422095592
Energy: 0.7973818942906791
Energy: 0.9527970907952223
Energy: 0.7833690547917844
Energy: 0.9527970907961968
Energy: 0.7836570073543195
Energy: 0.9527970907952223
Energy: 0.7833690547908101
Energy: 0.8559844199730218
Energy: 0.9757156256773838
Energy: 0.8559844199749705
Energy: 1.2568186542545838
Energy: 0.8559844199749705
Energy: 0.9757156256812812
Energy: 0.7989066178834935
Energy: 0.6836849256374227
Energy: 0.7989066178834935
Energy: 0.5354771579582512
Energy: 0.7989066178834935
Energy: 0.6836849256364483
Energy: 0.6940790033699565
Energy: 0.959549314892992
Energy: 0.6940790033709309
Energy: 0.959549314892992
Energy: 0.6940790033680079
Energy: 0.9595493148939664
Energy: 0.535635781348975
Energy: 0.8560124760281588
Energy: 0.535635781348975
Energy: 0.8560124760271844
Energy: 0.5356357813480007
Energy: 0.8560124760281588
Energy: 0.5356245010793762
Energy: 0.6046860873552481
Energy: 0.5356245010793762
Energy: 0.6046860873552481
Energy: 0.5356245010774273
Energy: 0.6046860873562225
Energy: 0.9530140753510957
Energy: 0.7005028309949556
Energy: 0.953014075349147
Energy: 0.7005028309949556
Energy: 0.953014075349147
Energy: 0.7005028309939811

minimum gb energy = 0.5354695468728466 eV
minimum distance =  2.4073695201452 Angstroms
sigma value = 11


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

Energy: 1.1103556108479902
Energy: 1.165739416143014
Energy: 1.1103556108479902
Energy: 1.1657394161423003
Energy: 1.1103556108487038
Energy: 1.1657394161423003
Energy: 1.2643200008433797
Energy: 1.155362553746137
Energy: 1.2643200008433797
Energy: 1.155362553746137
Energy: 1.2643200008433797
Energy: 1.155362553746137
Energy: 1.344791637008872
Energy: 1.624434073157202
Energy: 1.3789923979386638
Energy: 1.624434073157202
Energy: 1.344791637008872
Energy: 1.6244340731579157
Energy: 1.3631713025531873
Energy: 0.9938282548239897
Energy: 1.3631713025531873
Energy: 0.9938282548232759
Energy: 1.3631713025524734
Energy: 0.9938282548232759
Energy: 1.1335022535758292
Energy: 0.9367685280354402
Energy: 1.1335022535758292
Energy: 0.9367685280354402
Energy: 1.1335022535765429
Energy: 0.9367685280354402
Energy: 1.123297537529507
Energy: 1.0663509190919251
Energy: 1.123297537529507
Energy: 1.066350919092639
Energy: 1.123297537529507
Energy: 1.0663509190912115
Energy: 0.9440487744004084
Energy: 1.3348902813991943
Energy: 0.9440487743996947
Energy: 1.3348902813984804
Energy: 0.9440487743989808
Energy: 1.3348902813977668
Energy: 1.172948896300375
Energy: 0.9046910271488978
Energy: 1.172948896302516
Energy: 0.9046910271488978
Energy: 1.1729488963010886
Energy: 0.9046910271481842
Energy: 1.1696957276761373
Energy: 0.9207304868868115
Energy: 1.1696957276754234
Energy: 0.9207304868875251
Energy: 1.1696957276754234
Energy: 0.9207304868875251
Energy: 0.9244968546024417
Energy: 1.4423968947171077
Energy: 0.9244968546010143
Energy: 1.4423968947178216
Energy: 0.9244968546010143
Energy: 1.4423968947178216
Energy: 1.398062484258092
Energy: 1.4268722552183322
Energy: 1.3980624842573783
Energy: 1.4268722552183322
Energy: 1.398062484258092
Energy: 1.4268722552183322
Energy: 1.1353160709408892
Energy: 0.9369312359629829
Energy: 1.135316070940175
Energy: 0.9369312359622692
Energy: 1.135316070940175
Energy: 0.9369312359622692
Energy: 1.2058631582296024
Energy: 0.9994859304859318
Energy: 1.205863158230316
Energy: 0.9994859304837908
Energy: 1.2058631582296024
Energy: 0.9994859304866457
Energy: 1.2734614960085642
Energy: 1.5925207363616818
Energy: 1.2734614960092778
Energy: 1.5925207363623954
Energy: 1.2734614960085642
Energy: 1.5925207363623954
Energy: 1.4944866679148834
Energy: 1.1543310180866138
Energy: 1.4944866679141697
Energy: 1.1543310180866138
Energy: 1.4944866679141697
Energy: 1.1543310180866138
Energy: 1.0221307126770562
Energy: 1.1659972931285736
Energy: 1.02213071267777
Energy: 1.1659972931292872
Energy: 1.0221307126770562
Energy: 1.1659972931292872
Energy: 1.0470402136220163
Energy: 1.133882724008225
Energy: 1.0470402136213024
Energy: 1.1338827240089386
Energy: 1.0470402136227297
Energy: 1.1338827240089386
Energy: 1.4555256920491124
Energy: 1.552921804506298
Energy: 1.4555256920491124
Energy: 1.5529218045055846
Energy: 1.4555256920498265
Energy: 1.552921804506298
Energy: 1.358892670595145
Energy: 0.9893941799823324
Energy: 1.3588926705958586
Energy: 0.9893941799830461
Energy: 1.358892670595145
Energy: 0.9893941799830461
Energy: 1.1350827655417985
Energy: 1.0679307315952142
Energy: 1.1350827655403712
Energy: 1.0679307315945006
Energy: 1.1350827655403712
Energy: 1.0679307315952142
Energy: 0.9260871468097495
Energy: 1.067724027839866
Energy: 0.9260871468097495
Energy: 1.067724027839866
Energy: 0.9260871468090357
Energy: 1.067724027839152
Energy: 1.2212057171078967
Energy: 1.335390673471941
Energy: 1.2212057171086106
Energy: 1.335390673471941
Energy: 1.221205717110038
Energy: 1.3353906734712273
Energy: 1.195805721097631
Energy: 1.0926941375510453
Energy: 1.1958057210983446
Energy: 1.0926941375510453
Energy: 1.1958057210983446
Energy: 1.0926941375510453
Energy: 1.17011010383317
Energy: 1.0339140252402248
Energy: 1.170110103833884
Energy: 1.0339140252402248
Energy: 1.170110103833884
Energy: 1.0339140252409385
Energy: 0.9260685661412603
Energy: 1.4025495275361062
Energy: 0.9260685661426878
Energy: 1.4025495275368198
Energy: 0.9260685661419742
Energy: 1.4025495275361062
Energy: 1.6403689691220773
Energy: 1.4291872735011117
Energy: 1.640368969122791
Energy: 1.4291872735011117
Energy: 1.640368969122791
Energy: 1.429187273500398

minimum gb energy = 0.9046910271481842 eV
minimum distance =  2.30008794234941 Angstroms
sigma value = 41


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

Energy: 1.2605664432005648
Energy: 1.0945713761925713
Energy: 1.2605664432011272
Energy: 1.094571376193134
Energy: 1.2605664432011272
Energy: 1.094571376193134
Energy: 1.3197691766503763
Energy: 1.3472414765616605
Energy: 1.3197691766509387
Energy: 1.3472414765616605
Energy: 1.3197691766509387
Energy: 1.3472414765616605
Energy: 1.6099341480756002
Energy: 1.8453661663391054
Energy: 1.6099341480756002
Energy: 1.8453661663391054
Energy: 1.6099341480761626
Energy: 1.845366166338543
Energy: 1.2765542541174295
Energy: 1.0413587740038137
Energy: 1.276554254117992
Energy: 1.0413587740038137
Energy: 1.2765542541174295
Energy: 1.0413587740032513
Energy: 1.0112211845671064
Energy: 1.0938363240709121
Energy: 1.011221184566544
Energy: 1.0938363240709121
Energy: 1.0112211845671064
Energy: 1.0938363240709121
Energy: 1.2925606302247825
Energy: 1.2757476936551275
Energy: 1.2925606302247825
Energy: 1.2757476936551275
Energy: 1.2925606302247825
Energy: 1.2757476936551275
Energy: 1.0516891020716523
Energy: 1.439947579697227
Energy: 1.051689102072215
Energy: 1.4399475796977894
Energy: 1.051689102072215
Energy: 1.439947579697227
Energy: 1.0302584259045522
Energy: 1.0439573383591938
Energy: 1.0302584259051146
Energy: 1.0439573383558185
Energy: 1.0302584259045522
Energy: 1.0439573383575063
Energy: 1.0228077590102813
Energy: 1.0699101152604735
Energy: 1.0228077590108438
Energy: 1.0699101152593486
Energy: 1.0228077590102813
Energy: 1.069910115259911
Energy: 1.1313863037064371
Energy: 1.563396401361063
Energy: 1.131386303705312
Energy: 1.563396401361063
Energy: 1.1313863037064371
Energy: 1.563396401361063
Energy: 1.1344316417895355
Energy: 1.5582717512754325
Energy: 1.1344316417889726
Energy: 1.5582717512754325
Energy: 1.1344316417889726
Energy: 1.5582717512754325
Energy: 1.0329141207287056
Energy: 1.3270183677953213
Energy: 1.032914120729268
Energy: 1.327018367794759
Energy: 1.0329141207287056
Energy: 1.2162097730077976
Energy: 1.0213702623059617
Energy: 1.0659618255364383
Energy: 1.0213702623059617
Energy: 1.0659618255370007
Energy: 1.021370262305399
Energy: 1.0659618255364383
Energy: 0.9795593270063295
Energy: 1.4509160771148166
Energy: 0.9795593270063295
Energy: 1.4509160771148166
Energy: 0.9795593270068921
Energy: 1.4509160771131293
Energy: 1.287861944258339
Energy: 1.2759092085550618
Energy: 1.287861944258339
Energy: 1.2759092085550618
Energy: 1.2878619442577761
Energy: 1.2759092085533739
Energy: 1.0197464584074842
Energy: 1.2137282322635345
Energy: 1.019746458408047
Energy: 1.2137282322646596
Energy: 1.019746458408047
Energy: 1.2137282322646596
Energy: 1.0432836412743607
Energy: 1.066218852748692
Energy: 1.0432836412737982
Energy: 1.066218852748692
Energy: 1.0432836412743607
Energy: 1.0662188527492544
Energy: 1.371311957335695
Energy: 1.8446870326497808
Energy: 1.371311957335695
Energy: 1.8446870326497808
Energy: 1.371311957335695
Energy: 1.8446870326497808
Energy: 1.3278623468017723
Energy: 1.3466721198416147
Energy: 1.3278623468012098
Energy: 1.3466721198416147
Energy: 1.3278623468017723
Energy: 1.3466721198416147
Energy: 1.131177729332487
Energy: 1.3874260576479829
Energy: 1.1311777293313618
Energy: 1.3874260576479829
Energy: 1.1311777293307992
Energy: 1.3874260576479829
Energy: 1.0236792696678896
Energy: 1.3580587478561699
Energy: 1.0236792696678896
Energy: 1.3580587478561699
Energy: 1.0236792696678896
Energy: 1.3580587478561699
Energy: 1.6080760861627916
Energy: 1.6751527778739301
Energy: 1.6080760861627916
Energy: 1.6751527778722424
Energy: 1.6080760861639167
Energy: 1.6751527778728048
Energy: 1.2212408938346768
Energy: 1.0406187776767577
Energy: 1.2212408938346768
Energy: 1.0406187776773201
Energy: 1.2212408938346768
Energy: 1.0406187776767577
Energy: 1.0196271643822783
Energy: 1.3807697077167687
Energy: 1.0196271643828407
Energy: 1.3807697077167687
Energy: 1.0196271643822783
Energy: 1.3807697077167687
Energy: 0.9797304714344359
Energy: 1.42478450088439
Energy: 0.9797304714349985
Energy: 1.42478450088439
Energy: 0.9797304714344359
Energy: 1.42478450088439
Energy: 1.053069198753375
Energy: 1.05132242761255
Energy: 1.0530691987539376
Energy: 1.0513224276153625
Energy: 1.0530691987539376
Energy: 1.051322427613675
Energy: 1.0213473189978683
Energy: 1.0411040493454713
Energy: 1.0213473189973055
Energy: 1.0411040493454713
Energy: 1.0213473189973055
Energy: 1.0411040493454713
Energy: 1.0226015654715184
Energy: 1.3530239347706623
Energy: 1.0226015654715184
Energy: 1.3530239347706623
Energy: 1.0226015654715184
Energy: 1.3530239347706623
Energy: 1.131532077175622
Energy: 1.385277571453383
Energy: 1.1315320771773099
Energy: 1.385277571453383
Energy: 1.1315320771739346
Energy: 1.385277571453383
Energy: 1.5289691691870873
Energy: 0.9785584578265801
Energy: 1.5289691691870873
Energy: 0.9785584578265801
Energy: 1.5289691691859622
Energy: 0.9785584578265801
Energy: 1.0070370095146646
Energy: 1.2117607690715535
Energy: 1.0070370095146646
Energy: 1.2117607690709908
Energy: 1.0070370095141021
Energy: 1.2117607690709908
Energy: 1.0547721533816803
Energy: 1.0651600374385732
Energy: 1.0547721533816803
Energy: 1.0651600374385732
Energy: 1.0547721533816803
Energy: 1.0651600374380106
Energy: 0.9880621896097744
Energy: 1.2409557282179566
Energy: 0.9880621896092119
Energy: 1.240955728217394
Energy: 0.9880621896097744
Energy: 1.240955728217394

minimum gb energy = 0.9785584578265801 eV
minimum distance =  2.34105922752427 Angstroms
sigma value = 33


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

Energy: 1.1954069557187363
Energy: 1.1190347765301742
Energy: 1.1954069557199567
Energy: 1.1190347765297435
Energy: 1.1954069557207463
Energy: 1.1190347765293847
Energy: 1.2337886664446462
Energy: 1.0588737519378568
Energy: 1.2337886664434978
Energy: 1.058873751937426
Energy: 1.2337886664446462
Energy: 1.058873751937426
Energy: 1.1513657701018354
Energy: 1.2976508227764316
Energy: 1.1513657700998257
Energy: 1.2976508227799488
Energy: 1.151365770101405
Energy: 1.2976508227791594
Energy: 1.1454875854570676
Energy: 1.0755218588565794
Energy: 1.1454875854567086
Energy: 1.0755218588562203
Energy: 1.145487585455919
Energy: 1.0755218588565794
Energy: 1.1079017964268627
Energy: 1.0780614530167887
Energy: 1.1079017964276523
Energy: 1.0780614530278432
Energy: 1.1079017964272218
Energy: 1.0780614530175783
Energy: 1.4550004381622303
Energy: 1.1073345197081124
Energy: 1.45500043816302
Energy: 1.1073345197081124
Energy: 1.4550004381622303
Energy: 1.1073345197084712
Energy: 1.1265964488227842
Energy: 1.2481959596594667
Energy: 1.1265964488224254
Energy: 1.2481959596542984
Energy: 1.1265964488219946
Energy: 1.2481959596547292
Energy: 1.1804081272299107
Energy: 1.2146590814339486
Energy: 1.18040812723149
Energy: 1.2146590814339486
Energy: 1.180408127231131
Energy: 1.2146590814343077
Energy: 1.140271756886316
Energy: 1.1221154208947355
Energy: 1.140271756888326
Energy: 1.1221154208943764
Energy: 1.1402717568823681
Energy: 1.1221154208947355
Energy: 1.5092773053060051
Energy: 1.0977754030776423
Energy: 1.5092773053067947
Energy: 1.0977754030776423
Energy: 1.5092773053067947
Energy: 1.0977754030780011
Energy: 1.1792056679414684
Energy: 1.1801971857677873
Energy: 1.1792056679406788
Energy: 1.1801971857677873
Energy: 1.1792056679410379
Energy: 1.1801971857674285
Energy: 1.6950165811860005
Energy: 1.0751925918045013
Energy: 1.6950165811860005
Energy: 1.0751925918037117
Energy: 1.6950165811856417
Energy: 1.0751925918048604
Energy: 1.1283562765986161
Energy: 1.2152526744341163
Energy: 1.1283562765974675
Energy: 1.215252674434906
Energy: 1.1283562765974675
Energy: 1.2152526744273688
Energy: 1.2250430305924918
Energy: 1.182236488384599
Energy: 1.2250430305920612
Energy: 1.1822364883850298
Energy: 1.2250430305924918
Energy: 1.1822364883850298
Energy: 1.2140461671661076
Energy: 1.1271135094522144
Energy: 1.2140461671664662
Energy: 1.1271135094514249
Energy: 1.214046167166897
Energy: 1.127113509451066
Energy: 1.1325740223184704
Energy: 1.4570856442939104
Energy: 1.1325740223181116
Energy: 1.4570856442939104
Energy: 1.1325740223184704
Energy: 1.4570856442967097
Energy: 1.6826836573724653
Energy: 1.103365182900112
Energy: 1.682683657374045
Energy: 1.103365182900112
Energy: 1.682683657373255
Energy: 1.103365182900112
Energy: 1.0711188471503763
Energy: 1.1491923422740427
Energy: 1.0711188471503763
Energy: 1.149192342273253
Energy: 1.0711188471500175
Energy: 1.1491923422736119
Energy: 1.5068593754728847
Energy: 1.4609233907031276
Energy: 1.506859375472526
Energy: 1.4609233907034864
Energy: 1.5068593754720954
Energy: 1.4609233907031276
Energy: 1.677375351805411
Energy: 1.12610716503909
Energy: 1.6773753518057701
Energy: 1.1261071650394487
Energy: 1.6773753518057701
Energy: 1.1261071650398795
Energy: 1.1151633542875057
Energy: 1.1959452701679516
Energy: 1.1151633542875057
Energy: 1.1959452701679516
Energy: 1.115163354286357
Energy: 1.1959452701679516
Energy: 1.0559610235787833
Energy: 1.2388813740926
Energy: 1.055961023579214
Energy: 1.238881374091021
Energy: 1.055961023579214
Energy: 1.238881374091021
Energy: 1.2148493599447898
Energy: 1.3893275070980389
Energy: 1.2148493599471586
Energy: 1.3893275070984696
Energy: 1.2148493599534755
Energy: 1.3893275070984696
Energy: 1.1044611659173076
Energy: 1.43665186257709
Energy: 1.1044611659176666
Energy: 1.4366518625774491
Energy: 1.1044611659173076
Energy: 1.43665186257709
Energy: 1.0745689105788458
Energy: 1.1035922548450399
Energy: 1.0745689105307519
Energy: 1.1035922548446808
Energy: 1.0745689105161083
Energy: 1.1035922548446808
Energy: 1.1065794788155565
Energy: 1.4539332402107918
Energy: 1.106579478814767
Energy: 1.453933240210002
Energy: 1.106579478815198
Energy: 1.4539332402107918
Energy: 1.234659429817067
Energy: 1.129572622189738
Energy: 1.2346594298167077
Energy: 1.129572622189307
Energy: 1.2346594298174973
Energy: 1.129572622189738
Energy: 1.1904332923237642
Energy: 1.0820758822681076
Energy: 1.190433292324123
Energy: 1.0820758822676768
Energy: 1.1904332923229743
Energy: 1.0820758822696868
Energy: 1.1237040586782274
Energy: 1.2150697305773008
Energy: 1.1237040586785865
Energy: 1.2150697305919447
Energy: 1.1237040586785865
Energy: 1.2150697305856275
Energy: 1.0908432689875012
Energy: 1.5073708353603714
Energy: 1.0908432689875012
Energy: 1.5073708353603714
Energy: 1.0908432689875012
Energy: 1.5073708353603714
Energy: 1.1465441815846187
Energy: 1.070546520206523
Energy: 1.1465441815849777
Energy: 1.070546520206164
Energy: 1.1465441815857673
Energy: 1.070546520206164
Energy: 1.1043288471192063
Energy: 1.69711579048615
Energy: 1.104328847119637
Energy: 1.6971157904853602
Energy: 1.1043288471188475
Energy: 1.6971157904853602
Energy: 1.6787296569410302
Energy: 1.130733441355699
Energy: 1.6787296569402408
Energy: 1.130733441355699
Energy: 1.678729656939451
Energy: 1.1307334413561296
Energy: 1.1786701637333903
Energy: 1.2166127773447255
Energy: 1.178670163733821
Energy: 1.2166127773447255
Energy: 1.178670163733821
Energy: 1.2166127773447255
Energy: 1.178447373851987
Energy: 1.2166608173254123
Energy: 1.1784473738508385
Energy: 1.2166608173257711
Energy: 1.1784473738511974
Energy: 1.2166608173257711
Energy: 1.6783588281535344
Energy: 1.130720310578171
Energy: 1.6783588281538935
Energy: 1.130720310578171
Energy: 1.6783588281535344
Energy: 1.130720310578171
Energy: 1.1044344020811736
Energy: 1.6970513154293505
Energy: 1.1044344020811736
Energy: 1.6970513154293505
Energy: 1.1044344020807428
Energy: 1.6970513154293505
Energy: 1.1469892787100586
Energy: 1.0708110661137444
Energy: 1.1469892787104892
Energy: 1.0708110661137444
Energy: 1.1469892787104892
Energy: 1.0708110661129548
Energy: 1.0907819534087961
Energy: 1.5071374594475455
Energy: 1.0907819534080068
Energy: 1.5071374594475455
Energy: 1.0907819534087961
Energy: 1.5071374594467557
Energy: 1.12377383843871
Energy: 1.2182711471070293
Energy: 1.1237738384383509
Energy: 1.2182711470809726
Energy: 1.12377383843871
Energy: 1.2182711470790344
Energy: 1.190389000936759
Energy: 1.072730871324008
Energy: 1.1903890009348208
Energy: 1.0727308713228594
Energy: 1.1903890009363285
Energy: 1.072730871323649
Energy: 1.234890378035995
Energy: 1.1294856382827332
Energy: 1.2348903780380047
Energy: 1.1294856382823022
Energy: 1.2348903780383635
Energy: 1.1294856382823022
Energy: 1.1064016559529022
Energy: 1.4540126501733943
Energy: 1.1064016559524712
Energy: 1.4540126501749737
Energy: 1.1064016559521126
Energy: 1.4540126501753325
Energy: 1.0740625395771564
Energy: 1.103539086030309
Energy: 1.0740625395783048
Energy: 1.1035390860314573
Energy: 1.0740625395790944
Energy: 1.1035390860314573
Energy: 1.104515273139425
Energy: 1.4367515324144506
Energy: 1.104515273139425
Energy: 1.4367515324140196
Energy: 1.104515273139425
Energy: 1.4367515324140196
Energy: 1.215007198040473
Energy: 1.3893641617592665
Energy: 1.2150071980368842
Energy: 1.3893641617592665
Energy: 1.2150071980396835
Energy: 1.3893641617592665
Energy: 1.0562496049373598
Energy: 1.2382036918929862
Energy: 1.0562496049370007
Energy: 1.2382036918937758
Energy: 1.0562496049370007
Energy: 1.2382036918937758

minimum gb energy = 1.0559610235787833 eV
minimum distance =  2.3225893533463 Angstroms
sigma value = 67


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

Energy: 1.1841330965079127
Energy: 1.1175784492307856
Energy: 1.1841330965079127
Energy: 1.1175784492307856
Energy: 1.1841330965079127
Energy: 1.1175784492307856
Energy: 1.104757865723901
Energy: 1.0850239914344055
Energy: 1.104757865723901
Energy: 1.0850239914344055
Energy: 1.1047578657265393
Energy: 1.0850239914344055
Energy: 1.684067377997711
Energy: 1.4351967536071297
Energy: 1.6840673780003494
Energy: 1.4351967536071297
Energy: 1.684067377997711
Energy: 1.4351967536071297
Energy: 1.1047973472543888
Energy: 1.0850288169194962
Energy: 1.1047973472543888
Energy: 1.0850288169194962
Energy: 1.1047973472543888
Energy: 1.0850288169194962
Energy: 1.1841330965079127
Energy: 1.1175784492307856
Energy: 1.1841330965079127
Energy: 1.1175784492307856
Energy: 1.1841330965079127
Energy: 1.1175784492307856
Energy: 1.104757865723901
Energy: 1.0850239914344055
Energy: 1.104757865723901
Energy: 1.0850239914344055
Energy: 1.104757865723901
Energy: 1.0850239914344055
Energy: 1.0599635330048875
Energy: 1.4351967536071297
Energy: 1.0592102427513441
Energy: 1.4351967536071297
Energy: 1.4292674889445782
Energy: 1.4351967536071297

minimum gb energy = 1.0592102427513441 eV
minimum distance =  2.34060585894733 Angstroms
sigma value = 3


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

Energy: 1.6822047952576222
Energy: 1.2683842316568759
Energy: 1.6822047952576222
Energy: 1.2683842316568759
Energy: 1.6822047952576222
Energy: 1.2683842316568759
Energy: 1.3919360181172966
Energy: 1.2371608058624275
Energy: 1.3919360181172966
Energy: 1.2371608058624275
Energy: 1.3919360181172966
Energy: 1.2371608058624275
Energy: 1.2766752320865502
Energy: 1.6068362062094645
Energy: 1.2766752320865502
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Energy: 1.3733617038487567
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Energy: 1.3687075003989904
Energy: 1.377750920174496
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Energy: 1.43029829223601
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Energy: 1.2810842355843566
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Energy: 1.5188341244134433
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Energy: 1.1885503339273409
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Energy: 1.3266211879665242
Energy: 1.3656027675320859
Energy: 1.3266211879665242
Energy: 1.4350990527576581
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Energy: 1.2702730942043856
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Energy: 1.4664870011652653
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Energy: 1.4210529142808312
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Energy: 1.4210529142772406
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Energy: 1.4168970473449178
Energy: 1.341853389026919
Energy: 1.4168970473700524
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Energy: 1.4168970473772338
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Energy: 1.4474188070043754
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Energy: 1.4474188070079659
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Energy: 1.3730268333959539
Energy: 1.636247649348863
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Energy: 1.194728040096549
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Energy: 1.194728040096549
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Energy: 1.621510930309741
Energy: 1.262708235216841
Energy: 1.621510930313332
Energy: 1.262708235216841
Energy: 1.621510930313332
Energy: 1.262708235216841
Energy: 1.2345036935182907
Energy: 1.5562026124561728
Energy: 1.2345036935147
Energy: 1.556202612452582
Energy: 1.2345036935147
Energy: 1.5562026124561728
Energy: 1.360447106231767
Energy: 1.6361760914985846
Energy: 1.360447106231767
Energy: 1.6361760914985846
Energy: 1.360447106231767
Energy: 1.6361760914985846
Energy: 1.26380185037689
Energy: 1.4004304036978246
Energy: 1.26380185037689
Energy: 1.400430403694234
Energy: 1.26380185037689
Energy: 1.4004304036978246
Energy: 1.7119290154118896
Energy: 1.191203599614506
Energy: 1.7119290154118896
Energy: 1.1912035996109154
Energy: 1.7119290154118896
Energy: 1.1912035996109154
Energy: 1.244360473035234
Energy: 1.668153541819839
Energy: 1.244360473035234
Energy: 1.668153541819839
Energy: 1.244360473035234
Energy: 1.668153541819839
Energy: 1.505502776186994
Energy: 1.235659637749809
Energy: 1.505502776186994
Energy: 1.235659637749809
Energy: 1.505502776186994
Energy: 1.235659637749809
Energy: 1.625876768765802
Energy: 1.3186094069784902
Energy: 1.625876768765802
Energy: 1.3186094069748993
Energy: 1.6258767687693927
Energy: 1.3186094069748993
Energy: 1.6341279312649843
Energy: 1.2654951547249227
Energy: 1.634127931268575
Energy: 1.2654951547249227
Energy: 1.634127931268575
Energy: 1.2654951547249227
Energy: 1.328405921075607
Energy: 1.3956400188243248
Energy: 1.3284059210791979
Energy: 1.395640018820734
Energy: 1.3284059210791979
Energy: 1.3956400188243248
Energy: 1.32188377434487
Energy: 1.244314443615329
Energy: 1.32188377434487
Energy: 1.2443144436117384
Energy: 1.32188377434487
Energy: 1.244314443615329
Energy: 1.2638272089276448
Energy: 1.429782638677516
Energy: 1.2638272089276448
Energy: 1.4297826386811068
Energy: 1.2638272089276448
Energy: 1.4297826386811068
Energy: 1.471703831246912
Energy: 1.401633977043776
Energy: 1.471703831246912
Energy: 1.4016339770401853
Energy: 1.4717038312505026
Energy: 1.4016339770401853
Energy: 1.3611826201356
Energy: 1.4632010788638419
Energy: 1.3611826201391906
Energy: 1.4632010788638419
Energy: 1.3611826201391906
Energy: 1.4632010788638419

minimum gb energy = 1.1885503339273409 eV
minimum distance =  2.27582873618247 Angstroms
sigma value = 81


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

Energy: 1.321200301291662
Energy: 1.2860333530803616
Energy: 1.3212003012901836
Energy: 1.2860333530803616
Energy: 1.321200301291662
Energy: 1.2860333530808545
Energy: 1.1950641082513742
Energy: 1.2981814284003728
Energy: 1.1950641082523599
Energy: 1.2981814284003728
Energy: 1.1950641082518672
Energy: 1.2981814284003728
Energy: 1.5678542200307095
Energy: 1.5961487717947904
Energy: 1.5678542200307095
Energy: 1.5961487717952831
Energy: 1.5678542200307095
Energy: 1.5961487717942975
Energy: 1.273803326229461
Energy: 1.4046647953442821
Energy: 1.2738033262304467
Energy: 1.4046647953437894
Energy: 1.273803326229461
Energy: 1.4046647953452678
Energy: 1.2655876615094854
Energy: 1.1955507174334723
Energy: 1.2655876615094854
Energy: 1.1955507174334723
Energy: 1.2655876615099784
Energy: 1.195550717433965
Energy: 1.1947549271657585
Energy: 1.1921800485308227
Energy: 1.1947549271662512
Energy: 1.1921800485308227
Energy: 1.1947549271657585
Energy: 1.1921800485313157
Energy: 1.1718505807743547
Energy: 1.1924679980000672
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Energy: 1.1924679980010529
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Energy: 1.1922607308740565
Energy: 1.1950751975751044
Energy: 1.1950962504486156
Energy: 1.2840232683282826
Energy: 1.1950962504491085
Energy: 1.28402326832779
Energy: 1.1950962504481228
Energy: 1.28402326832779
Energy: 1.4042373128213552
Energy: 1.5976372198083668
Energy: 1.4042373128213552
Energy: 1.597637219807874
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Energy: 1.5976372198083668
Energy: 1.5978336413388758
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Energy: 1.5978336413403542
Energy: 1.171303432802179
Energy: 1.5978336413393686
Energy: 1.171303432802179
Energy: 1.2669196526429831
Energy: 1.1951018536197398
Energy: 1.2669196526429831
Energy: 1.1951018536197398
Energy: 1.2669196526444615
Energy: 1.1951018536197398
Energy: 1.2887614663818432
Energy: 1.192022478488122
Energy: 1.2887614663813505
Energy: 1.1920224784886149
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Energy: 1.1920224784876292
Energy: 1.1685807772518773
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Energy: 1.1685807772518773
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Energy: 1.1945064069261726
Energy: 1.572079859620924
Energy: 1.1945064069256799
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Energy: 1.1945064069261726
Energy: 1.572079859620924
Energy: 1.4025931563289051
Energy: 1.4690657882509446
Energy: 1.4025931563284124
Energy: 1.4690657882514373
Energy: 1.402593156330384
Energy: 1.4690657882504516
Energy: 1.1957209274704261
Energy: 1.283787651371065
Energy: 1.1957209274699334
Energy: 1.283787651371065
Energy: 1.1957209274699334
Energy: 1.283787651371065
Energy: 1.1917462371421028
Energy: 1.174802393146426
Energy: 1.1917462371421028
Energy: 1.174802393146426
Energy: 1.1917462371425955
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Energy: 1.1917658003212097
Energy: 1.1748498835595815
Energy: 1.1917658003212097
Energy: 1.1748498835590886
Energy: 1.191765800320717
Energy: 1.1748498835595815
Energy: 1.1957860880015008
Energy: 1.2837939114624382
Energy: 1.1957860880015008
Energy: 1.2837939114624382
Energy: 1.1957860880005153
Energy: 1.2837939114624382
Energy: 1.402702266446354
Energy: 1.4689734902826503
Energy: 1.4027022664448756
Energy: 1.4689734902826503
Energy: 1.4027022664458613
Energy: 1.4689734902816647
Energy: 1.1943287450814424
Energy: 1.572065187796036
Energy: 1.194328745081935
Energy: 1.5720651877965288
Energy: 1.194328745081935
Energy: 1.572065187796036
Energy: 1.168730432193992
Energy: 1.273826672833067
Energy: 1.168730432193992
Energy: 1.273826672832574
Energy: 1.1687304321949776
Energy: 1.273826672833067
Energy: 1.2972298292396263
Energy: 1.191903533875357
Energy: 1.2972298292391335
Energy: 1.1919035338748643
Energy: 1.2972298292391335
Energy: 1.191903533875357
Energy: 1.2670289637631158
Energy: 1.1951297050727463
Energy: 1.2670289637636087
Energy: 1.1951297050727463
Energy: 1.2670289637636087
Energy: 1.195129705073239
Energy: 1.5978377977076654
Energy: 1.1714422571595757
Energy: 1.5978377977071725
Energy: 1.171442257159083
Energy: 1.5978377977071725
Energy: 1.1714422571595757
Energy: 1.4041893818111737
Energy: 1.5966039789269684
Energy: 1.404189381810188
Energy: 1.5966039789264754
Energy: 1.4041893818106808
Energy: 1.5966039789269684
Energy: 1.1951339203975289
Energy: 1.2840285957018869
Energy: 1.1951339203975289
Energy: 1.2840285957018869
Energy: 1.1951339203980218
Energy: 1.2840285957023798
Energy: 1.1921120647437649
Energy: 1.1951037983909267
Energy: 1.1921120647437649
Energy: 1.1951037983909267
Energy: 1.1921120647442576
Energy: 1.1951037983909267
Energy: 1.1945638166232142
Energy: 1.1698762507215448
Energy: 1.1945638166241996
Energy: 1.1698762507215448
Energy: 1.194563816623707
Energy: 1.1698762507220375
Energy: 1.3457870178701383
Energy: 1.7834619971725925
Energy: 1.3457870178701383
Energy: 1.7834619971725925
Energy: 1.3457870178701383
Energy: 1.7834619971725925
Energy: 1.466172710100397
Energy: 1.402347171615685
Energy: 1.466172710100397
Energy: 1.402347171615685
Energy: 1.466172710099904
Energy: 1.402347171616178
Energy: 1.2668573394300637
Energy: 1.1974653244800395
Energy: 1.2668573394300637
Energy: 1.1974653244795468
Energy: 1.2668573394305565
Energy: 1.1974653244805324
Energy: 1.1719038077198725
Energy: 1.192300002872905
Energy: 1.1719038077203654
Energy: 1.1923000028719193
Energy: 1.1719038077203654
Energy: 1.1923000028724122

minimum gb energy = 1.1685807772518773 eV
minimum distance =  2.37303702491525 Angstroms
sigma value = 43


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

Energy: 1.5389557586729918
Energy: 1.2915924802351912
Energy: 1.5389557586729918
Energy: 1.291592480234586
Energy: 1.5389557586729918
Energy: 1.291592480234586
Energy: 1.4269046524096067
Energy: 1.2249759959481483
Energy: 1.4269046524090017
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Energy: 1.4269046524096067
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Energy: 1.4605511884645364
Energy: 1.5912951439981617
Energy: 1.381648989160892
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Energy: 1.4605511884645364
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Energy: 1.5168518375028948
Energy: 1.2765370045229794
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Energy: 1.2765370045235847
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Energy: 1.2765370045235847
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Energy: 1.3159707678960102
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Energy: 1.338883123107249
Energy: 1.3159707678960102
Energy: 1.3815994796751423
Energy: 1.3127953589723576
Energy: 1.3815994796745368
Energy: 1.3127953589729628
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Energy: 1.4726950832334995
Energy: 1.3954646899301617
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Energy: 1.3954646899289511
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Energy: 1.373871412085664
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Energy: 1.373871412085664
Energy: 1.2697751781636821
Energy: 1.373871412085664
Energy: 1.4358262853315527
Energy: 1.3976060371180883
Energy: 1.435826285330342
Energy: 1.3976060371180883
Energy: 1.4358262853309471
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Energy: 1.504329164308252
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Energy: 1.504329164308252
Energy: 1.5804003298391593
Energy: 1.3207150213536283
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Energy: 1.5804003298385538
Energy: 1.320715021358471
Energy: 1.2695562002222613
Energy: 1.337102690833982
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Energy: 1.3371026913839805
Energy: 1.2695562002222613
Energy: 1.3371026908981196
Energy: 1.3752070347157759
Energy: 1.3126984252781058
Energy: 1.3752070347157759
Energy: 1.3126984252781058
Energy: 1.3752070347151704
Energy: 1.3126984252781058
Energy: 1.2028666278300455
Energy: 1.5338557241442698
Energy: 1.2028666278288347
Energy: 1.533855724144875
Energy: 1.20286662782944
Energy: 1.533855724144875
Energy: 1.4512262300161725
Energy: 1.3205454486575325
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Energy: 1.320545448656927
Energy: 1.4512262300161725
Energy: 1.3205454486575325
Energy: 1.4726240480311696
Energy: 1.3758716077672106
Energy: 1.4726240480311696
Energy: 1.3758716077666053
Energy: 1.4726240480311696
Energy: 1.3758716077666053
Energy: 1.388689139149583
Energy: 1.2261930140237285
Energy: 1.3886891391507938
Energy: 1.2261930140231234
Energy: 1.3886891391501885
Energy: 1.2261930140231234
Energy: 1.503789166756514
Energy: 1.2962013353914337
Energy: 1.5037891667559087
Energy: 1.2962013353908284
Energy: 1.5037891667559087
Energy: 1.2962013353908284
Energy: 1.4571091342051528
Energy: 1.4098121989435293
Energy: 1.457109134205758
Energy: 1.4098121989435293
Energy: 1.457109134205758
Energy: 1.4098121989435293
Energy: 1.3885965742094575
Energy: 1.4244638356112993
Energy: 1.3885965742088524
Energy: 1.4244638356112993
Energy: 1.3885965742088524
Energy: 1.4244638356112993
Energy: 1.2965173147846605
Energy: 1.421259038629905
Energy: 1.29651731478345
Energy: 1.421259038629905
Energy: 1.2965173147840552
Energy: 1.4212590386292996
Energy: 1.4637023620069025
Energy: 1.352242480756961
Energy: 1.4637023620069025
Energy: 1.352242480756961
Energy: 1.4637023620075078
Energy: 1.352242480756961
Energy: 1.2032599260496972
Energy: 1.4517371903731149
Energy: 1.2032599260496972
Energy: 1.4517371903737204
Energy: 1.2032599260503025
Energy: 1.4517371903737204
Energy: 1.3797415481270474
Energy: 1.4865674435327796
Energy: 1.3797415481270474
Energy: 1.4865674435327796
Energy: 1.3797415481270474
Energy: 1.4865674435327796
Energy: 1.269403030723918
Energy: 1.2720757905625981
Energy: 1.2694030307245234
Energy: 1.2720757905625981
Energy: 1.269403030723918
Energy: 1.2720757905625981
Energy: 1.54416878830111
Energy: 1.3688605936212226
Energy: 1.54416878830111
Energy: 1.3688605936212226
Energy: 1.54416878830111
Energy: 1.3688605936212226
Energy: 1.2690623487995303
Energy: 1.4302917013115424
Energy: 1.269062348798925
Energy: 1.4302917013109369
Energy: 1.269062348798925
Energy: 1.4302917013115424
Energy: 1.4352467832058882
Energy: 1.320476110026647
Energy: 1.4352467832058882
Energy: 1.320476110026647
Energy: 1.4352467832058882
Energy: 1.320476110026647
Energy: 1.2693300659175277
Energy: 1.3729478772287327
Energy: 1.269330065918133
Energy: 1.3729478772287327
Energy: 1.2693300659175277
Energy: 1.3729478772287327
Energy: 1.3579077678461344
Energy: 1.3897733643847465
Energy: 1.3579077678443185
Energy: 1.3897733643847465
Energy: 1.3579077678461344
Energy: 1.389773364385352
Energy: 1.4003752919855275
Energy: 1.312739842494355
Energy: 1.4003752919855275
Energy: 1.3127398424949601
Energy: 1.4003752919849222
Energy: 1.312739842494355

minimum gb energy = 1.2028666278288347 eV
minimum distance =  2.31637778693607 Angstroms
sigma value = 57


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

Energy: 1.462466708008407
Energy: 1.2920538486661692
Energy: 1.3787380628606132
Energy: 1.2920538486677366
Energy: 1.4624667080091907
Energy: 1.2920538486669528
Energy: 1.4067446323991182
Energy: 1.2359865281532298
Energy: 1.4067446323991182
Energy: 1.2359865281540137
Energy: 1.4067446323991182
Energy: 1.2359865281540137
Energy: 1.4939767141284677
Energy: 1.4567401234211914
Energy: 1.4353223404091588
Energy: 1.456740123421975
Energy: 1.4939767141284677
Energy: 1.4567401234211914
Energy: 1.679017599560509
Energy: 1.4082030309707396
Energy: 1.6790175995589411
Energy: 1.4082030309723073
Energy: 1.6790175995597254
Energy: 1.4082030309707396
Energy: 1.7046424272823926
Energy: 1.3263620931164308
Energy: 1.704642427281609
Energy: 1.3263620931179982
Energy: 1.7046424272831764
Energy: 1.3263620931179982
Energy: 1.4846843650676766
Energy: 1.235650228002993
Energy: 1.4846843650684607
Energy: 1.2356502280061286
Energy: 1.4846843650676766
Energy: 1.2356502280037769
Energy: 1.4504515095021122
Energy: 1.4946501522325508
Energy: 1.4504515095036798
Energy: 1.4946501522317672
Energy: 1.4504515095044634
Energy: 1.4946501522317672
Energy: 1.3797225106326405
Energy: 1.2932499212541413
Energy: 1.3797225106310729
Energy: 1.293249921254925
Energy: 1.379722510630289
Energy: 1.293249921254925
Energy: 1.4569728576758887
Energy: 1.2387200856151195
Energy: 1.4569728576758887
Energy: 1.2387200856143357
Energy: 1.4569728576766725
Energy: 1.2387200856151195
Energy: 1.2280810836638758
Energy: 1.3064117882574608
Energy: 1.2280823189462275
Energy: 1.3064117882590285
Energy: 1.2280810836638758
Energy: 1.3064117882590285
Energy: 1.3549487559530953
Energy: 1.4095125876094672
Energy: 1.354948755953879
Energy: 1.409512587610251
Energy: 1.3549487559546631
Energy: 1.409512587610251
Energy: 1.5902552795389295
Energy: 1.5157517940960268
Energy: 1.5902552795397134
Energy: 1.5157517940968106
Energy: 1.5902552795389295
Energy: 1.5157517940968106
Energy: 1.407777520645
Energy: 1.238657369725391
Energy: 1.407777520645
Energy: 1.238657369725391
Energy: 1.4077775206457837
Energy: 1.238657369725391
Energy: 1.4475689636291023
Energy: 1.2446737578599238
Energy: 1.4598343581359565
Energy: 1.2446737578583564
Energy: 1.4475689636283187
Energy: 1.2446737578583564
Energy: 1.4496525718604993
Energy: 1.4008381509014258
Energy: 1.3429077719175504
Energy: 1.4008381509014258
Energy: 1.4496525718597157
Energy: 1.4008381509014258
Energy: 1.4277402422440357
Energy: 1.348551249574124
Energy: 1.4277402422456034
Energy: 1.348551249574124
Energy: 1.4277402422440357
Energy: 1.3485512495733403
Energy: 1.2276284285704182
Energy: 1.3020114154430544
Energy: 1.2276880242885122
Energy: 1.3020114154430544
Energy: 1.2276284285696344
Energy: 1.3020114154430544
Energy: 1.3520322489991548
Energy: 1.1630899870781184
Energy: 1.3520322489983707
Energy: 1.1630899870781184
Energy: 1.3520322489983707
Energy: 1.1630899870781184
Energy: 1.2275871474405724
Energy: 1.302022075988938
Energy: 1.2275871474397888
Energy: 1.3020220759881547
Energy: 1.2275871474397888
Energy: 1.3020220759881547
Energy: 1.4938392955273925
Energy: 1.3484388184240403
Energy: 1.4938392955266089
Energy: 1.3484388184232565
Energy: 1.4938392955266089
Energy: 1.3484388184232565
Energy: 1.3424911720937531
Energy: 1.242008909390281
Energy: 1.342491172094537
Energy: 1.242008909390281
Energy: 1.3424911720929695
Energy: 1.242008909390281
Energy: 1.4598496019538298
Energy: 1.4583125303435835
Energy: 1.4598496019546137
Energy: 1.458312530342016
Energy: 1.4598496019553973
Energy: 1.458312530342016
Energy: 1.491851202855245
Energy: 1.235386115114533
Energy: 1.4921797350717674
Energy: 1.235386115114533
Energy: 1.491851202855245
Energy: 1.2353861151137493
Energy: 1.570396053180067
Energy: 1.4656174762784073
Energy: 1.5704040295028385
Energy: 1.4656174762776237
Energy: 1.570396053180067
Energy: 1.4656174762776237

minimum gb energy = 1.1630899870781184 eV
minimum distance =  2.27131116223719 Angstroms
sigma value = 17


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

Energy: 1.6470771788181624
Energy: 1.1809155513547962
Energy: 1.6470771788181624
Energy: 1.1809155513536875
Energy: 1.6470771788181624
Energy: 1.1809155513547962
Energy: 1.32073432241672
Energy: 1.274600427847909
Energy: 1.32073432241672
Energy: 1.274600427847909
Energy: 1.32073432241672
Energy: 1.274600427847909
Energy: 1.347149034255088
Energy: 1.3213411583002794
Energy: 1.347149034255088
Energy: 1.3213411583013877
Energy: 1.347149034255088
Energy: 1.3213411583002794
Energy: 1.3162280457267541
Energy: 1.2839251706990389
Energy: 1.3162280457267541
Energy: 1.2839251706979302
Energy: 1.3162280457267541
Energy: 1.2839251706990389
Energy: 1.2984501981560244
Energy: 1.4715851971412504
Energy: 1.2984501981560244
Energy: 1.4715851971412504
Energy: 1.2984501981560244
Energy: 1.4715851971412504
Energy: 1.2082257168893258
Energy: 1.282571386988936
Energy: 1.2082257168893258
Energy: 1.282571386988936
Energy: 1.2082257168893258
Energy: 1.282571386988936
Energy: 1.2774075676096677
Energy: 1.3301174172809551
Energy: 1.2774075676107761
Energy: 1.3301174172820636
Energy: 1.2774075676107761
Energy: 1.3301174172809551
Energy: 1.3165203221168547
Energy: 1.3047023275194531
Energy: 1.3165203221179629
Energy: 1.3047023275194531
Energy: 1.3165203221168547
Energy: 1.3047023275194531
Energy: 1.2447835755825882
Energy: 1.125466799592756
Energy: 1.2447835755825882
Energy: 1.125466799592756
Energy: 1.2447835755825882
Energy: 1.125466799592756
Energy: 1.1824378099009547
Energy: 1.2583809578236833
Energy: 1.1824378098976294
Energy: 1.258380957822575
Energy: 1.1824378098976294
Energy: 1.2583809578236833
Energy: 1.2017381964066565
Energy: 1.2934274439451008
Energy: 1.2017381964066565
Energy: 1.293427443946209
Energy: 1.2017381964066565
Energy: 1.2934274439451008
Energy: 1.2623186797646546
Energy: 1.2556612742366464
Energy: 1.2623186797635464
Energy: 1.2556612742366464
Energy: 1.2623186797635464
Energy: 1.2556612742366464
Energy: 1.0693500177578226
Energy: 1.2824492903142282
Energy: 1.0693500177578226
Energy: 1.2824492903142282
Energy: 1.0693500177578226
Energy: 1.2824492903164448
Energy: 1.2018879234431965
Energy: 1.2827619713931466
Energy: 1.2018879234431965
Energy: 1.2827619713931466
Energy: 1.201887923442088
Energy: 1.2827619713931466
Energy: 1.2076502467041816
Energy: 1.4526775228909619
Energy: 1.2076502467052899
Energy: 1.4526775228909619
Energy: 1.2076502467041816
Energy: 1.4526775228909619
Energy: 1.2069856058148865
Energy: 1.4942830616062834
Energy: 1.2069856058148865
Energy: 1.494283061607392
Energy: 1.2069856058148865
Energy: 1.494283061605175
Energy: 1.199654857050389
Energy: 1.2826578977053784
Energy: 1.1996548570514975
Energy: 1.2826578977053784
Energy: 1.1996548570514975
Energy: 1.2826578977053784

minimum gb energy = 1.0693500177578226 eV
minimum distance =  2.31536480057125 Angstroms
sigma value = 17


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

Energy: 1.2372624034740627
Energy: 1.1053321938527578
Energy: 1.1959388155783965
Energy: 1.1053321938527578
Energy: 1.2372624034762028
Energy: 1.1053321938527578
Energy: 1.3234253845882198
Energy: 1.1565183022328434
Energy: 1.2778899147143032
Energy: 1.1565183022315595
Energy: 1.3234253845882198
Energy: 1.1565183022315595
Energy: 1.2687958341271897
Energy: 1.2509162094606885
Energy: 1.2568410393147815
Energy: 1.2509162094602606
Energy: 1.2687958341259056
Energy: 1.2509162094602606
Energy: 1.14993387094453
Energy: 1.166925885811678
Energy: 1.1585207156077149
Energy: 1.1669160693765535
Energy: 1.149933870944102
Energy: 1.166925885813818
Energy: 1.5143102587380861
Energy: 1.2430914173468313
Energy: 1.5143102587385142
Energy: 1.2430914173489716
Energy: 1.51431025873723
Energy: 1.2430914173489716
Energy: 1.2054266927349906
Energy: 1.1204636721455437
Energy: 1.2050071026174018
Energy: 1.1167780345003664
Energy: 1.2054266927345625
Energy: 1.1204636721455437
Energy: 1.080987108731163
Energy: 1.1264368546459067
Energy: 1.080987108730307
Energy: 1.1264368546450505
Energy: 1.080987108730307
Energy: 1.1264368546454786
Energy: 1.4327014656689725
Energy: 1.3479236479503949
Energy: 1.4327014656685442
Energy: 1.3479236479516792
Energy: 1.4327014656685442
Energy: 1.3479236479521073
Energy: 1.1210384362404076
Energy: 1.1342581901120279
Energy: 1.1210384362412638
Energy: 1.1342581901103157
Energy: 1.1210384362408359
Energy: 1.1342581901094597
Energy: 1.0824118973671795
Energy: 1.0144443459048498
Energy: 1.0824118973658954
Energy: 1.0144443459061336
Energy: 1.0824118973650392
Energy: 1.0144443459061336
Energy: 1.0344261852843326
Energy: 1.3161076096696778
Energy: 1.0344261852847607
Energy: 1.3161076096679656
Energy: 1.0344261852847607
Energy: 1.316107609668394
Energy: 1.2236612484618354
Energy: 1.29344301325237
Energy: 1.2236612484614073
Energy: 1.293443013251514
Energy: 1.2236612484592675
Energy: 1.293443013251942
Energy: 1.2948233047195983
Energy: 1.2789419711631735
Energy: 1.2948233047191702
Energy: 1.2789419711653138
Energy: 1.2948233047191702
Energy: 1.2789419711653138
Energy: 1.26627217383652
Energy: 1.2279412568152488
Energy: 1.266272173834808
Energy: 1.227941256815677
Energy: 1.2662721738343796
Energy: 1.227941256816105
Energy: 1.2300400766697408
Energy: 1.2907544752002458
Energy: 1.2300490193422113
Energy: 1.2907544751981055
Energy: 1.230031314243506
Energy: 1.2907544751985336
Energy: 1.1386689972420079
Energy: 1.2526061324084559
Energy: 1.1386260926232126
Energy: 1.2526061324084559
Energy: 1.1386689972420079
Energy: 1.2526061324084559
Energy: 1.101230166131509
Energy: 1.2129687734802639
Energy: 1.101230166130653
Energy: 1.212968773480692
Energy: 1.1012301661310806
Energy: 1.21296877348112
Energy: 1.1980603033297297
Energy: 1.3943258549041222
Energy: 1.1980603033301576
Energy: 1.3943258548994137
Energy: 1.1980603033288735
Energy: 1.3943258548994137
Energy: 1.1048867833434661
Energy: 1.5145177217917034
Energy: 1.1048867833417537
Energy: 1.5145177217908474
Energy: 1.10488678334261
Energy: 1.5145177217912753
Energy: 1.1000003733256618
Energy: 0.9843573036030634
Energy: 1.1000003733265178
Energy: 0.9843573036034915
Energy: 1.1000003733239496
Energy: 0.9843573036034915
Energy: 1.1471505275625993
Energy: 1.490901395606707
Energy: 1.1471505275617433
Energy: 1.4909013956071346
Energy: 1.1471505275617433
Energy: 1.4909013956071346
Energy: 1.145722097572188
Energy: 1.3943899803057245
Energy: 1.1457220975717601
Energy: 1.394389980308721
Energy: 1.1457220975700477
Energy: 1.394389980308721
Energy: 1.1010709478171927
Energy: 1.159225138483559
Energy: 1.1010709478176208
Energy: 1.1592251384822752
Energy: 1.101070947821901
Energy: 1.1592251384827028
Energy: 1.2423991294994337
Energy: 1.2056386936506331
Energy: 1.2423991294994337
Energy: 1.205638693651917
Energy: 1.2423991295002896
Energy: 1.2056386936514893
Energy: 1.1958024356833576
Energy: 1.2039642895013922
Energy: 1.1958024356837857
Energy: 1.2039642895035323
Energy: 1.1958024356850696
Energy: 1.2039642895043885
Energy: 1.2927072144113294
Energy: 1.238540639125429
Energy: 1.266228897460844
Energy: 1.2385406391241447
Energy: 1.292707214409617
Energy: 1.2385406391245728
Energy: 1.307257322754692
Energy: 1.2686967529402111
Energy: 1.2668538267739464
Energy: 1.2686967529397832
Energy: 1.3072573227568325
Energy: 1.2686967529402111
Energy: 1.2688137530499024
Energy: 1.3036668300376342
Energy: 1.2032192923203404
Energy: 1.3036668300372058
Energy: 1.2688137530494745
Energy: 1.3036668300376342
Energy: 1.0330807215086213
Energy: 1.3735915678992503
Energy: 1.033296012423892
Energy: 1.3735915679013908
Energy: 1.0330807215116173
Energy: 1.3735915679018187
Energy: 1.0824086359844118
Energy: 1.013663131716662
Energy: 1.0824086359861242
Energy: 1.0136631317132376
Energy: 1.0824086359891203
Energy: 1.0136631317132376
Energy: 1.1648831174721843
Energy: 1.1351856519278554
Energy: 1.1648831174730403
Energy: 1.1351856519295676
Energy: 1.1648831174743244
Energy: 1.1351856519295676
Energy: 1.3794769441888555
Energy: 1.4029367601227885
Energy: 1.3794769441892833
Energy: 1.4029367601223608
Energy: 1.3794769441909958
Energy: 1.4029367601223608
Energy: 1.0825556817289164
Energy: 1.0853318855360126
Energy: 1.0825556817263484
Energy: 1.0853318855355842
Energy: 1.0825556817276323
Energy: 1.0853318855360126
Energy: 1.1718586999516516
Energy: 1.048909780501345
Energy: 1.1718586999516516
Energy: 1.048909780499633
Energy: 1.1718586999555036
Energy: 1.048909780500061
Energy: 1.4917408830758228
Energy: 1.229776248424461
Energy: 1.491740883074539
Energy: 1.2297762484236048
Energy: 1.4917408830736827
Energy: 1.229776248424033
Energy: 1.243613948398984
Energy: 1.1484585672163103
Energy: 1.2436139483976998
Energy: 1.1484585672154541
Energy: 1.2436139483959876
Energy: 1.1484585672150263
Energy: 1.2215262509139049
Energy: 1.2377993273058208
Energy: 1.2215262509117648
Energy: 1.2377993273049648
Energy: 1.2215262509113367
Energy: 1.2377993273049648
Energy: 1.293466706713037
Energy: 1.0865049593635367
Energy: 1.293466706713037
Energy: 1.0865049593656377
Energy: 1.2934667067096126
Energy: 1.0865049593643925
Energy: 1.1959388155758286
Energy: 1.1053321938523297
Energy: 1.1959388155775408
Energy: 1.1053321938523297
Energy: 1.1959388155762565
Energy: 1.1053321938523297
Energy: 1.277889914711735
Energy: 1.2724255668543114
Energy: 1.2778899147125908
Energy: 1.2724255668543114
Energy: 1.2778899147130192
Energy: 1.2724255668543114
Energy: 1.267162039798326
Energy: 1.2510927958462459
Energy: 1.2671600706290276
Energy: 1.251092795850098
Energy: 1.2671620397991823
Energy: 1.2510927958496703
Energy: 1.1584876499829424
Energy: 1.2127492996808076
Energy: 1.1586377073534313
Energy: 1.2127492996816636
Energy: 1.1584876499829424
Energy: 1.2127492996820919
Energy: 1.514310258737658
Energy: 1.171626785690081
Energy: 1.51431025873723
Energy: 1.171626785686229
Energy: 1.514310258736374
Energy: 1.1716267856836606

minimum gb energy = 0.9843573036030634 eV
minimum distance =  2.20829859524295 Angstroms
sigma value = 57


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

Energy: 1.0972800937411091
Energy: 0.988631127608681
Energy: 1.097280093741806
Energy: 0.988631127608681
Energy: 1.0972800937431997
Energy: 0.988631127608681
Energy: 1.1346006710483407
Energy: 1.1311432576459106
Energy: 1.1346006710483407
Energy: 1.1311432576452136
Energy: 1.1346006710476435
Energy: 1.1311432576459106
Energy: 1.1443350714843694
Energy: 1.1310234568356141
Energy: 1.1443350714850664
Energy: 1.1310234568356141
Energy: 1.1443350714850664
Energy: 1.1310234568349173
Energy: 1.142990297167367
Energy: 1.0743093454140662
Energy: 1.1429902971680639
Energy: 1.0743093454147632
Energy: 1.142990297167367
Energy: 1.0743093454140662
Energy: 1.3291272730577686
Energy: 1.101163696023732
Energy: 1.3291272730577686
Energy: 1.101163696023732
Energy: 1.3291272730577686
Energy: 1.1011636960223383
Energy: 1.0718399872303561
Energy: 0.9741728097276897
Energy: 1.0718399872303561
Energy: 0.9741728097276897
Energy: 1.0718399872303561
Energy: 0.9741728097276897
Energy: 1.306043645785377
Energy: 1.0429909256453065
Energy: 1.3060436457881648
Energy: 1.0429909256467005
Energy: 1.3060436457895586
Energy: 1.0429909256453065
Energy: 1.2572424576673327
Energy: 1.2608950124350229
Energy: 1.2572424576673327
Energy: 1.2608950124357197
Energy: 1.2572424576673327
Energy: 1.2608950124357197
Energy: 0.9911403474017152
Energy: 0.9764211039085662
Energy: 0.9911403474017152
Energy: 0.9764211039092633
Energy: 0.9911403474010184
Energy: 0.9764211039092633
Energy: 1.1223511958693917
Energy: 1.0072431879881147
Energy: 1.1223511958707857
Energy: 1.0072431879881147
Energy: 1.122351195867998
Energy: 1.0072431879881147
Energy: 1.2750490206081961
Energy: 1.2732075295281196
Energy: 1.2750490206088934
Energy: 1.2732075295281196
Energy: 1.2750490206081961
Energy: 1.2732075295281196
Energy: 1.0295143022171056
Energy: 1.2670957191819088
Energy: 1.0295143022171056
Energy: 1.2670957191812116
Energy: 1.0295143022171056
Energy: 1.2670957191819088
Energy: 1.122317958480928
Energy: 1.1377552939698676
Energy: 1.1223179584816252
Energy: 1.1377552939698676
Energy: 1.1223179584802312
Energy: 1.1377552939698676
Energy: 1.2675544789093214
Energy: 1.1493969714057832
Energy: 1.2675544789093214
Energy: 1.1493969714057832
Energy: 1.2675544789093214
Energy: 1.1493969714036925
Energy: 1.100197836568368
Energy: 1.347635231545957
Energy: 1.100197836569762
Energy: 1.347635231545957
Energy: 1.100197836569762
Energy: 1.347635231545957
Energy: 1.1573321628524764
Energy: 1.1501805927038917
Energy: 1.1573321628531732
Energy: 1.1501805927038917
Energy: 1.1573321628531732
Energy: 1.1501805927038917
Energy: 1.17454340404338
Energy: 1.1278377621159352
Energy: 1.1745434040426832
Energy: 1.1278377621159352
Energy: 1.1745434040412894
Energy: 1.1278377621159352
Energy: 1.18921391067216
Energy: 1.1851585735788932
Energy: 1.18921391067216
Energy: 1.1851585735788932
Energy: 1.18921391067216
Energy: 1.18515857357959
Energy: 1.1279325174824628
Energy: 1.1763084048332892
Energy: 1.1279325174824628
Energy: 1.1763084048332892
Energy: 1.1279325174824628
Energy: 1.1763084048332892
Energy: 1.1298020684034322
Energy: 1.0756125995090875
Energy: 1.1298020684041292
Energy: 1.0756125995097845
Energy: 1.1298020684034322
Energy: 1.0756125995090875
Energy: 1.07981625006276
Energy: 1.2673054586317813
Energy: 1.079816250062063
Energy: 1.2673054586324781
Energy: 1.079816250060669
Energy: 1.2673054586324781
Energy: 0.9295633738924547
Energy: 1.3643434002687287
Energy: 0.9295633738910608
Energy: 1.3643434002687287
Energy: 0.9295633738924547
Energy: 1.3643434002694255
Energy: 1.0175397413243126
Energy: 1.0288166996030808
Energy: 1.0175397413250096
Energy: 1.0288166996030808
Energy: 1.0175397413243126
Energy: 1.0288166996030808
Energy: 1.017351224381202
Energy: 1.3841990711218115
Energy: 1.017351224381899
Energy: 1.3841990711218115
Energy: 1.017351224379808
Energy: 1.3841990711225087
Energy: 1.21199128674729
Energy: 1.2746710249610496
Energy: 1.211991286746593
Energy: 1.2746710249610496
Energy: 1.21199128674729
Energy: 1.2746710249603526
Energy: 0.9908125010985088
Energy: 1.028118185290634
Energy: 0.9908125010999026
Energy: 1.028118185290634
Energy: 0.9908125010985088
Energy: 1.028118185290634
Energy: 0.9280552840130708
Energy: 1.176020890000054
Energy: 0.9280552840123737
Energy: 1.1760208899979634
Energy: 0.9280552840137676
Energy: 1.1760208899993572

minimum gb energy = 0.9280552840123737 eV
minimum distance =  2.28423010717214 Angstroms
sigma value = 43


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

Energy: 1.206784927993849
Energy: 0.8943444894918057
Energy: 1.2067849279948646
Energy: 0.8943444894918057
Energy: 1.2067849279948646
Energy: 0.8943444894918057
Energy: 0.9809264679669638
Energy: 1.026422483910596
Energy: 0.9809264679664561
Energy: 1.0264224839111038
Energy: 0.9809264679664561
Energy: 1.026422483910596
Energy: 0.9993788341824649
Energy: 1.0267129249138205
Energy: 0.9993788341824649
Energy: 1.0267129249133127
Energy: 0.9993788341824649
Energy: 1.0267129249133127
Energy: 1.1487802220444814
Energy: 0.9415549803681159
Energy: 1.1487802220439733
Energy: 0.9415549803676082
Energy: 1.1487802220444814
Energy: 0.9415549803681159
Energy: 1.1230959024307445
Energy: 0.9818744151571377
Energy: 1.1230959024312523
Energy: 0.9818744151566298
Energy: 1.1230959024312523
Energy: 0.9818744151566298
Energy: 0.9304732511723345
Energy: 0.9792000804532414
Energy: 0.9304732511723345
Energy: 0.9792000804527337
Energy: 0.9304732511723345
Energy: 0.9792000804532414
Energy: 1.111163563247527
Energy: 0.9087962447090082
Energy: 1.111163563247527
Energy: 0.9087962447064691
Energy: 1.1111635632480348
Energy: 0.9087962447064691
Energy: 1.1687716760072446
Energy: 1.0755541410693632
Energy: 1.168771676008768
Energy: 1.0755541410693632
Energy: 1.1687716760082603
Energy: 1.0755541410693632
Energy: 0.8806054272262073
Energy: 0.9684765160869973
Energy: 0.8806054272267152
Energy: 0.968476516087505
Energy: 0.8806054272267152
Energy: 0.968476516087505
Energy: 0.9863650361959613
Energy: 0.8674073170321834
Energy: 0.9863650361954535
Energy: 0.8674073170321834
Energy: 0.9863650361959613
Energy: 0.8674073170321834
Energy: 1.1005208417835237
Energy: 1.0671036500462265
Energy: 1.100520841783016
Energy: 1.0671036500462265
Energy: 1.1005208417835237
Energy: 1.0671036500462265
Energy: 0.8429441571854893
Energy: 0.9672167830505324
Energy: 0.8429441571849814
Energy: 0.9672167830500247
Energy: 0.8429441571849814
Energy: 0.9672167830500247
Energy: 0.9863604471400329
Energy: 0.8317386289598644
Energy: 0.9863604471390173
Energy: 0.8317386289593565
Energy: 0.9863604471400329
Energy: 0.8317386289593565
Energy: 1.0714395073226446
Energy: 1.068937810922615
Energy: 1.0714395073231522
Energy: 1.068937810922615
Energy: 1.0714395073231522
Energy: 1.068937810922615
Energy: 0.8633307812189114
Energy: 0.9671115043807035
Energy: 0.8633307812224658
Energy: 0.9671115043822268
Energy: 0.8633307812234815
Energy: 0.9671115043817191
Energy: 1.0086357350953654
Energy: 0.9202926711135793
Energy: 1.0086357350958732
Energy: 0.9202926711135793
Energy: 1.0086357350953654
Energy: 0.9202926711140872
Energy: 1.107534413570005
Energy: 1.1193334195775657
Energy: 1.1075344135694971
Energy: 1.1193334195775657
Energy: 1.1075344135689893
Energy: 1.1193334195775657
Energy: 0.8937540689002657
Energy: 1.0964517298103045
Energy: 0.8937540689002657
Energy: 1.0964517298103045
Energy: 0.8937540689012813
Energy: 1.0964517298103045
Energy: 0.9797638968542169
Energy: 0.9656176344211331
Energy: 0.9797638968542169
Energy: 0.9656176344211331
Energy: 0.9797638968537092
Energy: 0.9656176344211331
Energy: 1.1400927643145047
Energy: 1.110354230947331
Energy: 1.140092764313997
Energy: 1.110354230947331
Energy: 1.140092764313997
Energy: 1.110354230947331
Energy: 0.9594283450643816
Energy: 1.1588886940028278
Energy: 0.9594283450653973
Energy: 1.1588886940033356
Energy: 0.9594283450648893
Energy: 1.1588886940038432
Energy: 1.0377220775230884
Energy: 0.9801964621574627
Energy: 1.0377220775225804
Energy: 0.9801964621579706
Energy: 1.0377220775230884
Energy: 0.9801964621579706
Energy: 1.0379042104424459
Energy: 0.9737465833516328
Energy: 1.037904210441938
Energy: 0.9737465833511251
Energy: 1.0379042104414302
Energy: 0.9737465833511251
Energy: 1.023869029795633
Energy: 1.1595631448007064
Energy: 1.023869029795633
Energy: 1.1595631448007064
Energy: 1.0238690297951252
Energy: 1.1595631448007064
Energy: 0.9812106880487149
Energy: 1.0252797153815223
Energy: 0.9812106880482072
Energy: 1.0252797153820303
Energy: 0.9812106880476993
Energy: 1.0252797153815223
Energy: 0.9809071794301469
Energy: 0.9429923563816899
Energy: 0.9809071794296391
Energy: 0.9429923563816899
Energy: 0.9809071794296391
Energy: 0.9429923563816899
Energy: 0.9245957191359654
Energy: 1.1099300257166305
Energy: 0.9236741761526273
Energy: 1.1099300257156148
Energy: 0.9236741761531352
Energy: 1.1099300257166305
Energy: 0.9489068612942532
Energy: 0.9512222260123694
Energy: 0.9489068612937454
Energy: 0.9512222260113538
Energy: 0.948906861294761
Energy: 0.9512222260128771
Energy: 0.8589089101107132
Energy: 0.8844152846870432
Energy: 0.8589089101102054
Energy: 0.8844152846865355
Energy: 0.8589089101107132
Energy: 0.8844152846865355
Energy: 0.8626674680837952
Energy: 1.082004058392743
Energy: 0.8626674680837952
Energy: 1.0820040583907116
Energy: 0.8626674680832872
Energy: 1.0820040583896962
Energy: 0.9618297802895425
Energy: 1.1674125922420922
Energy: 0.9810714927400959
Energy: 1.1674125922426
Energy: 0.9810714927385724
Energy: 1.1674125922420922
Energy: 0.9598853714260115
Energy: 0.8570801470718713
Energy: 0.9598853714260115
Energy: 0.8570801470723791
Energy: 0.9598853714255038
Energy: 0.8570801470723791
Energy: 0.8389662873290217
Energy: 1.1583897079394443
Energy: 0.8389662873295296
Energy: 1.1583897079399523
Energy: 0.8389662873290217
Energy: 1.1583897079394443
Energy: 1.078655391129342
Energy: 1.0687817199889837
Energy: 1.078655391129342
Energy: 1.0687817199889837
Energy: 1.0786553911288344
Energy: 1.0687817199889837
Energy: 0.98854789782848
Energy: 0.8334212287945849
Energy: 0.9885478978269566
Energy: 0.8334212287950926
Energy: 0.988547897827972
Energy: 0.8334212288093108
Energy: 0.7755475376876892
Energy: 0.9564108798155987
Energy: 0.7755475376876892
Energy: 0.9564108798155987
Energy: 0.7755475376871814
Energy: 0.9564108798155987

minimum gb energy = 0.7755475376871814 eV
minimum distance =  2.27785518592163 Angstroms
sigma value = 81


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

Energy: 0.08155698547018826
Energy: 0.13860806349874202
Energy: 0.08155698547018826
Energy: 0.13860806349687627
Energy: 0.08155698547018826
Energy: 0.13860806349874202
Energy: 0.696398848343209
Energy: 0.0826761751198295
Energy: 0.696398848343209
Energy: 0.082676175116098
Energy: 0.696398848343209
Energy: 0.08267617510117194
Energy: 0.6964056418439459
Energy: 0.08255646790481508
Energy: 0.6964056418439459
Energy: 0.08255646788615753
Energy: 0.6964056418439459
Energy: 0.0825564679216069
Energy: 0.08155698547018826
Energy: 0.13860806349687627
Energy: 0.08155698547018826
Energy: 0.13860806349874202
Energy: 0.08155698547018826
Energy: 0.13860806349874202
Energy: 0.696398848343209
Energy: 0.08267617455844894
Energy: 0.696398848343209
Energy: 0.08267617464613948
Energy: 0.696398848343209
Energy: 0.08267617462561616
Energy: 0.6964056418439459
Energy: 0.08255646748705535
Energy: 0.6964056418439459
Energy: 0.08255646743858809
Energy: 0.6964056418439459
Energy: 0.08255646744791688
Energy: 0.08155698547018826
Energy: 0.13860806349874202
Energy: 0.08155698547018826
Energy: 0.13860806349874202
Energy: 0.08155698547018826
Energy: 0.13860806349874202
Energy: 0.696398848343209
Energy: 0.08267617428431003
Energy: 0.696398848343209
Energy: 0.08267617432349089
Energy: 0.696398848343209
Energy: 0.08267617428244427
Energy: 0.6964056418439459
Energy: 0.08255646719239311
Energy: 0.6964056418439459
Energy: 0.08255646720358764
Energy: 0.6964056418439459
Energy: 0.08255646717377794
Energy: 0.08155698547018826
Energy: 0.13860806349874202
Energy: 0.08155698547018826
Energy: 0.13860806349687627
Energy: 0.08155698547018826
Energy: 0.13860806349687627

minimum gb energy = 0.08155698547018826 eV
minimum distance =  2.46625253512779 Angstroms
sigma value = 3


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

Energy: 1.0663893267451392
Energy: 0.8845328546301097
Energy: 1.0663893267451392
Energy: 0.8845328546295513
Energy: 1.0663893267451392
Energy: 0.8845328546301097
Energy: 0.8869445814812423
Energy: 1.022990604895389
Energy: 0.8869445814812423
Energy: 1.022990604895389
Energy: 0.8869445814812423
Energy: 1.022990604895389
Energy: 0.9240157680369625
Energy: 0.9952116488861648
Energy: 0.9240157680375207
Energy: 0.9952116488861648
Energy: 0.9240157680369625
Energy: 0.9952116488856065
Energy: 0.9983690981193821
Energy: 0.936093733484565
Energy: 0.9983690981188238
Energy: 0.9360937334851231
Energy: 0.9983690981193821
Energy: 0.936093733484565
Energy: 0.7760996104196902
Energy: 0.9859532333222685
Energy: 0.7760996104191319
Energy: 0.9859532333211518
Energy: 0.7760996104191319
Energy: 0.9859532333205935
Energy: 0.9252651226602562
Energy: 0.9692354922728207
Energy: 0.9252651226608145
Energy: 0.9692354922728207
Energy: 0.9252651226608145
Energy: 0.9692354922728207
Energy: 0.9544804818437804
Energy: 0.9929054040325362
Energy: 0.9544804818432221
Energy: 0.9929054040325362
Energy: 0.9544804818437804
Energy: 0.9929054040325362
Energy: 0.7696858577732302
Energy: 0.9097241301138151
Energy: 0.7696858577732302
Energy: 0.9097241301193986
Energy: 0.7696858577726718
Energy: 0.9097241301216318
Energy: 0.9535394890501482
Energy: 0.9669340722387038
Energy: 0.9535394890501482
Energy: 0.9669340722387038
Energy: 0.9535394890501482
Energy: 0.9669340722387038
Energy: 0.9710369671898932
Energy: 0.9446531491909419
Energy: 0.9710369671893349
Energy: 0.9446531491909419
Energy: 0.9710369671898932
Energy: 0.9446531491909419
Energy: 0.8437206045308172
Energy: 0.8779510787328653
Energy: 0.8437206045324923
Energy: 0.8779510787334237
Energy: 0.8437206045319338
Energy: 0.8779510787334237
Energy: 0.9806222419577528
Energy: 0.9765046503023186
Energy: 0.9806222419577528
Energy: 0.9765046503028768
Energy: 0.9806222419571943
Energy: 0.9765046503023186
Energy: 0.9612022008379644
Energy: 0.7728444768463792
Energy: 0.9612022008379644
Energy: 0.7728444768458208
Energy: 0.9612022008379644
Energy: 0.7728444768458208
Energy: 0.8777608563131174
Energy: 0.9560448912506798
Energy: 0.8777608563136758
Energy: 0.9560448912506798
Energy: 0.8777608563136758
Energy: 0.9560448912506798
Energy: 0.9591470562993748
Energy: 0.9438308672879177
Energy: 0.9591470562988165
Energy: 0.9438308672873592
Energy: 0.9591470562993748
Energy: 0.9438308672879177
Energy: 0.9747401389224415
Energy: 0.773618433697605
Energy: 0.9747401389218832
Energy: 0.7736184336981633
Energy: 0.9747401389224415
Energy: 0.773618433697605
Energy: 0.9742330448603591
Energy: 0.9857771390062559
Energy: 0.9742330448609176
Energy: 0.9857771390062559
Energy: 0.9742330448609176
Energy: 0.9857771390062559
Energy: 0.9867458823317079
Energy: 0.9165402966078462
Energy: 0.9867458823322662
Energy: 0.9165402966078462
Energy: 0.9867458823311496
Energy: 0.9165402966078462
Energy: 0.986963931190842
Energy: 0.8748573618614283
Energy: 0.986963931190842
Energy: 0.87485736186087
Energy: 0.986963931190842
Energy: 0.87485736186087
Energy: 0.9035705456662841
Energy: 1.0440628058199228
Energy: 0.9035705456668425
Energy: 1.0440628058199228
Energy: 0.9035705456662841
Energy: 1.0440628058199228
Energy: 0.9778780900485287
Energy: 0.8940182991422556
Energy: 0.9778780900485287
Energy: 0.8940182991428139
Energy: 0.9778780900479704
Energy: 0.8940182991422556
Energy: 1.0410090087348551
Energy: 0.8895008461361578
Energy: 1.041009008734297
Energy: 0.8895008461355995
Energy: 1.041009008734297
Energy: 0.8895008461372745
Energy: 0.9563340710908937
Energy: 1.0418768891554366
Energy: 0.9563340710908937
Energy: 1.0418768891565535
Energy: 0.9563340710908937
Energy: 1.0418768891559953
Energy: 1.0442462614674919
Energy: 0.8722590351843936
Energy: 1.04424626146805
Energy: 0.872259035184952
Energy: 1.0442462614674919
Energy: 0.872259035184952
Energy: 0.9860120395221234
Energy: 0.9244132558064594
Energy: 0.9860120395226818
Energy: 0.9244132558064594
Energy: 0.9860120395226818
Energy: 0.9244132558064594
Energy: 0.8934819935673477
Energy: 0.9665459755601331
Energy: 0.8934819935679059
Energy: 0.9665459755601331
Energy: 0.8934819935673477
Energy: 0.9665459755612498
Energy: 1.038288337529241
Energy: 0.8197382089587701
Energy: 1.0382883375286827
Energy: 0.8197382089582119
Energy: 1.0382883375286827
Energy: 0.8197382089582119
Energy: 0.9411118665535528
Energy: 0.9557757173283616
Energy: 0.9411118665535528
Energy: 0.9557757173283616
Energy: 0.9411118665535528
Energy: 0.9557757173283616
Energy: 0.8345668815563694
Energy: 1.0053902735701457
Energy: 0.8345668815563694
Energy: 1.0053902735695872
Energy: 0.8345668815563694
Energy: 1.0053902735695872
Energy: 1.0586043019604316
Energy: 0.8808762224312172
Energy: 1.0586043019604316
Energy: 0.8808762224323338
Energy: 1.0586043019604316
Energy: 0.8808762224317755
Energy: 0.9474986656774415
Energy: 0.9528628120823369
Energy: 0.9474986656774415
Energy: 0.9528628120823369
Energy: 0.9474986656774415
Energy: 0.9528628120823369
Energy: 0.9216262572889231
Energy: 0.9497760262955764
Energy: 0.9216262572889231
Energy: 0.9497760262955764
Energy: 0.9216262572889231
Energy: 0.9497760262950181
Energy: 0.9441681556993611
Energy: 0.9883504564967566
Energy: 0.9441681556993611
Energy: 0.9883504564967566
Energy: 0.9441681556993611
Energy: 0.9883504564967566

minimum gb energy = 0.7696858577726718 eV
minimum distance =  2.34534059075587 Angstroms
sigma value = 67


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

Energy: 1.223684946274988
Energy: 1.1079483010975109
Energy: 1.223684946274988
Energy: 1.1079483010975109
Energy: 1.2236849462741923
Energy: 1.1079483010975109
Energy: 1.077629798534173
Energy: 1.1992619375482902
Energy: 1.077629798534173
Energy: 1.1992619375482902
Energy: 1.077629798534173
Energy: 1.1992619375482902
Energy: 1.1646935058913161
Energy: 1.1666061390376787
Energy: 1.2023115530182598
Energy: 1.1666061390376787
Energy: 1.2023115530150776
Energy: 1.1666061390376787
Energy: 1.1668730926916253
Energy: 1.0935986489971128
Energy: 1.16687309269083
Energy: 1.0935986489971128
Energy: 1.1668730926916253
Energy: 1.0935986489971128
Energy: 0.9621372640899263
Energy: 1.0603221672907774
Energy: 0.9621372640899263
Energy: 1.060322167289982
Energy: 0.9621372640899263
Energy: 1.0603221672907774
Energy: 1.14941699132153
Energy: 1.1483766493387222
Energy: 1.14941699132153
Energy: 1.1483766493395178
Energy: 1.1494169913207344
Energy: 1.1483766493387222
Energy: 1.0811542961728873
Energy: 1.1891775480506421
Energy: 1.0811542961728873
Energy: 1.1891775480506421
Energy: 1.081154296173683
Energy: 1.1891775480514377
Energy: 1.0814998483472575
Energy: 1.0523691248045384
Energy: 1.0814998483472575
Energy: 1.0523691248037426
Energy: 1.0814998483472575
Energy: 1.0523691248045384
Energy: 1.1824561194973364
Energy: 1.1993101231806018
Energy: 1.182456119496541
Energy: 1.1993101231806018
Energy: 1.1824561194973364
Energy: 1.1993101231798062
Energy: 1.1644267024463109
Energy: 0.9930999231361168
Energy: 1.1644267024471067
Energy: 0.9930999231361168
Energy: 1.1644267024463109
Energy: 0.9930999231369124
Energy: 1.154336603230383
Energy: 1.1433468356779424
Energy: 1.1543366032311786
Energy: 1.1433468356779424
Energy: 1.154336603230383
Energy: 1.1433468356779424
Energy: 1.1662162873734283
Energy: 1.133589723844543
Energy: 1.1662162873726327
Energy: 1.133589723844543
Energy: 1.1662162873726327
Energy: 1.133589723844543
Energy: 1.1399434023235535
Energy: 1.2238658313891861
Energy: 1.1399434023235535
Energy: 1.2238658313891861
Energy: 1.1399434023227581
Energy: 1.2238658313891861
Energy: 1.1828981263728193
Energy: 1.1782892874313735
Energy: 1.1828981263728193
Energy: 1.178289287430578
Energy: 1.1828981263728193
Energy: 1.1782892874313735
Energy: 1.1089935498342043
Energy: 1.0775969660235802
Energy: 1.1089935498349996
Energy: 1.0775969660235802
Energy: 1.1089935498342043
Energy: 1.0775969660227849
Energy: 1.1895709205002518
Energy: 1.1157666704739437
Energy: 1.1895709204994562
Energy: 1.1157666704747393
Energy: 1.1895709205002518
Energy: 1.1157666704739437
Energy: 1.097784553403836
Energy: 1.18712297486995
Energy: 1.097784553403836
Energy: 1.18712297486995
Energy: 1.0977845534030406
Energy: 1.1871229748707457
Energy: 1.1206217660534763
Energy: 1.0580942620287532
Energy: 1.1206217660534763
Energy: 1.0580942620287532
Energy: 1.120621766054272
Energy: 1.058094262029549
Energy: 1.1442211174709902
Energy: 1.2058891616388319
Energy: 1.144221117471786
Energy: 1.2058891616388319
Energy: 1.144221117471786
Energy: 1.2058891616396272
Energy: 1.2235984304228678
Energy: 1.1966624801105117
Energy: 1.2235984304228678
Energy: 1.1966624801105117
Energy: 1.2235984304220722
Energy: 1.1966624801105117
Energy: 1.2266255986258927
Energy: 1.0786396897590058
Energy: 1.2266255986250971
Energy: 1.0786396897582102
Energy: 1.2266255986258927
Energy: 1.0786396897582102
Energy: 1.1677660000619265
Energy: 1.2001910462743892
Energy: 1.167766000061131
Energy: 1.2001910462735934
Energy: 1.1677660000619265
Energy: 1.2001910462735934
Energy: 0.9722923051561168
Energy: 1.163111648807402
Energy: 0.9722923051561168
Energy: 1.163111648807402
Energy: 0.9722923051481611
Energy: 1.1631116488066062

minimum gb energy = 0.9621372640899263 eV
minimum distance =  2.32431815623598 Angstroms
sigma value = 33


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

Energy: 1.3442523595514164
Energy: 1.181089346732721
Energy: 1.3442523595514164
Energy: 1.1810893467332257
Energy: 1.3442523595519211
Energy: 1.181089346732721
Energy: 1.2012564346995651
Energy: 1.2974632542248423
Energy: 1.2012564346990604
Energy: 1.2974632542248423
Energy: 1.2012564346995651
Energy: 1.2974632542243374
Energy: 1.3138679088909588
Energy: 1.2987009499057225
Energy: 1.3138679088909588
Energy: 1.2987009499057225
Energy: 1.3138679088909588
Energy: 1.2987009499057225
Energy: 1.2860889147960233
Energy: 1.191604957999248
Energy: 1.2860889147970325
Energy: 1.1916049579987433
Energy: 1.2860889147965278
Energy: 1.1916049579987433
Energy: 1.210116683303807
Energy: 1.3129433416544793
Energy: 1.2101166833033024
Energy: 1.3129433416539746
Energy: 1.2101166833043118
Energy: 1.312943341654984
Energy: 1.4293713796031802
Energy: 1.3302020794481673
Energy: 1.4293713796036849
Energy: 1.3302020794476626
Energy: 1.4293713796036849
Energy: 1.3136035902272427
Energy: 1.199285945178072
Energy: 1.1508518161882146
Energy: 1.199285945178072
Energy: 1.1508518161897288
Energy: 1.1992859451785767
Energy: 1.1508518161887193
Energy: 1.2953225354608073
Energy: 1.2796006993310565
Energy: 1.2953225354608073
Energy: 1.2796006993310565
Energy: 1.2953225354608073
Energy: 1.2796006993310565
Energy: 1.2762989123262312
Energy: 1.2863117157395043
Energy: 1.276298912326736
Energy: 1.2863117157395043
Energy: 1.2762989123262312
Energy: 1.286311715740009
Energy: 1.4060537910280861
Energy: 1.3058300280025816
Energy: 1.4060537910280861
Energy: 1.3481914535058301
Energy: 1.4060537910275814
Energy: 1.3871631917475162
Energy: 1.3101784802828758
Energy: 1.2945171801839546
Energy: 1.310178480282371
Energy: 1.2945171801839546
Energy: 1.310178480282371
Energy: 1.2945171801839546
Energy: 1.2041581927486544
Energy: 1.2038034999694134
Energy: 1.2041581927481495
Energy: 1.2038034999694134
Energy: 1.2041581927486544
Energy: 1.2038034999694134
Energy: 1.3275174615934906
Energy: 1.2440842675402966
Energy: 1.3275174615939953
Energy: 1.2440842675402966
Energy: 1.3275174615939953
Energy: 1.2440842675402966
Energy: 1.2615435165082036
Energy: 1.2759947240022131
Energy: 1.261543516507699
Energy: 1.2759947240022131
Energy: 1.2615435165082036
Energy: 1.2759947240022131
Energy: 1.2405055123342013
Energy: 1.2313964017935761
Energy: 1.2405055123342013
Energy: 1.2313964017935761
Energy: 1.2405055123342013
Energy: 1.2313964017935761
Energy: 1.2859164649046155
Energy: 1.3163652620232547
Energy: 1.2859164649046155
Energy: 1.3163652620232547
Energy: 1.2859164649046155
Energy: 1.3163652620232547
Energy: 1.1923213139530207
Energy: 1.3246896569063944
Energy: 1.19232131395403
Energy: 1.3246896569068989
Energy: 1.1923213139535254
Energy: 1.3246896569063944
Energy: 1.3171835986633498
Energy: 1.3650287479627525
Energy: 1.317183598662845
Energy: 1.3650287479622478
Energy: 1.3171835986633498
Energy: 1.3650287479627525
Energy: 1.1954679352403372
Energy: 1.3667078523056049
Energy: 1.1954679352398325
Energy: 1.3667078523051002
Energy: 1.1954679352403372
Energy: 1.3667078523056049
Energy: 1.3384087509151703
Energy: 1.300881378569622
Energy: 1.338408750915675
Energy: 1.3008813785701265
Energy: 1.3384087509151703
Energy: 1.3008813785701265
Energy: 1.3586588400103994
Energy: 1.3154277051799936
Energy: 1.358658840010904
Energy: 1.3154277051799936
Energy: 1.3586588400103994
Energy: 1.3154277051799936
Energy: 1.2379820620419582
Energy: 1.1824121542788817
Energy: 1.2379820620414534
Energy: 1.182412154278377
Energy: 1.2379820620414534
Energy: 1.1824121542788817
Energy: 1.2047901580567084
Energy: 1.2946558654015565
Energy: 1.2047901580562037
Energy: 1.2946558654015565
Energy: 1.2047901580567084
Energy: 1.2946558654015565
Energy: 1.3688431546120938
Energy: 1.2079548343058506
Energy: 1.3688431546120938
Energy: 1.2079548343048412
Energy: 1.3688431546120938
Energy: 1.2079548343058506
Energy: 1.215310942453857
Energy: 1.21179975498337
Energy: 1.2153109424543618
Energy: 1.21179975498337
Energy: 1.215310942453857
Energy: 1.21179975498337
Energy: 1.2435174622029075
Energy: 1.289941476629668
Energy: 1.2435174622013936
Energy: 1.2899414766301724
Energy: 1.243517462202403
Energy: 1.289941476629668
Energy: 1.1993032974245157
Energy: 1.182079528712486
Energy: 1.1993032974245157
Energy: 1.1820795287129906
Energy: 1.1993032974245157
Energy: 1.1820795287129906
Energy: 1.3595638309037656
Energy: 1.3397037792583306
Energy: 1.3595638309037656
Energy: 1.3397037792588353
Energy: 1.359563830903261
Energy: 1.33970377925934
Energy: 1.3354447883430889
Energy: 1.3110584832343122
Energy: 1.3354447883440983
Energy: 1.3110584832348169
Energy: 1.3354447883435936
Energy: 1.3110584832343122
Energy: 1.1951056852505713
Energy: 1.1457525910229536
Energy: 1.1951056852505713
Energy: 1.145752591024468
Energy: 1.1951056852505713
Energy: 1.145752591023963
Energy: 1.3644731492770055
Energy: 1.3662588460662268
Energy: 1.3644731492770055
Energy: 1.3662588460662268
Energy: 1.3644731492770055
Energy: 1.3662588460667313
Energy: 1.2135902359427746
Energy: 1.3004936831362248
Energy: 1.2135902359432793
Energy: 1.3004936831362248
Energy: 1.2135902359427746
Energy: 1.3004936831357201
Energy: 1.2843485689627376
Energy: 1.3142735784056472
Energy: 1.2843485689632423
Energy: 1.3142735784061519
Energy: 1.2843485689627376
Energy: 1.3142735784061519
Energy: 1.2486243824695942
Energy: 1.297101887260533
Energy: 1.2486243824700989
Energy: 1.2971018872600284
Energy: 1.2486243824695942
Energy: 1.297101887260533
Energy: 1.2071960249498312
Energy: 1.2990259165124576
Energy: 1.2071960249498312
Energy: 1.299025916512962
Energy: 1.2071960249493265
Energy: 1.2990259165124576
Energy: 1.3500375478654623
Energy: 1.2448527373308491
Energy: 1.3500375478654623
Energy: 1.2448527373303444
Energy: 1.350037547865967
Energy: 1.2448527373308491
Energy: 1.201815348008854
Energy: 1.2305943286939685
Energy: 1.201815348008854
Energy: 1.2305943286939685
Energy: 1.201815348008854
Energy: 1.2305943286944732

minimum gb energy = 1.1457525910229536 eV
minimum distance =  2.31911226225945 Angstroms
sigma value = 41


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

Energy: 1.4888700360829834
Energy: 1.3519708062009308
Energy: 1.4888700360843614
Energy: 1.3519708062009308
Energy: 1.4888700360843614
Energy: 1.3519708062009308
Energy: 1.3532004658915346
Energy: 1.4425633536267197
Energy: 1.3532004658929127
Energy: 1.4425633536267197
Energy: 1.3532004658915346
Energy: 1.4425633536267197
Energy: 1.582697569330026
Energy: 1.4441399378782247
Energy: 1.625240771708114
Energy: 1.444139937876847
Energy: 1.5653198107813124
Energy: 1.444139937876847
Energy: 1.5107071701746182
Energy: 1.5652763598758126
Energy: 1.5107071701746182
Energy: 1.5652763598758126
Energy: 1.5107071701746182
Energy: 1.5652763598758126
Energy: 1.469641950503579
Energy: 1.4495141590881784
Energy: 1.469641950503579
Energy: 1.4495141590881784
Energy: 1.469641950503579
Energy: 1.4495141590881784
Energy: 1.5758569529766027
Energy: 1.4783256787300916
Energy: 1.5758569529766027
Energy: 1.4783256787300916
Energy: 1.5758569529766027
Energy: 1.4783256787300916
Energy: 1.5066707950521507
Energy: 1.3672213572188827
Energy: 1.5066707950521507
Energy: 1.3672213572188827
Energy: 1.5066707950521507
Energy: 1.3672213572188827
Energy: 1.438896792852556
Energy: 1.4692149931751328
Energy: 1.438896792852556
Energy: 1.4692149931751328
Energy: 1.438896792851178
Energy: 1.4692149931751328
Energy: 1.3528035239406386
Energy: 1.362938853058273
Energy: 1.3528035239406386
Energy: 1.362938853058273
Energy: 1.3528035239406386
Energy: 1.362938853058273
Energy: 1.5017343393727514
Energy: 1.388530261855413
Energy: 1.5017343393727514
Energy: 1.3885302618540352
Energy: 1.5017343393727514
Energy: 1.3885302618540352
Energy: 1.3538408625653102
Energy: 1.4436720308925086
Energy: 1.3538408625653102
Energy: 1.4436720308925086
Energy: 1.3538408625653102
Energy: 1.4436720308925086
Energy: 1.4340410866168745
Energy: 1.4407587834038076
Energy: 1.4340410866168745
Energy: 1.4407587834038076
Energy: 1.4340410866168745
Energy: 1.4407587834038076
Energy: 1.478991431724187
Energy: 1.4674601900588151
Energy: 1.478991431724187
Energy: 1.4674601900588151
Energy: 1.478991431724187
Energy: 1.4674601900588151
Energy: 1.4713693117188198
Energy: 1.4644479675350457
Energy: 1.4713693117188198
Energy: 1.464447967533668
Energy: 1.4713693117188198
Energy: 1.464447967533668

minimum gb energy = 1.3519708062009308 eV
minimum distance =  2.27512898551008 Angstroms
sigma value = 11


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

Energy: 1.6537251105536042
Energy: 1.6379024054226443
Energy: 1.6537251105536042
Energy: 1.6379024054232494
Energy: 1.6537251105536042
Energy: 1.6379024054232494
Energy: 1.444100671344708
Energy: 1.5990706633746452
Energy: 1.444100671344708
Energy: 1.5990706633752507
Energy: 1.444100671344708
Energy: 1.5990706633752507
Energy: 1.5546856090771743
Energy: 1.552672141597648
Energy: 1.5546856090777796
Energy: 1.552672141597648
Energy: 1.5546856090771743
Energy: 1.5526721415982536
Energy: 1.5587485683928204
Energy: 1.448364807049952
Energy: 1.558748568392215
Energy: 1.448364807049952
Energy: 1.558748568392215
Energy: 1.448364807049952
Energy: 1.604696663286748
Energy: 1.5356295196151588
Energy: 1.604696663286748
Energy: 1.5356295196151588
Energy: 1.604696663286748
Energy: 1.5356295196151588
Energy: 1.5230047354242213
Energy: 1.574898829317582
Energy: 1.5230047354242213
Energy: 1.574898829317582
Energy: 1.5230047354248266
Energy: 1.5748988293169768
Energy: 1.5722508473485375
Energy: 1.5373580381181733
Energy: 1.5722508473485375
Energy: 1.5373580381181733
Energy: 1.5722508473485375
Energy: 1.5373580381181733
Energy: 1.5301241373929222
Energy: 1.5709855199223866
Energy: 1.5301241373935277
Energy: 1.5709855199217813
Energy: 1.5301241373929222
Energy: 1.5709855199217813
Energy: 1.55170144128384
Energy: 1.5457042415771565
Energy: 1.55170144128384
Energy: 1.545704241577762
Energy: 1.55170144128384
Energy: 1.5457042415771565
Energy: 1.5358326039339159
Energy: 1.5398219959133417
Energy: 1.5358326039339159
Energy: 1.5398219959127366
Energy: 1.535832603934521
Energy: 1.5398219959133417
Energy: 1.463894450806152
Energy: 1.5867255512487273
Energy: 1.463894450806152
Energy: 1.5867255512487273
Energy: 1.463894450806152
Energy: 1.5867255512487273
Energy: 1.5657744324209253
Energy: 1.5909210952384922
Energy: 1.5657744324215306
Energy: 1.5909210952384922
Energy: 1.5657744324215306
Energy: 1.5909210952390975
Energy: 1.560628410931924
Energy: 1.4915027338585567
Energy: 1.560628410931924
Energy: 1.4915027338585567
Energy: 1.560628410931924
Energy: 1.4915027338585567
Energy: 1.5347214525546935
Energy: 1.5772111622119258
Energy: 1.5347214525546935
Energy: 1.5772111622119258
Energy: 1.5347214525546935
Energy: 1.5772111622119258
Energy: 1.4937698557731973
Energy: 1.512472155168811
Energy: 1.4937698557731973
Energy: 1.512472155168811
Energy: 1.4937698557731973
Energy: 1.512472155168811
Energy: 1.5774755883300413
Energy: 1.5381960914144455
Energy: 1.5774755883288307
Energy: 1.5381960914150508
Energy: 1.5774755883300413
Energy: 1.5381960914144455
Energy: 1.4650581574252832
Energy: 1.5542013410554198
Energy: 1.4650581574240724
Energy: 1.5542013410554198
Energy: 1.465058157424678
Energy: 1.5542013410554198
Energy: 1.5674470339157596
Energy: 1.5872006130492244
Energy: 1.5674470339151543
Energy: 1.5872006130492244
Energy: 1.5674470339151543
Energy: 1.5872006130492244
Energy: 1.5231820182883982
Energy: 1.453635475910503
Energy: 1.5231820182883982
Energy: 1.453635475910503
Energy: 1.5231820182883982
Energy: 1.453635475910503
Energy: 1.529160098698447
Energy: 1.5597258393011002
Energy: 1.529160098698447
Energy: 1.5597258393011002
Energy: 1.5291600986990526
Energy: 1.5597258393011002
Energy: 1.4516288458510629
Energy: 1.4938643220191954
Energy: 1.4516288458504574
Energy: 1.493864322019801
Energy: 1.4516288458510629
Energy: 1.493864322019801
Energy: 1.6063947072648321
Energy: 1.6460278763955056
Energy: 1.6063947072654376
Energy: 1.6460278763955056
Energy: 1.6063947072648321
Energy: 1.6460278763955056
Energy: 1.5088815530241835
Energy: 1.5524931455608737
Energy: 1.508881553023578
Energy: 1.5524931455608737
Energy: 1.508881553023578
Energy: 1.5524931455608737
Energy: 1.5855736745237787
Energy: 1.5984184859873303
Energy: 1.5855736745232007
Energy: 1.5984184859873303
Energy: 1.5855736745237787
Energy: 1.5984184859873303
Energy: 1.5351163162039794
Energy: 1.5447273854973627
Energy: 1.5351163162039794
Energy: 1.5447273854973627
Energy: 1.5351163162039794
Energy: 1.5447273854973627
Energy: 1.4696676416532841
Energy: 1.5730661535932513
Energy: 1.4696676416532841
Energy: 1.5730661535932513
Energy: 1.4696676416532841
Energy: 1.5730661535932513
Energy: 1.5229875850334076
Energy: 1.5936716172751548
Energy: 1.5229875850328023
Energy: 1.5936716172751548
Energy: 1.5229875850328023
Energy: 1.5936716172745495
Energy: 1.5610114588989101
Energy: 1.4885735258222734
Energy: 1.5610114588995156
Energy: 1.4885735258222734
Energy: 1.5610114588989101
Energy: 1.4885735258222734
Energy: 1.533460526049583
Energy: 1.603348176147935
Energy: 1.533460526049583
Energy: 1.603348176147935
Energy: 1.5334605260501883
Energy: 1.603348176147935
Energy: 1.4952400815420988
Energy: 1.4320663500164197
Energy: 1.4952400815420988
Energy: 1.432066350017025
Energy: 1.4952400815427043
Energy: 1.432066350017025
Energy: 1.5336803174000606
Energy: 1.605364185098089
Energy: 1.5336803174000606
Energy: 1.605364185098089
Energy: 1.5336803174000606
Energy: 1.6053641850974838

minimum gb energy = 1.4320663500164197 eV
minimum distance =  2.25780984768173 Angstroms
sigma value = 57


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

Energy: 1.455059225652965
Energy: 1.3681725669696414
Energy: 1.455059225652965
Energy: 1.368172566968564
Energy: 1.455059225652965
Energy: 1.3681725669696414
Energy: 1.5653107430281712
Energy: 1.5214098919386265
Energy: 1.5653107430281712
Energy: 1.5214098919386265
Energy: 1.5653107430281712
Energy: 1.5214098919386265
Energy: 1.6160033197751023
Energy: 1.498852062863722
Energy: 1.6160033197751023
Energy: 1.498852062863722
Energy: 1.6160033197751023
Energy: 1.498852062863722
Energy: 1.4518465203155526
Energy: 1.4516336092693984
Energy: 1.4518465203155526
Energy: 1.945422287941729
Energy: 1.45184652031663
Energy: 1.4318843489346584
Energy: 1.616165971845517
Energy: 1.4988153850166746
Energy: 1.616165971845517
Energy: 1.4988153850166746
Energy: 1.616165971845517
Energy: 1.4988153850155974
Energy: 1.5658206433193353
Energy: 1.4085515588404658
Energy: 1.5658206433193353
Energy: 1.4085515588404658
Energy: 1.5658206433182582
Energy: 1.4085515588404658
Energy: 1.455059225652965
Energy: 1.3681725669696414
Energy: 1.455059225652965
Energy: 1.3681725669696414
Energy: 1.455059225652965
Energy: 1.3681725669696414
Energy: 1.5653107430292486
Energy: 1.5214098919375494
Energy: 1.5653107430292486
Energy: 1.5214098919375494
Energy: 1.5653107430292486
Energy: 1.5214098919375494
Energy: 1.6160033197751023
Energy: 1.498852062863722
Energy: 1.6160033197751023
Energy: 1.4988520628626447
Energy: 1.6160033197740251
Energy: 1.4988520628626447
Energy: 1.45184652031663
Energy: 1.3801199283380299
Energy: 1.45184652031663
Energy: 1.737742432083822
Energy: 1.45184652031663
Energy: 1.4373431000761807
Energy: 1.6161659718444397
Energy: 1.4988153850155974
Energy: 1.6161659718444397
Energy: 1.4988153850155974
Energy: 1.6161659718433625
Energy: 1.4988153850155974
Energy: 1.5658206433193353
Energy: 1.4085515588404658
Energy: 1.5658206433193353
Energy: 1.4085515588404658
Energy: 1.5658206433204125
Energy: 1.4085515588404658
Energy: 1.4550592256518877
Energy: 1.3681725669696414
Energy: 1.4550592256518877
Energy: 1.3681725669707183
Energy: 1.455059225652965
Energy: 1.3681725669696414
Energy: 1.5653107430281712
Energy: 1.521409891936472
Energy: 1.5653107430281712
Energy: 1.521409891936472
Energy: 1.5653107430292486
Energy: 1.5214098919375494
Energy: 1.6160033197751023
Energy: 1.4988520628626447
Energy: 1.6160033197751023
Energy: 1.498852062863722
Energy: 1.6160033197751023
Energy: 1.498852062863722
Energy: 1.45184652031663
Energy: 1.3801199283369525
Energy: 1.45184652031663
Energy: 1.3801199283369525
Energy: 1.45184652031663
Energy: 1.4373431000772579
Energy: 1.616165971845517
Energy: 1.4988153850155974
Energy: 1.616165971845517
Energy: 1.4988153850155974
Energy: 1.616165971845517
Energy: 1.4988153850155974

minimum gb energy = 1.368172566968564 eV
minimum distance =  2.29877019084268 Angstroms
sigma value = 9


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

Energy: 1.5576693180678252
Energy: 1.6404915546198435
Energy: 1.5576693180678252
Energy: 1.6404915546198435
Energy: 1.5576693180678252
Energy: 1.6404915546198435
Energy: 1.5185778636010747
Energy: 1.5236866291437408
Energy: 1.5185778636010747
Energy: 1.5236866291437408
Energy: 1.5185778636010747
Energy: 1.5236866291437408
Energy: 1.5098863017163828
Energy: 1.5090302856583835
Energy: 1.5870325066522943
Energy: 1.5090302856592628
Energy: 1.5098863017155033
Energy: 1.5090302856583835
Energy: 1.4785712820738128
Energy: 1.6060911435163654
Energy: 1.4785712820738128
Energy: 1.6060911435163654
Energy: 1.4785712820746926
Energy: 1.6060911435163654
Energy: 1.5181833139568535
Energy: 1.529393898242536
Energy: 1.5181833139559742
Energy: 1.5293938982434154
Energy: 1.5181833139568535
Energy: 1.529393898242536
Energy: 1.528217738887181
Energy: 1.5150011005345168
Energy: 1.528217738887181
Energy: 1.5150011005345168
Energy: 1.528217738887181
Energy: 1.5150011005345168
Energy: 1.4965759148152762
Energy: 1.5370483114087163
Energy: 1.4965759148152762
Energy: 1.5370483114087163
Energy: 1.4965759148152762
Energy: 1.5370483114087163
Energy: 1.4933408682514353
Energy: 1.5510941874320294
Energy: 1.4933408682523148
Energy: 1.5510941874320294
Energy: 1.4933408682514353
Energy: 1.5510941874320294
Energy: 1.7088782601795962
Energy: 1.5658993908764367
Energy: 1.7088782601795962
Energy: 1.565899390875557
Energy: 1.7088782601795962
Energy: 1.565899390875557
Energy: 1.498466483539168
Energy: 1.5055960967190445
Energy: 1.498466483539168
Energy: 1.5055960967190445
Energy: 1.498466483539168
Energy: 1.5055960967190445
Energy: 1.5554464082597128
Energy: 1.5186824952698637
Energy: 1.5554464082597128
Energy: 1.518682495268984
Energy: 1.5554464082597128
Energy: 1.518682495268984
Energy: 1.5842793079684414
Energy: 1.545827437226693
Energy: 1.5842793079684414
Energy: 1.545827437226693
Energy: 1.5842793079684414
Energy: 1.545827437226693
Energy: 1.4785123082683354
Energy: 1.5628634710547613
Energy: 1.4785123082683354
Energy: 1.5628634710547613
Energy: 1.4785123082683354
Energy: 1.5628634710547613
Energy: 1.5370390417895017
Energy: 1.5079140759126715
Energy: 1.5370390417895017
Energy: 1.507914075911792
Energy: 1.5370390417895017
Energy: 1.5079140759126715
Energy: 1.6019740258882662
Energy: 1.5405935841088405
Energy: 1.6019740258891457
Energy: 1.5405935841097198
Energy: 1.6019740258882662
Energy: 1.5405935841097198
Energy: 1.5551941755630412
Energy: 1.517367074431101
Energy: 1.5551941755630412
Energy: 1.517367074431101
Energy: 1.5551941755630412
Energy: 1.517367074431101
Energy: 1.5507004003195932
Energy: 1.518171367904474
Energy: 1.5507004003195932
Energy: 1.518171367904474
Energy: 1.5507004003195932
Energy: 1.518171367904474
Energy: 1.7212554602080943
Energy: 1.529161432853099
Energy: 1.7212554602080943
Energy: 1.5291614328522196
Energy: 1.7212554602089738
Energy: 1.529161432853099
Energy: 1.4960584791143086
Energy: 1.5098359441819122
Energy: 1.4960584791143086
Energy: 1.5098359441819122
Energy: 1.4960584791151879
Energy: 1.5098359441819122
Energy: 1.5913166344577205
Energy: 1.5554258702259913
Energy: 1.5913166344577205
Energy: 1.5554258702259913
Energy: 1.5913166344577205
Energy: 1.5554258702259913
Energy: 1.5862880628188603
Energy: 1.5434930681484396
Energy: 1.5862880628188603
Energy: 1.5434930681484396
Energy: 1.5862880628188603
Energy: 1.543493068149319

minimum gb energy = 1.4785123082683354 eV
minimum distance =  2.28572794575943 Angstroms
sigma value = 27


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

Energy: 1.5305231110834048
Energy: 1.586359368376817
Energy: 1.5305231110834048
Energy: 1.586359368376817
Energy: 1.5305231110834048
Energy: 1.586359368376817
Energy: 1.5019619040777827
Energy: 1.51732412493026
Energy: 1.5019619040777827
Energy: 1.51732412493026
Energy: 1.5019619040777827
Energy: 1.51732412493026
Energy: 1.56770410810154
Energy: 1.4638048045409107
Energy: 1.5677041081007985
Energy: 1.463804804541652
Energy: 1.56770410810154
Energy: 1.4638048045409107
Energy: 1.45363395132978
Energy: 1.508321559471114
Energy: 1.4536339513290386
Energy: 1.508321559471114
Energy: 1.4536339513305214
Energy: 1.508321559471114
Energy: 1.451967434604327
Energy: 1.433992096708762
Energy: 1.4519674346058098
Energy: 1.4339920967080206
Energy: 1.4519674346050684
Energy: 1.433992096708762
Energy: 1.4250020461519446
Energy: 1.453489517534816
Energy: 1.4250020461519446
Energy: 1.453489517534816
Energy: 1.4250020461519446
Energy: 1.453489517534816
Energy: 1.4976175395113813
Energy: 1.5141601317135949
Energy: 1.4976175395106401
Energy: 1.5141601317135949
Energy: 1.4976175395106401
Energy: 1.5141601317135949
Energy: 1.5112934491374823
Energy: 1.562543768894178
Energy: 1.5112934491374823
Energy: 1.562543768894178
Energy: 1.5112934491374823
Energy: 1.562543768894178
Energy: 1.5063451808637838
Energy: 1.4534615896927343
Energy: 1.5063451808637838
Energy: 1.4534615896919927
Energy: 1.5063451808637838
Energy: 1.4534615896934755
Energy: 1.4539362138458833
Energy: 1.4903687811440525
Energy: 1.4539362138451422
Energy: 1.4903687811440525
Energy: 1.4539362138451422
Energy: 1.4903687811440525
Energy: 1.45381949923639
Energy: 1.5728980857542816
Energy: 1.4538194992371314
Energy: 1.5728980857542816
Energy: 1.4538194992378728
Energy: 1.5728980857542816
Energy: 1.5094832768032767
Energy: 1.4974774414371133
Energy: 1.5094832768032767
Energy: 1.4974774414371133
Energy: 1.5094832768032767
Energy: 1.4974774414371133
Energy: 1.5202681902462258
Energy: 1.5101058210690677
Energy: 1.5202681902462258
Energy: 1.5101058210690677
Energy: 1.5202681902462258
Energy: 1.5101058210698088
Energy: 1.4537985864383065
Energy: 1.50545770416678
Energy: 1.453798586437565
Energy: 1.50545770416678
Energy: 1.4537985864383065
Energy: 1.50545770416678
Energy: 1.4248632632888563
Energy: 1.4535164857853482
Energy: 1.4248632632888563
Energy: 1.4535164857846068
Energy: 1.4248632632888563
Energy: 1.4535164857846068
Energy: 1.4523652251557029
Energy: 1.4342457139350901
Energy: 1.4523652251557029
Energy: 1.4342457139350901
Energy: 1.4523652251557029
Energy: 1.4342457139350901
Energy: 1.4958569879991017
Energy: 1.4872879780669828
Energy: 1.4958569879991017
Energy: 1.4872879780669828
Energy: 1.4958569879991017
Energy: 1.4872879780669828
Energy: 1.5081708938848273
Energy: 1.4783377829877171
Energy: 1.5081708938840859
Energy: 1.4783377829891997
Energy: 1.5081708938848273
Energy: 1.478337782989941
Energy: 1.4441583849451642
Energy: 1.4511573122540151
Energy: 1.4441583849451642
Energy: 1.4511573122540151
Energy: 1.4441583849451642
Energy: 1.451157312253274
Energy: 1.530523111081922
Energy: 1.5863593683760753
Energy: 1.530523111081922
Energy: 1.5863593683760753
Energy: 1.530523111081922
Energy: 1.5863593683760753
Energy: 1.5019619040763
Energy: 1.5173241249295188
Energy: 1.5019619040770416
Energy: 1.5173241249295188
Energy: 1.5019619040763
Energy: 1.5173241249295188
Energy: 1.5677041081007985
Energy: 1.463804804541652
Energy: 1.5677041081007985
Energy: 1.463804804541652
Energy: 1.5677041081007985
Energy: 1.4638048045423935
Energy: 1.4536339513305214
Energy: 1.508321559471114
Energy: 1.4536339513290386
Energy: 1.508321559471114
Energy: 1.45363395132978
Energy: 1.508321559471114
Energy: 1.4519674346065514
Energy: 1.4339920967065378
Energy: 1.4519674346058098
Energy: 1.4339920967072795
Energy: 1.4519674346065514
Energy: 1.4339920967072795
Energy: 1.4250020461526858
Energy: 1.4534895175362987
Energy: 1.4250020461519446
Energy: 1.4534895175355573
Energy: 1.4250020461526858
Energy: 1.4534895175362987

minimum gb energy = 1.4248632632888563 eV
minimum distance =  2.31485291633726 Angstroms
sigma value = 19


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

Energy: 1.4702739652121186
Energy: 1.6988098350303953
Energy: 1.4702739652127585
Energy: 1.6988098350303953
Energy: 1.4702739652127585
Energy: 1.6988098350303953
Energy: 1.5219688489059393
Energy: 1.5263399230727233
Energy: 1.5219688489065792
Energy: 1.5263399230720833
Energy: 1.5219688489065792
Energy: 1.5263399230720833
Energy: 1.6578930698278145
Energy: 1.4269194788643365
Energy: 1.5584142174551885
Energy: 1.4269194788643365
Energy: 1.5584142174551885
Energy: 1.4269194788643365
Energy: 1.4182416019475128
Energy: 1.5504848046087272
Energy: 1.4182416019468729
Energy: 1.5504848046087272
Energy: 1.4182416019475128
Energy: 1.5504848046087272
Energy: 1.5222093142006388
Energy: 1.5189889905295468
Energy: 1.522209314199999
Energy: 1.5189889905295468
Energy: 1.5222093142006388
Energy: 1.5189889905295468
Energy: 1.565190398968537
Energy: 1.4258258093988816
Energy: 1.565190398968537
Energy: 1.4258258093988816
Energy: 1.565190398968537
Energy: 1.4258258093988816
Energy: 1.428157849233576
Energy: 1.6372869916747559
Energy: 1.428157849233576
Energy: 1.6372869916747559
Energy: 1.428157849233576
Energy: 1.6372869916747559
Energy: 1.449879598111616
Energy: 1.6437525658719556
Energy: 1.449879598111616
Energy: 1.6437525658725958
Energy: 1.449879598111616
Energy: 1.6437525658719556
Energy: 1.592586309631218
Energy: 1.3966763598738074
Energy: 1.592586309631218
Energy: 1.3966763598738074
Energy: 1.592586309631218
Energy: 1.3966763598738074
Energy: 1.5219551392082158
Energy: 1.5175010188292888
Energy: 1.5219551392082158
Energy: 1.5175010188286489
Energy: 1.5219551392082158
Energy: 1.5175010188292888
Energy: 1.4076322567419361
Energy: 1.6300060024985346
Energy: 1.4076322567419361
Energy: 1.6300060024978944
Energy: 1.4076322567419361
Energy: 1.6300060024991743
Energy: 1.5941319893628405
Energy: 1.4250588135283164
Energy: 1.5941319893628405
Energy: 1.4250588135276765
Energy: 1.5941319893622006
Energy: 1.4250588135289566
Energy: 1.542238059832209
Energy: 1.4805619530965828
Energy: 1.542238059832209
Energy: 1.4805619530959426
Energy: 1.542238059832209
Energy: 1.4805619530965828
Energy: 1.424067493201935
Energy: 1.548507284142635
Energy: 1.424067493201935
Energy: 1.548507284142635
Energy: 1.424067493201935
Energy: 1.5485072841432748
Energy: 1.563573793150598
Energy: 1.4343114237726688
Energy: 1.563573793151238
Energy: 1.4343114237726688
Energy: 1.563573793150598
Energy: 1.434311423772029
Energy: 1.622658424851877
Energy: 1.3968351346365433
Energy: 1.6226584248512368
Energy: 1.3968351346359034
Energy: 1.622658424851877
Energy: 1.3968351346359034
Energy: 1.4348526895238443
Energy: 1.5453746164036304
Energy: 1.434852689525124
Energy: 1.5453746164036304
Energy: 1.4348526895244842
Energy: 1.5453746164036304
Energy: 1.5039426135682956
Energy: 1.5400406647011906
Energy: 1.5039426135682956
Energy: 1.5400406647005507
Energy: 1.5039426135682956
Energy: 1.5400406647011906
Energy: 1.5353524866212473
Energy: 1.4244397557148196
Energy: 1.5353524866212473
Energy: 1.4244397557141797
Energy: 1.5353524866212473
Energy: 1.4244397557141797
Energy: 1.4337020401648843
Energy: 1.520620651916599
Energy: 1.4337020401642444
Energy: 1.520620651916599
Energy: 1.4337020401648843
Energy: 1.520620651916599
Energy: 1.429870516867997
Energy: 1.6268019094719746
Energy: 1.429870516867357
Energy: 1.6268019094719746
Energy: 1.429870516867997
Energy: 1.6268019094713349
Energy: 1.599817124989167
Energy: 1.4267940554079395
Energy: 1.599817124989167
Energy: 1.4267940554072995
Energy: 1.599817124989167
Energy: 1.4267940554079395
Energy: 1.5656961154608882
Energy: 1.523981897005872
Energy: 1.5656961154608882
Energy: 1.523981897005872
Energy: 1.565696115461528
Energy: 1.523981897005872
Energy: 1.4586668887023975
Energy: 1.5305532712495786
Energy: 1.4586668887023975
Energy: 1.5305532712489387
Energy: 1.4586668887023975
Energy: 1.5305532712489387
Energy: 1.5004875532584832
Energy: 1.4269673303253976
Energy: 1.500487553259123
Energy: 1.4269673303247576
Energy: 1.5004875532584832
Energy: 1.4269673303253976
Energy: 1.5504039786195576
Energy: 1.4507936154555676
Energy: 1.5504039786195576
Energy: 1.4507936154555676
Energy: 1.5504039786195576
Energy: 1.4507936154562073
Energy: 1.4010909935525353
Energy: 1.5322677920796464
Energy: 1.4010909935525353
Energy: 1.5322677920796464
Energy: 1.4010909935525353
Energy: 1.5322677920796464
Energy: 1.5475545225430154
Energy: 1.4243721965786655
Energy: 1.5475545225436553
Energy: 1.4243721965786655
Energy: 1.5475545225430154
Energy: 1.4243721965786655
Energy: 1.5117960700611837
Energy: 1.4245897207711207
Energy: 1.5117960700611837
Energy: 1.4245897207704807
Energy: 1.5117960700618238
Energy: 1.4245897207711207

minimum gb energy = 1.3966763598738074 eV
minimum distance =  2.27612008331637 Angstroms
sigma value = 101


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

Energy: 1.382254884553037
Energy: 1.56738621150614
Energy: 1.382254884553037
Energy: 1.56738621150614
Energy: 1.382254884553037
Energy: 1.56738621150614
Energy: 1.496363939627811
Energy: 1.447342012026787
Energy: 1.4963639396283734
Energy: 1.4671611518191283
Energy: 1.496363939628936
Energy: 1.396082652071263
Energy: 1.477250147222623
Energy: 1.3615651155485256
Energy: 1.4772501472220607
Energy: 1.3615651155485256
Energy: 1.4772501472220607
Energy: 1.3615651155485256
Energy: 1.3235001533272917
Energy: 1.7508596858389203
Energy: 1.323500153327854
Energy: 1.7908192517355936
Energy: 1.323500153327854
Energy: 1.7106348111842455
Energy: 1.4377028521564914
Energy: 1.4219589385995397
Energy: 1.4377028521553663
Energy: 1.4219589385995397
Energy: 1.4377028521559287
Energy: 1.4219589385989773
Energy: 1.5467672077584957
Energy: 1.341432900525404
Energy: 1.5467672077590584
Energy: 1.341432900525404
Energy: 1.5467672077579333
Energy: 1.341432900525404
Energy: 1.3578907093648147
Energy: 1.6543253135677891
Energy: 1.3578907093653771
Energy: 1.6543253135672267
Energy: 1.3578907093659398
Energy: 1.6543253135677891
Energy: 1.3423570150724018
Energy: 1.5862861897684057
Energy: 1.3423570150724018
Energy: 1.6386455336369048
Energy: 1.3423570150724018
Energy: 1.4937853389928677
Energy: 1.5423082097295084
Energy: 1.3433882195211693
Energy: 1.542308209728946
Energy: 1.3433882195211693
Energy: 1.5423082097295084
Energy: 1.3433882195206068
Energy: 1.5152432512681597
Energy: 1.538289554520361
Energy: 1.5152432512687224
Energy: 1.6087899387947564
Energy: 1.5152432512687224
Energy: 1.538289554523174
Energy: 1.3224508526360457
Energy: 1.654504997452644
Energy: 1.3224508526360457
Energy: 1.6545049974532067
Energy: 1.3224508526360457
Energy: 1.6545049974532067
Energy: 1.4282232988261707
Energy: 1.3972072518810785
Energy: 1.428223298892551
Energy: 1.3972072518816412
Energy: 1.4282232988672365
Energy: 1.3972072518816412
Energy: 1.5049777570121494
Energy: 1.3620327459664492
Energy: 1.5049777570121494
Energy: 1.3620327459664492
Energy: 1.504977757011587
Energy: 1.3620327459670118
Energy: 1.382225139038709
Energy: 1.5408284526351925
Energy: 1.3822251390381464
Energy: 1.5762087547914727
Energy: 1.382225139038709
Energy: 1.5408284526385678
Energy: 1.4835576971454896
Energy: 1.4095768879840875
Energy: 1.4835576971460522
Energy: 1.4095768879840875
Energy: 1.4835576971454896
Energy: 1.4095768879852126
Energy: 1.5603814189117327
Energy: 1.3642026004334444
Energy: 1.5603814189117327
Energy: 1.364202600432882
Energy: 1.5603814189111698
Energy: 1.364202600432882
Energy: 1.3225078217413921
Energy: 1.4551484764164853
Energy: 1.3225078217419546
Energy: 1.4551484764164853
Energy: 1.3225078217419546
Energy: 1.4551484764439988
Energy: 1.3166132002060682
Energy: 1.4788723271377613
Energy: 1.3166132002055058
Energy: 1.4788723271377613
Energy: 1.3166132002055058
Energy: 1.4788723271371988
Energy: 1.5437887319800876
Energy: 1.3415212535982413
Energy: 1.5437887319800876
Energy: 1.3415212535982413
Energy: 1.543788731980599
Energy: 1.3415212535982413
Energy: 1.4311046002967245
Energy: 1.4820874056665603
Energy: 1.4311046002967245
Energy: 1.4820874056654352
Energy: 1.431104600296162
Energy: 1.4820874056648725
Energy: 1.3423345272602432
Energy: 1.6394276368078826
Energy: 1.3423345272602432
Energy: 1.6394276368078826
Energy: 1.3423345272602432
Energy: 1.6394276368078826
Energy: 1.657351685503102
Energy: 1.3415428757252161
Energy: 1.657351685503102
Energy: 1.3415428757252161
Energy: 1.657351685503102
Energy: 1.3415428757252161
Energy: 1.5451686023814244
Energy: 1.3423458567808537
Energy: 1.5451686023814244
Energy: 1.3423458567808537
Energy: 1.5451686023814244
Energy: 1.3423458567808537
Energy: 1.323690065519535
Energy: 1.5474197796205267
Energy: 1.323690065519535
Energy: 1.5474197796205267
Energy: 1.323690065519535
Energy: 1.5474197796205267
Energy: 1.4294862917464133
Energy: 1.3934828616496335
Energy: 1.4294862917481008
Energy: 1.393482861649071
Energy: 1.4294862917475382
Energy: 1.3934828616496335
Energy: 1.505738896985818
Energy: 1.3616360049979386
Energy: 1.505738896985818
Energy: 1.361636004999064
Energy: 1.5057388969852556
Energy: 1.3616360049979386
Energy: 1.3822067665849744
Energy: 1.5007946547657065
Energy: 1.3822067665838493
Energy: 1.5007946547657065
Energy: 1.3822067665844118
Energy: 1.500794654765144
Energy: 1.3827267804210652
Energy: 1.5187104730937262
Energy: 1.3827267804216279
Energy: 1.5187104730942886
Energy: 1.38272678042219
Energy: 1.5187104730942886
Energy: 1.547449339486904
Energy: 1.3615923843881341
Energy: 1.5474493394863416
Energy: 1.3615923843875717
Energy: 1.547449339486904
Energy: 1.3615923843881341
Energy: 1.3164923165608873
Energy: 1.4968775446908007
Energy: 1.3164923165603246
Energy: 1.4968775446913636
Energy: 1.31649231656145
Energy: 1.4968775446913636
Energy: 1.3223833615856906
Energy: 1.4708177034740593
Energy: 1.3223833615856906
Energy: 1.4708177034746217
Energy: 1.3223833615868157
Energy: 1.4708177034740593
Energy: 1.5265172431408756
Energy: 1.341308669017591
Energy: 1.5265172431408756
Energy: 1.341308669016466
Energy: 1.5265172431414382
Energy: 1.341308669017591
Energy: 1.6583782274984546
Energy: 1.3423892415257057
Energy: 1.6583782274984546
Energy: 1.3423892415262684
Energy: 1.6583782274984546
Energy: 1.3423892415257057

minimum gb energy = 1.3164923165603246 eV
minimum distance =  2.29807077872342 Angstroms
sigma value = 33


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

Energy: 0.020522328298658805
Energy: 1.2229120032598102
Energy: 0.020522328298658805
Energy: 1.2229120032593428
Energy: 0.020522328298658805
Energy: 1.2229120032598102
Energy: 0.021436188878005656
Energy: 0.4553862159500114
Energy: 0.021436188878473064
Energy: 0.45538621594912854
Energy: 0.021436188878473064
Energy: 0.45538621595047885
Energy: 2.507619219904082
Energy: 0.45468711323479233
Energy: 1.223575320031283
Energy: 0.454687113495187
Energy: 1.223974864157493
Energy: 0.45468711343535956
Energy: 0.021436188878473064
Energy: 0.4553862159500114
Energy: 0.021436188878473064
Energy: 0.4553862159500114
Energy: 0.021436188878473064
Energy: 0.455386215949544

minimum gb energy = 0.020522328298658805 eV
minimum distance =  2.48492826894358 Angstroms
sigma value = 1