Model name: model_name=MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.850998893380165
cohesive_energy=4.280334775369924
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
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: 0.01329776578315291
Energy: 0.013662895452913373
Energy: 2.8756652729033476
Energy: 0.013662895453893778
Energy: 0.013662895452913373
Energy: 0.013817562701570483
Energy: 0.45318557736318066
Energy: 0.013817562701570483
Energy: 2.8756652729033476
Energy: 0.45318557736318066
Energy: 0.45304742605104115
Energy: 0.45318557736318066
Energy: 0.013662895453893778
Energy: 0.013817562701570483
Energy: 0.45318557736318066
Energy: 0.013817562701570483

minimum gb energy = 0.01329776578315291 eV
minimum distance =  2.46578140369731 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 1.0674267596009326
Energy: 0.6704168722886148
Energy: 2.1365234260230173
Energy: 0.6704168723045137
Energy: 1.134316725484272
Energy: 0.6362718619468626
Energy: 0.691873851205818
Energy: 0.6362718619468626
Energy: 1.3077253733788257
Energy: 0.6911230695258093
Energy: 0.6666778834885281
Energy: 0.6911230695270323
Energy: 1.034696030407644
Energy: 0.6394534356606216
Energy: 0.6938030906147474
Energy: 0.6394534356606216
Energy: 1.0350453648145275
Energy: 0.639110987833658
Energy: 1.058299349744965
Energy: 0.639110987832435
Energy: 1.1550106057422094
Energy: 0.6488408541251892
Energy: 0.6481587606530232
Energy: 0.6488408541251892
Energy: 0.8402220601427051
Energy: 0.7208672866227576
Energy: 0.6480199073949271
Energy: 0.7208672866215345
Energy: 0.6394988922257124
Energy: 0.8624842366929794
Energy: 1.0630483536206772
Energy: 0.8624842366929794
Energy: 0.8505628871770667
Energy: 0.6472319099483163
Energy: 1.030659311527202
Energy: 0.6472319099091806
Energy: 1.3269271368188704
Energy: 0.7560414360326612
Energy: 0.8428114653789773
Energy: 0.7560414360326612
Energy: 0.6657325442859636
Energy: 0.7116066078279991
Energy: 1.0294920905317178
Energy: 0.7116066078279991
Energy: 0.6656602271666996
Energy: 0.6659844328473495
Energy: 1.4793187310273628
Energy: 0.6659844328473495
Energy: 0.8625336208600627
Energy: 0.636103530421457
Energy: 1.0295342842390465
Energy: 0.6361035304202339
Energy: 0.6920266424366839
Energy: 0.6383756090474431
Energy: 1.0485824374359747
Energy: 0.6383756090498891
Energy: 0.6883532195891041
Energy: 0.6458715785243665
Energy: 1.141694301942947
Energy: 0.6458715785255895
Energy: 0.6881659982251009
Energy: 0.646003601172354
Energy: 1.1419702457961407
Energy: 0.646003601173577
Energy: 0.6874226049045856
Energy: 0.6383975202246871
Energy: 1.067812485138853
Energy: 0.6383975202246871
Energy: 0.8625497835397481
Energy: 0.6361818984610316
Energy: 1.0261201779624487
Energy: 0.6361818985050592
Energy: 0.6579895793137246
Energy: 0.6657624136120467
Energy: 1.5346738617554743
Energy: 0.6657624136120467
Energy: 0.6658973014945054
Energy: 0.7108809353272639
Energy: 0.8423249796078894
Energy: 0.7108809353272639
Energy: 1.1996980801976638
Energy: 0.6480842281271928
Energy: 0.8440333076523212
Energy: 0.6480842281259698
Energy: 0.8528113940188827
Energy: 0.638756047796789
Energy: 1.030405788552308
Energy: 0.6387560477955659
Energy: 0.8594520206715924
Energy: 0.6453801808480268
Energy: 0.8570589390694323
Energy: 0.6453801808455809
Energy: 1.0442914764887843
Energy: 0.7219011890148277
Energy: 0.6482281216146337
Energy: 0.7219011890160507
Energy: 1.1549633497782938
Energy: 0.6484896207730979
Energy: 0.6500634969518414
Energy: 0.6484896207730979
Energy: 1.0355432345592634
Energy: 0.6382686280836699
Energy: 1.066413467017609
Energy: 0.6382686280824469
Energy: 1.0335649502896993
Energy: 0.6390562681634185
Energy: 0.6908281504790044
Energy: 0.6390562681621955
Energy: 1.3072212818643858
Energy: 0.6909327987997577
Energy: 0.6672218867743893
Energy: 0.6909327987985348
Energy: 1.1344643739370772
Energy: 0.636142262553437
Energy: 0.6922904295198219
Energy: 0.636142262553437
Energy: 1.0638657227604056
Energy: 0.7083636404124208
Energy: 0.6911620412307922
Energy: 0.7083636404136439
Energy: 1.1440462355543832
Energy: 0.6361637909490574
Energy: 0.6971173280113686
Energy: 0.6361637909453883
Energy: 1.1547909649465058
Energy: 0.6636548809139482
Energy: 0.6673288682149067
Energy: 0.6636548809139482
Energy: 1.0348686252645742
Energy: 0.6393833738192773
Energy: 0.7312709743936251
Energy: 0.6393833738192773

minimum gb energy = 0.6361035304202339 eV
minimum distance =  2.35055486522307 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 1.1937904315437713
Energy: 0.6683971018195188
Energy: 2.238556330747169
Energy: 0.6683971018139412
Energy: 1.0662669626229417
Energy: 0.7288550740134896
Energy: 0.7669466374754993
Energy: 0.7288550740134896
Energy: 1.1001724970279527
Energy: 0.704231797776555
Energy: 0.7042643740007903
Energy: 0.7042317977751605
Energy: 0.6457062161641326
Energy: 0.6814929110125265
Energy: 0.763398003658502
Energy: 0.6814929110125265
Energy: 0.6455072467477606
Energy: 0.6817073340214995
Energy: 1.176987749645189
Energy: 0.6817073340214995
Energy: 1.0993303609388583
Energy: 0.6814270259226975
Energy: 0.6812018878532643
Energy: 0.6814270259213031
Energy: 0.7041935220999604
Energy: 0.7291739209602771
Energy: 0.6809496903063481
Energy: 0.7291739209602771
Energy: 0.6810330074610174
Energy: 0.6814552759819581
Energy: 1.1763799007440305
Energy: 0.6814552759819581
Energy: 0.7042826317267792
Energy: 0.7277949739132556
Energy: 1.101654376296534
Energy: 0.7277949739132556
Energy: 1.455386856129642
Energy: 0.6460615212635783
Energy: 0.6458895681822663
Energy: 0.6460615212621839
Energy: 0.6830699126530055
Energy: 0.7666349511883904
Energy: 1.0996339711984704
Energy: 0.7666349511883904
Energy: 0.6817602783676642
Energy: 0.6810901998019436
Energy: 1.4234639826948412
Energy: 0.6810901998019436
Energy: 0.7635104795542366
Energy: 0.645452142313715
Energy: 1.0661275585364585
Energy: 0.6454521423123205
Energy: 0.7635104795542366
Energy: 0.6454453086199774
Energy: 1.065353034228209
Energy: 0.6454453086199774
Energy: 0.6817672408170015
Energy: 0.6810174283645832
Energy: 1.4194099569927245
Energy: 0.6810174283645832
Energy: 0.6828729214496366
Energy: 0.7666498222678342
Energy: 1.100060062879456
Energy: 0.7666498222692286
Energy: 1.455386856129642
Energy: 0.6465473635097989
Energy: 0.6458343093995398
Energy: 0.6465473635097989
Energy: 0.7040844009521651
Energy: 0.7280728431295556
Energy: 1.101588584156806
Energy: 0.7280728431295556
Energy: 0.6808864783809749
Energy: 0.68114407222335
Energy: 1.176379900742636
Energy: 0.68114407222335
Energy: 0.7039724565284143
Energy: 0.7292355728310808
Energy: 0.6809706378946165
Energy: 0.7292355728310808
Energy: 1.0993477924712503
Energy: 0.6819697631846503
Energy: 0.6808564407158254
Energy: 0.6819697631846503
Energy: 0.6456157838213403
Energy: 0.6824140973657111
Energy: 1.176987749645189
Energy: 0.6824140973657111
Energy: 0.6455038673015809
Energy: 0.6814577518086335
Energy: 0.7633980036571075
Energy: 0.6814577518086335
Energy: 1.09995242761903
Energy: 0.704077235552171
Energy: 0.704063563074507
Energy: 0.704077235552171
Energy: 1.0661977558796891
Energy: 0.7285834202628452
Energy: 0.7669466374754993
Energy: 0.7285834202628452
Energy: 1.1937904315437713
Energy: 0.6683971018139412
Energy: 2.238556330747169
Energy: 0.6683971018153355
Energy: 1.0662669626243364
Energy: 0.7288550740134896
Energy: 0.7669466374754993
Energy: 0.7288550740134896
Energy: 1.1001724970293472
Energy: 0.7042317977751605
Energy: 0.704264373999396
Energy: 0.7042317977751605
Energy: 0.6457062161641326
Energy: 0.6814929110097376
Energy: 0.7633980036571075
Energy: 0.6814929110125265

minimum gb energy = 0.6454453086199774 eV
minimum distance =  2.34549539540632 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 0.9947395908294411
Energy: 0.8273872302148629
Energy: 2.212370330837733
Energy: 0.827387230216484
Energy: 1.1674085038744249
Energy: 0.7179983966645557
Energy: 0.8048553966057199
Energy: 0.7179983966645557
Energy: 1.1908109295926024
Energy: 0.7470355297403315
Energy: 0.7579083960274697
Energy: 0.7470355297387105
Energy: 0.9885228691953227
Energy: 0.7052426651137216
Energy: 0.8705056386713774
Energy: 0.7052426651137216
Energy: 0.9873970750763903
Energy: 0.7054853565675885
Energy: 0.9483809294745171
Energy: 0.7054853565692094
Energy: 1.1905418623272497
Energy: 0.7189329720004358
Energy: 0.7181368182270422
Energy: 0.7189329720004358
Energy: 0.7526394929193768
Energy: 0.7056886588595108
Energy: 0.7183753717367517
Energy: 0.7056886588578899
Energy: 0.7267662071972373
Energy: 0.7526649973582323
Energy: 1.4878582438533126
Energy: 0.7526649973582323
Energy: 0.7956369924792838
Energy: 0.8086830265535006
Energy: 0.9725905242983688
Energy: 0.8086830265551215
Energy: 0.7914540843441039
Energy: 0.6910369631574601
Energy: 1.0058961292516864
Energy: 0.6910369631574601
Energy: 0.7911763813616886
Energy: 0.8088535811802228
Energy: 1.1761649841194592
Energy: 0.8088535811786018
Energy: 0.8025809388430335
Energy: 0.7522197661388614
Energy: 1.1690008195954382
Energy: 0.7522197661388614
Energy: 0.8145606558510206
Energy: 0.6910801319838498
Energy: 1.0059863161625837
Energy: 0.6910801319838498
Energy: 0.7949654406330254
Energy: 0.8089505447618327
Energy: 0.9745906384866022
Energy: 0.8089505447602118
Energy: 0.7522849567069115
Energy: 0.7521650021680132
Energy: 1.4516587941653876
Energy: 0.752165002166392
Energy: 0.7523303027351017
Energy: 0.7051666241306069
Energy: 0.7178519350790504
Energy: 0.7051666241273649
Energy: 1.4501021230773297
Energy: 0.7182814693595572
Energy: 0.7177712281345912
Energy: 0.7182814693595572
Energy: 0.9875595958987113
Energy: 0.7063345802393574
Energy: 0.9800907542489221
Energy: 0.7063345802393574
Energy: 0.9879661129995371
Energy: 0.7052150717758987
Energy: 0.8737435067177901
Energy: 0.7052150717742778
Energy: 0.9571673942509257
Energy: 0.7182430414172494
Energy: 0.746809966430714
Energy: 0.7182430414188702
Energy: 1.1658286363647448
Energy: 0.7180040296136673
Energy: 0.738089982676807
Energy: 0.7180040296136673
Energy: 0.9923618289722329
Energy: 0.6918382978014314
Energy: 0.8056998147464305
Energy: 0.6918382978014314
Energy: 1.168365980249338
Energy: 0.7922833843228708
Energy: 0.8049057277990777
Energy: 0.7922833843212499
Energy: 1.1912514622039012
Energy: 0.7472287488278145
Energy: 0.7581091795023137
Energy: 0.7472287488278145
Energy: 0.9873785516869632
Energy: 0.7055041458329482
Energy: 0.7387876317006502
Energy: 0.7055041458329482

minimum gb energy = 0.6910369631574601 eV
minimum distance =  2.35744330234238 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 0.7111218950600301
Energy: 0.7093480362465773
Energy: 2.407053501375254
Energy: 0.7093480362463795
Energy: 0.7100451871644627
Energy: 0.7800083199071671
Energy: 0.7803007047113663
Energy: 0.7800083199073649
Energy: 0.780070525672874
Energy: 0.8351016716073506
Energy: 0.900086190504967
Energy: 0.8351016716071528
Energy: 0.7798690226170278
Energy: 0.7800468151250632
Energy: 0.7807478293686186
Energy: 0.780046815125261
Energy: 0.7806435611944795
Energy: 0.7801093340918984
Energy: 0.7799850360313878
Energy: 0.7801093340917007
Energy: 1.4688287510774152
Energy: 0.7803254827833134
Energy: 0.7799585430586333
Energy: 0.780325482782742
Energy: 0.7800953257631804
Energy: 0.7803004363425713
Energy: 0.7807604448278984
Energy: 0.7803004363429669
Energy: 0.7801912332858985
Energy: 0.780299902535753
Energy: 1.305394833900649
Energy: 0.7802999025359507
Energy: 0.9879085121556812
Energy: 0.7801780476553328
Energy: 0.709479586680802
Energy: 0.780178047655135
Energy: 0.9873130747425201
Energy: 0.7094104700220091
Energy: 0.709536106707752
Energy: 0.7094104700220091
Energy: 0.780873678028303
Energy: 0.897066088935299
Energy: 1.3068178015564926
Energy: 0.897066088935299
Energy: 0.7805131840920753
Energy: 0.7092354636488674
Energy: 0.8648344628117138
Energy: 0.7092354636490431
Energy: 0.9870168710871805
Energy: 0.7803080256345671
Energy: 0.7804524510583196
Energy: 0.7803080256343914
Energy: 0.8650681937665363
Energy: 0.8209706831878254
Energy: 0.8649740917478714
Energy: 0.8209706831878254
Energy: 0.7804440504151914
Energy: 0.7803483130832046
Energy: 0.9870168710881474
Energy: 0.780348313083776
Energy: 0.8651436203425878
Energy: 0.709316916692219
Energy: 0.7805935847131319
Energy: 0.7093169166918455
Energy: 1.3068064587570005
Energy: 0.8971868821276573
Energy: 0.7808890221252933
Energy: 0.8971868821278332
Energy: 0.7093299957289998
Energy: 0.70938089517854
Energy: 0.9873130747421245
Energy: 0.70938089517854
Energy: 0.7096572660585105
Energy: 0.7802773904400049
Energy: 0.9879085121556812
Energy: 0.78027739043906
Energy: 1.3053403249622242
Energy: 0.7801277461605794
Energy: 0.7804312987356377
Energy: 0.7801277461601841
Energy: 0.7801744395540675
Energy: 0.7804638101019534
Energy: 0.7801160340254546
Energy: 0.7804638101019534

minimum gb energy = 0.7092354636488674 eV
minimum distance =  2.33971901416214 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 0.8658418310665755
Energy: 1.0216092365968008
Energy: 2.2800515710055413
Energy: 1.0216092365970182
Energy: 1.1424598739495155
Energy: 0.9438517211535372
Energy: 0.9242208950328514
Energy: 0.9438517211537546
Energy: 1.0301427326638202
Energy: 0.8904553650015059
Energy: 0.919199610661404
Energy: 0.8904553650005276
Energy: 0.8478992336945429
Energy: 0.9438807796963193
Energy: 0.9141791745019092
Energy: 0.9438807796257996
Energy: 0.9909970378706231
Energy: 0.9439341375890666
Energy: 1.170913222662274
Energy: 0.9439341375898004
Energy: 1.2395776606697098
Energy: 0.8823636523228324
Energy: 0.8826691421228122
Energy: 0.8823636523223433
Energy: 1.0090061167961757
Energy: 0.9444147675792883
Energy: 0.882002707564252
Energy: 0.9444147675797775
Energy: 0.9914821537361423
Energy: 0.981737306341203
Energy: 1.1706540203053728
Energy: 0.981737306340741
Energy: 1.0109764919142001
Energy: 0.8829209907015847
Energy: 0.8845823884006571
Energy: 0.8829209907015847
Energy: 1.0109161589729743
Energy: 0.8837558926923346
Energy: 0.8824196548287441
Energy: 0.8837558926923346
Energy: 0.9940106224975217
Energy: 0.944884310632114
Energy: 1.1906292605904896
Energy: 0.9448843106328478
Energy: 0.9904660457619774
Energy: 0.8824267229166967
Energy: 0.87581508604045
Energy: 0.8824267229181368
Energy: 1.113824077735363
Energy: 0.8751755032347971
Energy: 0.8956609324730849
Energy: 0.8751755032345525
Energy: 1.1531715505592028
Energy: 0.8830206247510559
Energy: 1.085981853702596
Energy: 0.8830206247505669
Energy: 1.153511048168051
Energy: 0.882652591161249
Energy: 1.0847021513964
Energy: 0.882652591159836
Energy: 1.1276483484381443
Energy: 0.8774915839973204
Energy: 0.8956935219440558
Energy: 0.8774915839970758
Energy: 0.9914634549026562
Energy: 0.8827996427624586
Energy: 0.8962984716423675
Energy: 0.8827996427627032

minimum gb energy = 0.8478992336945429 eV
minimum distance =  2.31841799509545 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 1.2839296726220966
Energy: 0.9118984853844689
Energy: 2.1913195392701383
Energy: 0.9118984853695707
Energy: 1.2400591857974956
Energy: 1.0241172721316762
Energy: 1.0149922565690932
Energy: 1.0241172721316762
Energy: 1.1197558644287713
Energy: 0.986276273346263
Energy: 0.9649019028912584
Energy: 0.986276273346263
Energy: 0.9556783189717152
Energy: 0.9510920310396885
Energy: 1.014854798738039
Energy: 0.9510920310410429
Energy: 0.9878253736078804
Energy: 0.9969755684708287
Energy: 1.1080914011302645
Energy: 0.9969755684708287
Energy: 1.1576953281502136
Energy: 0.9216178751404503
Energy: 0.9662880485320641
Energy: 0.921617875143159
Energy: 1.081569256540846
Energy: 0.9540763610286299
Energy: 1.08148869749113
Energy: 0.9540763610286299
Energy: 0.9992864237207773
Energy: 0.9504667013406852
Energy: 1.210983781686182
Energy: 0.9504667013406852
Energy: 0.9804208944759818
Energy: 1.0045585165900317
Energy: 0.9370486418062179
Energy: 1.0045585165886775
Energy: 1.1379606863698435
Energy: 1.0304095418210073
Energy: 1.0220268029042152
Energy: 1.030409541819653
Energy: 0.9815928839238323
Energy: 0.9785130615693032
Energy: 1.1227592866937308
Energy: 0.9785130615706575
Energy: 1.003229805210224
Energy: 1.0074775657024555
Energy: 1.021754734287099
Energy: 1.0074775657011013
Energy: 1.1684745604301785
Energy: 1.0226117621006567
Energy: 1.0155141098291929
Energy: 1.0226117620993023
Energy: 0.9782960414780966
Energy: 0.9798308393371632
Energy: 1.0269571675178701
Energy: 0.9798308393371632
Energy: 1.0032106578189548
Energy: 1.0684635876727795
Energy: 1.1869835149150259
Energy: 1.068463587671425
Energy: 1.2055578804927833
Energy: 1.0078663412079583
Energy: 0.9292862688309194
Energy: 1.0078663412079583
Energy: 0.9829585899014759
Energy: 1.0046516440714732
Energy: 1.021835196752573
Energy: 1.0046516440687645
Energy: 0.9779663475729964
Energy: 1.0348845550976202
Energy: 1.0909787783495837
Energy: 1.0348845550976202
Energy: 1.0495469639901571
Energy: 1.029403053727819
Energy: 1.07749387947637
Energy: 1.0294030537291734
Energy: 1.1521613375595696
Energy: 1.0283004716516857
Energy: 1.0784722183060043
Energy: 1.0283004716516857
Energy: 0.9457124939350703
Energy: 1.0417813194476442
Energy: 1.164771112136406
Energy: 1.0417813194476442
Energy: 0.9639210809299401
Energy: 1.00425035292374
Energy: 1.0076174001129246
Energy: 1.00425035292374
Energy: 1.1383089099900972
Energy: 0.9847785582528797
Energy: 1.0061290064958444
Energy: 0.9847785582528797
Energy: 1.0667529454365958
Energy: 0.9203267197766424
Energy: 1.1163416902882197
Energy: 0.9203267197779968
Energy: 1.0666204129305297
Energy: 0.921569651411831
Energy: 1.101204484680631
Energy: 0.9215696514131854
Energy: 1.134297883301933
Energy: 0.9845320408517284
Energy: 1.0080100868470894
Energy: 0.9845320408503742
Energy: 0.9662200280102375
Energy: 1.0054435044691314
Energy: 1.0108723658973249
Energy: 1.0054435044691314
Energy: 0.9537897860601894
Energy: 0.9515565009181098
Energy: 1.1728624190946184
Energy: 0.9515565009194336
Energy: 1.1193728383356638
Energy: 1.0280154293829475
Energy: 1.0797166689636382
Energy: 1.028015429384302
Energy: 1.0580520648015863
Energy: 1.03041613816319
Energy: 0.9648251562128425
Energy: 1.0304161381645442

minimum gb energy = 0.9118984853695707 eV
minimum distance =  2.31060121357702 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 1.0384849428260283
Energy: 1.0391452841892048
Energy: 2.440612365548702
Energy: 1.0391452841892048
Energy: 1.091757112269239
Energy: 1.0386096200724408
Energy: 1.0382281569785705
Energy: 1.0386096200708819
Energy: 1.0392190145357687
Energy: 1.1428946347773863
Energy: 1.1102911972073235
Energy: 1.1428946347779887
Energy: 1.1104164639448615
Energy: 1.1423739104281687
Energy: 1.0394351368885937
Energy: 1.1423739104281687
Energy: 1.0380518918535344
Energy: 1.038929237941714
Energy: 1.0916858991351643
Energy: 1.0389292379426351
Energy: 1.4374406464349734
Energy: 1.0391452841901612
Energy: 1.0384849428260283
Energy: 1.0391452841888857
Energy: 1.0382281569785705
Energy: 1.0386096200708819
Energy: 1.0917571122686014
Energy: 1.0386096200705983
Energy: 1.1102911972073235
Energy: 1.1428946347773863
Energy: 1.0392189149006938
Energy: 1.1428946347777051
Energy: 1.0394466937571407
Energy: 1.1423739104288064
Energy: 1.1104164639451806
Energy: 1.1423739104281687
Energy: 1.0916858991351643
Energy: 1.038929237942316
Energy: 1.038051891852932
Energy: 1.0389292379426351
Energy: 1.0384849428263114
Energy: 1.0391452841886024
Energy: 1.4381973422925616
Energy: 1.0391452841901612
Energy: 1.0917571122689202
Energy: 1.0386096200705983
Energy: 1.0382281569782514
Energy: 1.0386096200702795
Energy: 1.0392226351907785
Energy: 1.1428946347777051
Energy: 1.1102911972070044
Energy: 1.1428946347773863

minimum gb energy = 1.038051891852932 eV
minimum distance =  2.33193796964335 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 1.1211488419472462
Energy: 1.0872012639363893
Energy: 2.055970558896356
Energy: 1.0872012639363893
Energy: 1.2273916705106527
Energy: 1.0507490158363
Energy: 1.1791148779299754
Energy: 1.0507490158363
Energy: 1.110629356926737
Energy: 1.069642757528412
Energy: 1.0671644789564005
Energy: 1.069642757527258
Energy: 1.0695783387021345
Energy: 1.1078237517436083
Energy: 1.163231009712505
Energy: 1.1078237517424543
Energy: 1.1587143352293496
Energy: 1.0517665181685205
Energy: 1.2163790539912116
Energy: 1.0517665181685205
Energy: 1.329053056331599
Energy: 1.1686904451598137
Energy: 1.1238243271341701
Energy: 1.1686904451598137
Energy: 1.1671128420795227
Energy: 1.1368179718557707
Energy: 1.2322236124740915
Energy: 1.1368179718580265
Energy: 1.0485710525859029
Energy: 1.094761284789205
Energy: 1.107137089239019
Energy: 1.094761284789205
Energy: 1.1394221054826696
Energy: 1.0748770010974749
Energy: 1.1115162453720906
Energy: 1.074877001098629
Energy: 1.153546010934738
Energy: 1.0694864145156628
Energy: 1.1562035537069446
Energy: 1.0694864145156628
Energy: 1.0562984567987952
Energy: 1.1836405037314983
Energy: 1.3190404819387709
Energy: 1.1836405037303444
Energy: 1.2939785008258378
Energy: 1.1444728671375963
Energy: 1.1215175352551352
Energy: 1.1444728671375963
Energy: 1.1233320704082979
Energy: 1.0682770172419087
Energy: 1.069126884181136
Energy: 1.0682770172592193
Energy: 1.1411356093490839
Energy: 1.1057574612371315
Energy: 1.1807639107248904
Energy: 1.1057574612371315
Energy: 1.1249581238850757
Energy: 1.093592965414245
Energy: 1.0928231264241424
Energy: 1.0935929654165533
Energy: 1.326070425214092
Energy: 1.0710419225699264
Energy: 1.0815986546388356
Energy: 1.0710419225687724
Energy: 1.1377933537881921
Energy: 1.070019766125823
Energy: 1.31689800184066
Energy: 1.070019766125823
Energy: 1.0590542870691324
Energy: 1.068359765880453
Energy: 1.1545258478925804
Energy: 1.068359765879299
Energy: 1.2625888587164924
Energy: 1.092739089251028
Energy: 1.1056503988958428
Energy: 1.0927390892521822
Energy: 1.1166653584982413
Energy: 1.0680627987087672
Energy: 1.1116568198050092
Energy: 1.068062798706459
Energy: 1.0581396456567032
Energy: 1.0928137102377589
Energy: 1.3163034090727852
Energy: 1.092813710238913
Energy: 1.2419565056590038
Energy: 1.051448272541941
Energy: 1.1504327154371754
Energy: 1.0514482725430951
Energy: 1.2206934204775266
Energy: 1.0575622716012083
Energy: 1.1213767882323256
Energy: 1.057562271596592
Energy: 1.1159729708633748
Energy: 1.1029981240681448
Energy: 1.2896886408060384
Energy: 1.1029981240669908
Energy: 1.084940336078202
Energy: 1.094110393113683
Energy: 1.0879821039421862
Energy: 1.0941103931125291
Energy: 1.249490379698035
Energy: 1.1250488341041556
Energy: 1.0852363427527623
Energy: 1.1250488341041556
Energy: 1.2259208613459944
Energy: 1.040808737206028
Energy: 1.3052504815596748
Energy: 1.040808737204874
Energy: 1.1176943792456995
Energy: 1.041840428873034
Energy: 1.2999794666614006
Energy: 1.041840428873034
Energy: 1.2801766857402257
Energy: 1.1235105090722983
Energy: 1.087328959758231
Energy: 1.1235105090722983
Energy: 1.0726671396350496
Energy: 1.094044290100637
Energy: 1.0854938101149332
Energy: 1.0940442901017913
Energy: 1.1136971014658352
Energy: 1.1052836175271286
Energy: 1.311158153387968
Energy: 1.1052836175271286
Energy: 1.2209930539951657
Energy: 1.051934991403646
Energy: 1.1238010621775911
Energy: 1.051934991403646
Energy: 1.325899349547408
Energy: 1.0515266288973273
Energy: 1.145840799315004
Energy: 1.0515266288961733
Energy: 1.0673352075283924
Energy: 1.0922033940250093
Energy: 1.3161437085758074
Energy: 1.0922033940250093
Energy: 1.1142887669035746
Energy: 1.0713834697266815
Energy: 1.1040700746762169
Energy: 1.0713834697255273

minimum gb energy = 1.040808737204874 eV
minimum distance =  2.29575207198998 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 1.1304166110332619
Energy: 1.145034685251138
Energy: 2.1030493714368896
Energy: 1.1450346852509714
Energy: 1.1144515140241997
Energy: 1.1529346112260332
Energy: 1.1693303233501826
Energy: 1.152934611226387
Energy: 1.127460380438943
Energy: 1.12352182825215
Energy: 1.0440175670704244
Energy: 1.1235218282519626
Energy: 1.1043907601007363
Energy: 1.0514507499012504
Energy: 1.1475367660205358
Energy: 1.0514507499014167
Energy: 1.2479373146822506
Energy: 1.052402598902987
Energy: 1.1545786415214543
Energy: 1.0524025989028
Energy: 1.4077694699434928
Energy: 1.187884399035871
Energy: 1.0196755814919791
Energy: 1.1878843990356838
Energy: 1.13975356438254
Energy: 1.1445572602952159
Energy: 1.1804655763331875
Energy: 1.1445572602952159
Energy: 1.0516266011812205
Energy: 1.051983475359885
Energy: 1.2192606057093016
Energy: 1.051983475359885
Energy: 1.2405993802157587
Energy: 1.1246959968910446
Energy: 1.205969624304324
Energy: 1.1246959968908572
Energy: 1.091023164703405
Energy: 1.1232268234020724
Energy: 1.1717099337335903
Energy: 1.1232268234018852
Energy: 1.0708674576950237
Energy: 1.052010870241754
Energy: 1.410446650896716
Energy: 1.0520108702419209
Energy: 1.2585401161815548
Energy: 1.051648289160374
Energy: 1.1771523408096638
Energy: 1.051648289160187
Energy: 1.245642757631003
Energy: 1.0516003879817681
Energy: 1.0181767008992928
Energy: 1.0516003879810398
Energy: 1.1278775414703304
Energy: 1.1139210070372234
Energy: 1.3630373632787505
Energy: 1.113921007036849
Energy: 1.099424247827791
Energy: 1.0513571678290428
Energy: 1.1465224401840513
Energy: 1.0513571678290428
Energy: 1.2654144931407059
Energy: 1.1231407808492964
Energy: 1.0614044700307157
Energy: 1.12314078084913
Energy: 1.116047378412913
Energy: 1.0182409621316375
Energy: 1.3699570647207746
Energy: 1.018240962131076
Energy: 1.1147463275841296
Energy: 1.01837325436498
Energy: 1.3623736442240224
Energy: 1.0183732543651671
Energy: 1.2830945543161039
Energy: 1.123303353654898
Energy: 1.1462023813911222
Energy: 1.1233033536579982
Energy: 1.128460579274458
Energy: 1.051123107342288
Energy: 1.06124731562765
Energy: 1.0511231073421214
Energy: 1.1279237679405096
Energy: 1.1145562705586292
Energy: 1.2780975943522102
Energy: 1.1145562705590035
Energy: 1.2450577930835836
Energy: 1.0508355610431401
Energy: 1.0394530974286986
Energy: 1.0508355610427653

minimum gb energy = 1.0181767008992928 eV
minimum distance =  2.29874263701971 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 1.1792234974372893
Energy: 1.1601499629448793
Energy: 2.020660670575284
Energy: 1.160149962946174
Energy: 1.143449681366993
Energy: 1.0741350519423738
Energy: 1.143174472288019
Energy: 1.074135051941079
Energy: 1.144805340481974
Energy: 1.0732133748962327
Energy: 1.074957525974853
Energy: 1.0732133748962327
Energy: 1.1367289659743016
Energy: 1.0137759932686299
Energy: 1.1244945705069773
Energy: 1.0137759932699244
Energy: 1.223472491125159
Energy: 1.0733454266096416
Energy: 1.0126877638339333
Energy: 1.0733454266083469
Energy: 1.4517222344766265
Energy: 1.0139121922783836
Energy: 1.0156335441591822
Energy: 1.0139121922809728
Energy: 1.0146444845504248
Energy: 1.1289602505995069
Energy: 1.2466304818385747
Energy: 1.1289602505995069
Energy: 1.0158878630218986
Energy: 1.014042622663726
Energy: 1.2228787137482298
Energy: 1.014042622663726
Energy: 1.2117634123971521
Energy: 1.0753822247736153
Energy: 1.1447402172465881
Energy: 1.0753822247723206
Energy: 1.1241237225006324
Energy: 1.0143952964462208
Energy: 1.1375778714324731
Energy: 1.0143952964475154
Energy: 1.1269561912765256
Energy: 1.074873031296549
Energy: 1.2224861912421412
Energy: 1.0748730312978438
Energy: 1.3900082008844294
Energy: 1.0143244311740476
Energy: 1.14301556941671
Energy: 1.014324431175342
Energy: 1.3892492526420785
Energy: 1.014247090243618
Energy: 1.142641060657601
Energy: 1.014247090243618
Energy: 1.13059145423088
Energy: 1.0780567183147982
Energy: 1.297524789602097
Energy: 1.0780567183147982
Energy: 1.127350418696362
Energy: 1.0151435655745191
Energy: 1.1316052253346094
Energy: 1.015143565575814
Energy: 1.2129522792539995
Energy: 1.1850089566061521
Energy: 1.1426024920153484
Energy: 1.1850089565957944
Energy: 1.0132021993156455
Energy: 1.014812511240013
Energy: 1.223044209893572
Energy: 1.0148125112464865
Energy: 1.0142119465868669
Energy: 1.0747034525658345
Energy: 1.2918011063157535
Energy: 1.0747034525658345
Energy: 1.451414174465476
Energy: 1.0147280016263027
Energy: 1.0154623516179055
Energy: 1.0147280016275972
Energy: 1.22301056737906
Energy: 1.0745430359035386
Energy: 1.013488197076268
Energy: 1.0745430359022439
Energy: 1.1414426951081558
Energy: 1.1416278515405596
Energy: 1.125515053307963
Energy: 1.1416278515405596
Energy: 1.1425355754625754
Energy: 1.0743257204639376
Energy: 1.0775336034595737
Energy: 1.0743257204639376
Energy: 1.1711091392239767
Energy: 1.1384300812036923
Energy: 1.1256130009202687
Energy: 1.1384300812036923
Energy: 1.1479768633919631
Energy: 1.1562739533430604
Energy: 1.389119236130615
Energy: 1.156273953344355
Energy: 1.1491203467203523
Energy: 1.0131983695876015
Energy: 1.141259407318458
Energy: 1.0131983695876015
Energy: 1.2224680600140023
Energy: 1.0740730379863652
Energy: 1.1024629307392022
Energy: 1.0740730379876602
Energy: 1.1341940297076292
Energy: 1.0134378375215953
Energy: 1.1242371410798142
Energy: 1.0134378375306583
Energy: 1.2234418059349563
Energy: 1.0742754265054533
Energy: 1.213720297036746
Energy: 1.0742754265054533
Energy: 1.2257320783878802
Energy: 1.014990890259949
Energy: 1.0129349668883658
Energy: 1.0149908902586542
Energy: 1.2488243820428797
Energy: 1.1723668429270224
Energy: 1.2474134508556871
Energy: 1.1723668429270224
Energy: 1.012770846207181
Energy: 1.0131725099347824
Energy: 1.225732078437049
Energy: 1.0131725099347824

minimum gb energy = 1.0126877638339333 eV
minimum distance =  2.31155972197479 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 0.8842156495056481
Energy: 1.1274257088954827
Energy: 2.0161036145446656
Energy: 1.1274257088954827
Energy: 1.1750462989120283
Energy: 0.9982502439546604
Energy: 0.9958703749462732
Energy: 0.9982502439542346
Energy: 1.322793572327767
Energy: 0.9602148744743905
Energy: 0.9609921073147737
Energy: 0.9602148744743905
Energy: 1.2387579101717654
Energy: 1.0603110871344457
Energy: 0.9603957115809867
Energy: 1.0603110871348966
Energy: 1.208418629425234
Energy: 1.05942949911337
Energy: 0.9609966087472216
Energy: 1.05942949911337
Energy: 1.3218240440069118
Energy: 0.9606952663140059
Energy: 0.9605497422236813
Energy: 0.960695266313129
Energy: 1.1771433500779431
Energy: 0.9604844219696512
Energy: 1.4858655246966581
Energy: 0.9604844219701022
Energy: 0.8830319509630332
Energy: 0.9607633773380487
Energy: 1.4870706689204347
Energy: 0.9607633773375979
Energy: 1.217019062477936
Energy: 0.9974106930439175
Energy: 0.9967245417582334
Energy: 0.9974106930434664

minimum gb energy = 0.8830319509630332 eV
minimum distance =  2.34608280050392 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 1.0144496029173717
Energy: 1.0648319270788924
Energy: 1.7180940610959523
Energy: 1.0648319270788924
Energy: 1.1533058105993728
Energy: 1.0664535647356959
Energy: 1.0529024846611712
Energy: 1.0664535647356959
Energy: 1.0134712927608052
Energy: 1.1123170475747672
Energy: 0.9782241943579132
Energy: 1.112317047573544
Energy: 1.0134053769594977
Energy: 0.9930929523079165
Energy: 1.0123252179074833
Energy: 0.9930929523091395
Energy: 0.9446577400992483
Energy: 1.1058044355480865
Energy: 0.9618436312528482
Energy: 1.1058044355480865
Energy: 1.0633792773581503
Energy: 1.0808971657130009
Energy: 0.9660169844225798
Energy: 1.0808971657130009
Energy: 1.0096641470852574
Energy: 1.1024886852005684
Energy: 1.104793117665225
Energy: 1.1024886852005684
Energy: 1.009674374797556
Energy: 1.1026135121322174
Energy: 1.2131162495545194
Energy: 1.1026135121334404
Energy: 1.3286184721851235
Energy: 0.9463126804104407
Energy: 1.0011817892890618
Energy: 0.9463126804104407
Energy: 1.2123251530752885
Energy: 0.9458017841565513
Energy: 1.0013211507434339
Energy: 0.9458017841553283
Energy: 0.9923888333180413
Energy: 1.0067340722675426
Energy: 1.033917279635126
Energy: 1.0067340722675426
Energy: 0.9904879545994006
Energy: 1.0998308272390502
Energy: 0.9757261259292216
Energy: 1.0998308272390502
Energy: 1.1335326494124038
Energy: 1.0359259630118463
Energy: 0.9740724578579854
Energy: 1.0359259630130693
Energy: 0.9449558298936088
Energy: 1.103993696445658
Energy: 0.9742808458939509
Energy: 1.103993696445658
Energy: 0.9844713109419978
Energy: 0.9628812227888314
Energy: 1.1164509060297567
Energy: 0.9628812227876083
Energy: 1.25546097670094
Energy: 1.0757783664584857
Energy: 1.0107457774236324
Energy: 1.0757783664597087
Energy: 1.1302662306947056
Energy: 0.9911274560429523
Energy: 1.0950768846316037
Energy: 0.9911274560429523
Energy: 0.9683812828929962
Energy: 1.088794445088098
Energy: 1.217812674287856
Energy: 1.088794445088098
Energy: 1.0391046542363935
Energy: 0.9616505289573309
Energy: 1.0443237326356263
Energy: 0.961650528958554
Energy: 0.9932462631820351
Energy: 1.1124469414071458
Energy: 0.963092454942599
Energy: 1.1124469414071458
Energy: 0.9943517042565256
Energy: 0.991648937192554
Energy: 1.020822308439004
Energy: 0.991648937192554
Energy: 1.0654742067893317
Energy: 1.1156379208369094
Energy: 0.9754876928378219
Energy: 1.1156379208369094
Energy: 1.013291491521662
Energy: 1.1077367304741579
Energy: 0.9706323467338205
Energy: 1.1077367304741579
Energy: 1.0677759341848576
Energy: 0.9400987928708403
Energy: 1.266398862375644
Energy: 0.9400987928708403
Energy: 1.0749578399253228
Energy: 1.012654262049918
Energy: 1.2748919695994159
Energy: 1.012654262049918
Energy: 1.1316343091151986
Energy: 1.1428842136159654
Energy: 0.9763368172431616
Energy: 1.1428842136171884
Energy: 1.0406127335372326
Energy: 1.1081312744821479
Energy: 0.970652314918544
Energy: 1.1081312744821479
Energy: 0.9913194091818659
Energy: 1.0459832872432353
Energy: 1.1439992035613251
Energy: 1.045983287244458
Energy: 0.9950751471568788
Energy: 1.1121480092101577
Energy: 0.9617753714104639
Energy: 1.1121480092101577
Energy: 1.1250318389496075
Energy: 1.046865240944042
Energy: 1.0139975539807464
Energy: 1.046865240944042
Energy: 0.9888297827398587
Energy: 1.088806835472965
Energy: 1.1015572810795664
Energy: 1.0888068354741878
Energy: 1.0426164359526602
Energy: 0.9450936394435855
Energy: 1.2008301765687948
Energy: 0.9450936394435855
Energy: 1.3424812507321264
Energy: 1.0271026663949923
Energy: 1.006358716486865
Energy: 1.027102666396215

minimum gb energy = 0.9400987928708403 eV
minimum distance =  2.31288057836519 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 0.9264641721947467
Energy: 1.013177329694773
Energy: 1.805937241959465
Energy: 1.013177329694773
Energy: 0.9048560916905006
Energy: 0.9884487454420244
Energy: 0.9731471296316898
Energy: 0.9884487454420244
Energy: 1.1146337457195177
Energy: 1.0971734321440951
Energy: 1.0448103903524708
Energy: 1.0971734321440951
Energy: 0.9734380667299648
Energy: 1.0788440932403247
Energy: 0.9821755399620855
Energy: 1.0788440932403247
Energy: 0.9228761569433311
Energy: 0.9848466902204106
Energy: 0.9228169436697963
Energy: 0.9848466902204106
Energy: 0.9725870985816403
Energy: 0.9229040644358139
Energy: 0.9228389938400025
Energy: 0.9229040644358139
Energy: 0.9839487272623196
Energy: 1.0625611071021726
Energy: 1.1141992804504806
Energy: 1.0625611070987906
Energy: 0.9833056820897607
Energy: 1.0639139724566595
Energy: 1.1142398019375512
Energy: 1.0639139724566595
Energy: 1.1879694477243188
Energy: 0.9844542737624796
Energy: 0.9133004224902346
Energy: 0.9844542737624796
Energy: 1.187969447720937
Energy: 0.9842560339076977
Energy: 0.9133073160380218
Energy: 0.9842560339076977
Energy: 0.9831329492148254
Energy: 1.0638788077871408
Energy: 1.1142398019375512
Energy: 1.0638788077871408
Energy: 0.984346167278743
Energy: 1.0625630652728197
Energy: 1.1141992804504806
Energy: 1.0625630652728197
Energy: 0.9722911942013108
Energy: 0.9229274557791028
Energy: 0.9230478511233363
Energy: 0.9229274557791028
Energy: 0.9228681048475494
Energy: 0.9849424172924931
Energy: 0.9228524898631404
Energy: 0.9849424172924931
Energy: 0.9744783407507442
Energy: 1.078791980825597
Energy: 0.9823981012607378
Energy: 1.078791980825597
Energy: 1.1146337457195177
Energy: 1.0971440314281244
Energy: 0.9819558312317488
Energy: 1.0971440314281244
Energy: 0.9049961282157639
Energy: 0.988508162830342
Energy: 0.973129709277453
Energy: 0.988508162830342
Energy: 0.9264641721947467
Energy: 1.013177329694773
Energy: 1.4145214634634729
Energy: 1.013177329694773
Energy: 0.9048560916938827
Energy: 0.9884487454420244
Energy: 0.9731471296316898
Energy: 0.9884487454420244
Energy: 1.1146337457195177
Energy: 1.0971734321440951
Energy: 1.0448103903524708
Energy: 1.0971734321440951
Energy: 0.9734380667316559
Energy: 1.0788440932403247
Energy: 0.9821755399620855
Energy: 1.0788440932403247
Energy: 0.9228761569433311
Energy: 0.9848466902204106
Energy: 0.9228169436697963
Energy: 0.9848466902204106
Energy: 0.9725870985816403
Energy: 0.9229040644358139
Energy: 0.9228389938400025
Energy: 0.9229040644358139
Energy: 0.9839487272640105
Energy: 1.0625611070852627
Energy: 1.1141992804504806
Energy: 1.0625611070818806

minimum gb energy = 0.9048560916905006 eV
minimum distance =  2.30994411346091 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 1.0465426910067732
Energy: 1.016048960104786
Energy: 1.61989740107659
Energy: 1.0160489601037408
Energy: 1.0772935403631698
Energy: 0.9044289469195216
Energy: 1.062145428334512
Energy: 0.904428946921612
Energy: 0.9733547362134137
Energy: 1.0569452457151856
Energy: 0.9329172173757356
Energy: 1.0569452457151856
Energy: 0.9438474776345166
Energy: 0.9384015230592819
Energy: 1.0582009789827278
Energy: 0.9384015230571917
Energy: 0.9318648783555304
Energy: 1.064804637073105
Energy: 0.9504674852873919
Energy: 1.064804637073105
Energy: 0.9676401997266396
Energy: 0.9458138201683465
Energy: 0.9517784735202913
Energy: 0.9458138201662561
Energy: 0.9287435834234141
Energy: 1.0743283413662934
Energy: 0.9466418739433734
Energy: 1.0743283413642033
Energy: 0.9291542730057522
Energy: 1.0901188965186293
Energy: 0.9645918538541657
Energy: 1.0901188965186293
Energy: 1.1070891854841391
Energy: 1.0131661345398442
Energy: 1.0308709370208315
Energy: 1.0131661345408896
Energy: 1.17594548452232
Energy: 1.0138759091272669
Energy: 1.0282685788170685
Energy: 1.013875909128312
Energy: 0.9762738933565435
Energy: 1.0213489904002433
Energy: 1.1523474223233194
Energy: 1.0213489904002433
Energy: 0.9746878264810371
Energy: 1.0223202510736635
Energy: 0.9631362952819036
Energy: 1.0223202510757539
Energy: 0.9766274571011865
Energy: 1.0193113780180836
Energy: 0.9434614712223638
Energy: 1.0193113780170384
Energy: 0.9357385152554307
Energy: 1.0722852284407394
Energy: 0.9447282207197181
Energy: 1.0722852284407394
Energy: 0.9412346426774649
Energy: 1.0068217505565933
Energy: 0.9471144689416584
Energy: 1.0068217505576385
Energy: 0.9431833475287725
Energy: 1.0743824785188751
Energy: 0.916589224915236
Energy: 1.0743824785209655
Energy: 1.0394574670570993
Energy: 0.916174145308116
Energy: 0.9799056657996247
Energy: 0.916174145308116
Energy: 0.9763596480525306
Energy: 1.0477802656576458
Energy: 1.1589081359013726
Energy: 1.047780265658691
Energy: 1.0461944255721751
Energy: 1.0582729912126392
Energy: 1.043413542272191
Energy: 1.0582729912136846
Energy: 1.2518279661287226
Energy: 1.0164536474989672
Energy: 0.9887685341878848
Energy: 1.0164536474989672
Energy: 0.9757142196849464
Energy: 1.1367862756177054
Energy: 1.0798045381072716
Energy: 1.136786275619796
Energy: 0.9363911113376057
Energy: 1.0558599583188195
Energy: 0.9539089537535363
Energy: 1.0558599583188195
Energy: 1.0314766794837957
Energy: 0.9509021261168773
Energy: 0.9876146911852759
Energy: 0.9509021261179225
Energy: 0.9267483806706054
Energy: 1.0741235355089218
Energy: 0.914407803874039
Energy: 1.0741235355078766
Energy: 0.9319052693907508
Energy: 0.9674413149280203
Energy: 0.9978398690005679
Energy: 0.9674413149269753
Energy: 0.9753400570158159
Energy: 1.054791695781065
Energy: 0.9229575102391235
Energy: 1.05479169578211
Energy: 0.9302267376180757
Energy: 1.0732383139013548
Energy: 0.9818057678870074
Energy: 1.0732383139003094
Energy: 1.031009067542379
Energy: 0.8962777415712289
Energy: 1.2076926995770125
Energy: 0.8962777415712289
Energy: 1.0233384975523667
Energy: 0.8973247693009084
Energy: 1.2039677100841184
Energy: 0.8973247692977729
Energy: 0.9743681192441792
Energy: 1.0538593671065453
Energy: 0.9230849020088091
Energy: 1.0538593671075904
Energy: 0.9763972870201743
Energy: 1.0723628887854766
Energy: 0.9819969714103888
Energy: 1.0723628887844314
Energy: 0.9268346577141834
Energy: 1.0915476047020924
Energy: 0.9476316849516134
Energy: 1.0915476047020924
Energy: 0.932889902125064
Energy: 1.0834855698255845
Energy: 0.9137814943876988
Energy: 1.0834855698255845
Energy: 1.0032687094862334
Energy: 1.0120221031864842
Energy: 0.9540625827996914
Energy: 1.0120221031864842
Energy: 0.934246726271871
Energy: 1.0551340753497707
Energy: 0.963270479414371
Energy: 1.0551340753487257
Energy: 1.0051420298196008
Energy: 0.9018755364829264
Energy: 1.0407121272626703
Energy: 0.9018755364839715
Energy: 1.293326689774754
Energy: 1.0137205939151728
Energy: 0.9856832027782583
Energy: 1.0137205939151728
Energy: 1.0522165009722664
Energy: 1.0574697407463898
Energy: 1.0617229884889923
Energy: 1.0574697407453444

minimum gb energy = 0.8962777415712289 eV
minimum distance =  2.29231566278743 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 1.1167391553330885
Energy: 0.959664675110443
Energy: 1.6808400016073632
Energy: 0.959664675110443
Energy: 0.9554127688161207
Energy: 1.092975426883583
Energy: 0.9547797712553905
Energy: 1.0929754268833032
Energy: 1.0760982322458827
Energy: 0.9597038727524747
Energy: 0.834669948432872
Energy: 0.9597038727516356
Energy: 0.8984412543782643
Energy: 0.9743813685646706
Energy: 1.0020538789837807
Energy: 0.9743813685649502
Energy: 0.8879474606905147
Energy: 1.037226963643637
Energy: 0.9245785427570018
Energy: 1.0372269636441964
Energy: 0.8868564912131802
Energy: 1.0473550981551671
Energy: 0.9250367647132871
Energy: 1.0473550981557267
Energy: 0.8887400215380384
Energy: 0.9598714094245567
Energy: 0.9242695491554743
Energy: 0.9598714094245567
Energy: 0.8878754733520123
Energy: 0.8875310447508868
Energy: 1.046647732187217
Energy: 0.8875310447508868
Energy: 1.0753866571043866
Energy: 1.035910339864258
Energy: 0.8248217074740334
Energy: 1.035910339864258
Energy: 0.8880198903702088
Energy: 1.0363715853038329
Energy: 0.8434610375351765
Energy: 1.0363715853043922
Energy: 0.9459558234114572
Energy: 0.9047193125242508
Energy: 1.0466091740956027
Energy: 0.9047193125242508
Energy: 0.9478275203828375
Energy: 0.9603987717850878
Energy: 1.0475744349572642
Energy: 0.960398771785647
Energy: 1.0755245750822615
Energy: 1.0359164459562422
Energy: 0.8247092692478086
Energy: 1.0359164459559937
Energy: 1.0758290380251216
Energy: 1.0345126063565981
Energy: 0.824193336476588
Energy: 1.0345126063565981
Energy: 0.8876677319675519
Energy: 0.9732592764027972
Energy: 1.0464363474528329
Energy: 0.9732592764027972

minimum gb energy = 0.824193336476588 eV
minimum distance =  2.32074227752411 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 0.8756130646338312
Energy: 0.9407823953843784
Energy: 1.5030174124047975
Energy: 0.9407823953843784
Energy: 0.9331528013511282
Energy: 0.973004026619777
Energy: 0.8499664970538239
Energy: 0.973004026619777
Energy: 0.9929000919332762
Energy: 0.9397510509722333
Energy: 0.9769552885799972
Energy: 0.9397510509722333
Energy: 0.888388915270082
Energy: 0.921281834814253
Energy: 0.8500801838732733
Energy: 0.9212818348153992
Energy: 0.8200872207543682
Energy: 0.9773211518873427
Energy: 0.914530894369715
Energy: 0.9773211518861964
Energy: 0.9030705436012813
Energy: 0.9476022853437615
Energy: 0.868625056930927
Energy: 0.9476022853426153
Energy: 0.8492528786548367
Energy: 0.9398295605635929
Energy: 0.854023358485905
Energy: 0.9398295605647392
Energy: 0.8702417953405421
Energy: 0.8689982826171221
Energy: 0.869873542123401
Energy: 0.8689982826171221
Energy: 0.907727985902391
Energy: 0.9765760233587835
Energy: 0.8148264309187861
Energy: 0.9765760233587835
Energy: 0.9148582531678673
Energy: 0.976739411325827
Energy: 0.8872884852142887
Energy: 0.976739411325827
Energy: 0.8549171727611633
Energy: 0.9395730087975525
Energy: 0.987268963987463
Energy: 0.9395730087975525
Energy: 0.8504691247985351
Energy: 0.9098198323182715
Energy: 0.8501218280745207
Energy: 0.9098198323171252
Energy: 0.9359662811795502
Energy: 0.8833884869502131
Energy: 0.8615919201602337
Energy: 0.8833884869490668
Energy: 0.9188997894973343
Energy: 0.8820350088257454
Energy: 0.8893452281256845
Energy: 0.8820350088257454
Energy: 0.854993880142861
Energy: 0.9393349474407449
Energy: 0.9851441998712703
Energy: 0.9393349474418912
Energy: 0.8481094781902552
Energy: 0.9384734623362778
Energy: 0.9921789343990648
Energy: 0.938473462337424
Energy: 0.926898855873354
Energy: 0.9765232477873574
Energy: 0.815140884683407
Energy: 0.9765232477873574
Energy: 0.9136488985255508
Energy: 0.9755505596519557
Energy: 0.8862148265890741
Energy: 0.9755505596519557
Energy: 0.8492600654858343
Energy: 0.9419177381957143
Energy: 0.8554109044434298
Energy: 0.9419177381945681
Energy: 0.8554217345651726
Energy: 0.9421084593753688
Energy: 0.8492766647491441
Energy: 0.9421084593742225
Energy: 0.8859835598691043
Energy: 0.9756512561816763
Energy: 0.9145601129538514
Energy: 0.9756512561816763
Energy: 0.815133389722962
Energy: 0.9764851563366291
Energy: 0.926898855873354
Energy: 0.9764851563366291
Energy: 0.9921789344013573
Energy: 0.9384123456124933
Energy: 0.8480473791399713
Energy: 0.9384123456136396
Energy: 0.985144199870124
Energy: 0.9396274011801549
Energy: 0.8549187954818861
Energy: 0.9396274011801549
Energy: 0.8900260563442911
Energy: 0.8822431479305852
Energy: 0.9186478465067008
Energy: 0.8822431479317315
Energy: 0.8610106856720763
Energy: 0.8832607328086174
Energy: 0.9359662811806964
Energy: 0.8832607328086174
Energy: 0.8501266711641254
Energy: 0.9096633862278121
Energy: 0.8504717709936038
Energy: 0.9096633862289583
Energy: 0.9872689639863168
Energy: 0.9397124321838662
Energy: 0.8552231646646387
Energy: 0.9397124321850124
Energy: 0.8872625493733369
Energy: 0.9764640373475962
Energy: 0.9143258033065469
Energy: 0.9764640373475962
Energy: 0.8147860918658667
Energy: 0.9764781693823651
Energy: 0.9077005746056792
Energy: 0.9764781693823651
Energy: 0.8699492487695283
Energy: 0.8688888484903197
Energy: 0.8702212905137778
Energy: 0.8688888484891736
Energy: 0.854041040463135
Energy: 0.9399465663395349
Energy: 0.8492417920770879
Energy: 0.9399465663395349
Energy: 0.8684664904914016
Energy: 0.948440411051973
Energy: 0.9030328414689761
Energy: 0.948440411051973
Energy: 0.914531742548323
Energy: 0.9772902060040504
Energy: 0.8201504437168521
Energy: 0.9772902060040504
Energy: 0.8500709054433359
Energy: 0.9211864578219777
Energy: 0.8882106068390906
Energy: 0.9211864578219777

minimum gb energy = 0.8147860918658667 eV
minimum distance =  2.36357029713351 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 1.0318530315830943
Energy: 0.8670660357135898
Energy: 1.4794128153744244
Energy: 0.8670660357143742
Energy: 0.8416735374886364
Energy: 0.982375187825841
Energy: 0.8181329716572777
Energy: 0.9823751878256393
Energy: 1.0205940264188351
Energy: 0.8777595984843806
Energy: 0.8755438725756678
Energy: 0.8777595984842014
Energy: 0.8733881996091564
Energy: 0.9437819477230758
Energy: 0.8110970687381484
Energy: 0.9437819477232775
Energy: 0.802315591814416
Energy: 0.8765167326970167
Energy: 0.9480770757542865
Energy: 0.8765167326973976
Energy: 0.866488493438496
Energy: 0.9027367713615578
Energy: 0.8301274745766495
Energy: 0.9027367713613785
Energy: 0.8387952870411332
Energy: 0.8785521410180104
Energy: 0.829692413233546
Energy: 0.8785521410176295
Energy: 0.8368479688581227
Energy: 1.0405218925376152
Energy: 0.8311877525408439
Energy: 1.0405218925374136
Energy: 0.8411460694205117
Energy: 0.8776136237099006
Energy: 0.829317105765757
Energy: 0.8776136237092955
Energy: 0.8653584897330876
Energy: 0.9019402941056898
Energy: 0.8311099130843598
Energy: 0.9019402941054881
Energy: 0.777689813696967
Energy: 0.8767201357657252
Energy: 0.9478307714210235
Energy: 0.8767201357653444
Energy: 0.7735125607449561
Energy: 0.9306149022670285
Energy: 0.8597681948177974
Energy: 0.9306149022674094
Energy: 1.0214620343137784
Energy: 0.8769101102072868
Energy: 0.8184860670578308
Energy: 0.8769101102080713
Energy: 0.8057886070672079
Energy: 0.876912858243838
Energy: 0.8180533921760189
Energy: 0.8769128582444431
Energy: 0.8064487284927486
Energy: 0.8656710273728467
Energy: 0.9475300160287935
Energy: 0.8656710273704712
Energy: 0.8063980140898808
Energy: 0.8435815331150844
Energy: 0.8980401217070125
Energy: 0.8435815331148827
Energy: 1.0209281349030503
Energy: 0.8769815833734832
Energy: 0.8183610931788008
Energy: 0.8769815833762395
Energy: 0.8416230390259992
Energy: 0.8761644687336511
Energy: 0.8222920486815595
Energy: 0.8761644687338528
Energy: 0.7779016774420106
Energy: 0.8766422204241351
Energy: 0.9476671324163987
Energy: 0.8766422204241351
Energy: 0.7699698083339062
Energy: 0.9291972081918285
Energy: 0.9483708896507067
Energy: 0.9291972081916268

minimum gb energy = 0.7699698083339062 eV
minimum distance =  2.3153756795871 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 0.7899208688719741
Energy: 0.8126230083021484
Energy: 1.2731670572421279
Energy: 0.8126230083021484
Energy: 0.7788987049430548
Energy: 0.872595108948675
Energy: 0.7837437078173113
Energy: 0.872595108948675
Energy: 0.9176706418834434
Energy: 0.800915537291738
Energy: 0.7813869981922449
Energy: 0.800915537291738
Energy: 0.7517981878598046
Energy: 0.8377915392821443
Energy: 0.7900585243215167
Energy: 0.8377915392821443
Energy: 0.7458227455305053
Energy: 0.8062030172611534
Energy: 0.8529321079641123
Energy: 0.8062030172611534
Energy: 0.7416479152839532
Energy: 0.8376726846594785
Energy: 0.784409326250056
Energy: 0.8376726846594785
Energy: 0.7892283069690025
Energy: 0.8055273447394313
Energy: 0.7559618213038553
Energy: 0.8055273447394313
Energy: 0.7700276908028459
Energy: 0.8136720946833277
Energy: 0.7752707365567313
Energy: 0.8136720946833277
Energy: 0.7605076382579734
Energy: 0.8059579285268326
Energy: 0.7851276659047318
Energy: 0.8059579285268326
Energy: 0.7720099043055467
Energy: 0.8982101818668787
Energy: 0.7713657075323955
Energy: 0.8982101818668787
Energy: 0.752368805677673
Energy: 0.8053528805398406
Energy: 0.7925570740430623
Energy: 0.8053528805413805
Energy: 0.7517831187144091
Energy: 0.8123630623087872
Energy: 0.7741206372175646
Energy: 0.8123630623087872
Energy: 0.7915943207721463
Energy: 0.8057156819529658
Energy: 0.7152596992951394
Energy: 0.8057156819529658
Energy: 0.787359110209659
Energy: 0.8365649749230694
Energy: 0.7148843532106791
Energy: 0.8365649749230694
Energy: 0.6957791697900074
Energy: 0.8052688002438662
Energy: 0.8549515215493853
Energy: 0.8052688002438662
Energy: 0.757361932929835
Energy: 0.8056899757555291
Energy: 0.788489270187357
Energy: 0.8056899757555291
Energy: 0.9143190246560343
Energy: 0.7995772759955299
Energy: 0.7192696297343381
Energy: 0.7995772759955299
Energy: 0.7756991308848562
Energy: 0.810682559095678
Energy: 0.7463825281150193
Energy: 0.810682559095678
Energy: 0.7328883630727719
Energy: 0.8114496679157305
Energy: 0.8564177740796769
Energy: 0.8114496679157305
Energy: 0.7769065259215775
Energy: 0.7795823467293137
Energy: 0.7800689342628759
Energy: 0.7795823467293137
Energy: 0.91479214439496
Energy: 0.7996410333919518
Energy: 0.7196021356411858
Energy: 0.7996410333934917
Energy: 0.8111627260531981
Energy: 0.7923719178373629
Energy: 0.7464820231023729
Energy: 0.7923719178373629
Energy: 0.6957575975442702
Energy: 0.8052851947858265
Energy: 0.8562296182578503
Energy: 0.8052851947858265
Energy: 0.75789219826646
Energy: 0.8060315655946262
Energy: 0.7715823349875434
Energy: 0.8060315655946262
Energy: 0.7923941119602347
Energy: 0.805720629593941
Energy: 0.715400148752878
Energy: 0.805720629593941
Energy: 0.8362943566576392
Energy: 0.8370358950932018
Energy: 0.7120470388039011
Energy: 0.837035895091662

minimum gb energy = 0.6957575975442702 eV
minimum distance =  2.32081774654437 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 0.7639269224394089
Energy: 0.7614217666195479
Energy: 1.131660798539373
Energy: 0.7614217666195479
Energy: 0.7503132778168908
Energy: 0.8419199510535652
Energy: 0.711039178815347
Energy: 0.8419199510535652
Energy: 0.8373671043851156
Energy: 0.7501577814745726
Energy: 0.7173103901984056
Energy: 0.7501577814733101
Energy: 0.7166012147706649
Energy: 0.760019633934816
Energy: 0.7113857207743861
Energy: 0.7600196339360785
Energy: 0.7133603557567132
Energy: 0.7442993646932329
Energy: 0.7849588983956642
Energy: 0.7442993646919706
Energy: 0.7166609637212109
Energy: 0.7985790410771366
Energy: 0.7013073406508629
Energy: 0.7985790410771366
Energy: 0.7764340361120249
Energy: 0.7476109520736081
Energy: 0.6920902568439743
Energy: 0.7476109520736081
Energy: 0.711138727244978
Energy: 0.7012439633434506
Energy: 0.6908397678459659
Energy: 0.7012439633421882
Energy: 0.7027957056074953
Energy: 0.747261593326067
Energy: 0.7407085116937182
Energy: 0.747261593326067
Energy: 0.7115352110569004
Energy: 0.7429103501904475
Energy: 0.7091705082734199
Energy: 0.7429103501904475
Energy: 0.7067515650185136
Energy: 0.7471147754966856
Energy: 0.7285140768878111
Energy: 0.7471147754966856
Energy: 0.7273301990246658
Energy: 0.7324022625421703
Energy: 0.7094971433209223
Energy: 0.7324022625421703
Energy: 0.7456926428977558
Energy: 0.7469017451491045
Energy: 0.6754611490498115
Energy: 0.7469017451491045
Energy: 0.7121210598229724
Energy: 0.7448750023464431
Energy: 0.7097706893410727
Energy: 0.7448750023464431
Energy: 0.6631741360417122
Energy: 0.7470453089190813
Energy: 0.7435281224471071
Energy: 0.7470453089203437
Energy: 0.6633037147399499
Energy: 0.7660454807867632
Energy: 0.7352999689982002
Energy: 0.7660454807867632
Energy: 0.7801855413665763
Energy: 0.7476780420726037
Energy: 0.6529104527936043
Energy: 0.7476780420726037
Energy: 0.7143355108198621
Energy: 0.7477801567799298
Energy: 0.7035301428561405
Energy: 0.7477801567811924
Energy: 0.6970533931720291
Energy: 0.7429329601675895
Energy: 0.7873045395852951
Energy: 0.742932960168852
Energy: 0.6971613431899488
Energy: 0.7383344196742986
Energy: 0.7576789749231642
Energy: 0.7383344196755611
Energy: 0.8352139939396009
Energy: 0.749628964353146
Energy: 0.669425071032489
Energy: 0.749628964353146
Energy: 0.7524048608172288
Energy: 0.7384352183945011
Energy: 0.7149854175429438
Energy: 0.7384352183945011
Energy: 0.7077002065721922
Energy: 0.7620208455428844
Energy: 0.7882880069691534
Energy: 0.7620208455416221
Energy: 0.7198057357405423
Energy: 0.7431495626647683
Energy: 0.7570959119244316
Energy: 0.7431495626647683
Energy: 0.8408735853967433
Energy: 0.7497146028240539
Energy: 0.6696100948082293
Energy: 0.7497146028240539
Energy: 0.7162957018205899
Energy: 0.7491650565735927
Energy: 0.7095924298066091
Energy: 0.7491650565748551
Energy: 0.6966735084064424
Energy: 0.7427939518376772
Energy: 0.788337251494003
Energy: 0.7427939518364147
Energy: 0.6890949034759862
Energy: 0.7540506551509296
Energy: 0.7355871691916243
Energy: 0.7540506551496672
Energy: 0.7755132945457719
Energy: 0.747166092241765
Energy: 0.6531041496814507
Energy: 0.747166092241765
Energy: 0.7155569515224185
Energy: 0.7462531943394792
Energy: 0.6943771845981571
Energy: 0.7462531943394792
Energy: 0.66350645277577
Energy: 0.747066492220852
Energy: 0.7415707260786051
Energy: 0.7470664922195895
Energy: 0.6897413412696205
Energy: 0.76525069721906
Energy: 0.7502400937726477
Energy: 0.76525069721906

minimum gb energy = 0.6529104527936043 eV
minimum distance =  2.32732349798009 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 0.7118733072223903
Energy: 0.7150358861579439
Energy: 1.0272689285773697
Energy: 0.7150358861579439
Energy: 0.6983408301709987
Energy: 0.7746017733467816
Energy: 0.6930248679754473
Energy: 0.7746017733489206
Energy: 0.774721382700089
Energy: 0.7081258258673208
Energy: 0.9462161385742658
Energy: 0.7081258258673208
Energy: 0.6644564663402943
Energy: 0.7555142029794776
Energy: 0.6932441277317868
Energy: 0.7555142029784081
Energy: 0.9401330811284948
Energy: 0.7038018113512022
Energy: 0.7328292732591303
Energy: 0.7038018113501328
Energy: 0.6642907056234632
Energy: 0.6932748409227568
Energy: 0.6686706000667852
Energy: 0.6932748409238263
Energy: 0.7247403598762026
Energy: 0.6950817869756178
Energy: 0.8572256567668753
Energy: 0.6950817869756178
Energy: 0.6546519881554246
Energy: 0.7371497192487204
Energy: 0.6687288034507827
Energy: 0.7371497192487204
Energy: 0.8576816207952442
Energy: 0.698050321164976
Energy: 0.7003071515100939
Energy: 0.698050321162837
Energy: 0.654437381481842
Energy: 0.6553873630476446
Energy: 0.6684058245103516
Energy: 0.655387363046575
Energy: 0.7001943382768404
Energy: 0.6975491297698669
Energy: 0.7880345626604032
Energy: 0.6975491297709363
Energy: 0.6670694045271954
Energy: 0.6820504470172807
Energy: 0.6684290717189996
Energy: 0.6820504470151904
Energy: 0.79464098286934
Energy: 0.6977734279342668
Energy: 0.6857314091414572
Energy: 0.6977734279342668
Energy: 0.6672004705974445
Energy: 0.7330681699445586
Energy: 0.6764392022118264
Energy: 0.7330681699456281
Energy: 0.6475111415185911
Energy: 0.6980351490078318
Energy: 0.7413986382645092
Energy: 0.6980351490089013
Energy: 0.6671593117574232
Energy: 0.7324154250482287
Energy: 0.6690856117271365
Energy: 0.732415425049298
Energy: 0.7575920294891433
Energy: 0.6980622684438459
Energy: 0.6410025232190426
Energy: 0.698062268441707
Energy: 0.6815986779795341
Energy: 0.7109139595308647
Energy: 0.6598948841111234
Energy: 0.7109139595319341
Energy: 0.6225123606815272
Energy: 0.6980483292340351
Energy: 0.7025765475143062
Energy: 0.6980483292372436
Energy: 0.6666725791981037
Energy: 0.7164506030230483
Energy: 0.6665983620160677
Energy: 0.7164506030241179
Energy: 0.7268118451242457
Energy: 0.6951357847025847
Energy: 0.6243058824020389
Energy: 0.6951357847036541
Energy: 0.6934190962329385
Energy: 0.6867054182934373
Energy: 0.6610847838144087
Energy: 0.6867054182945068
Energy: 0.6650771773344856
Energy: 0.7004038960586401
Energy: 0.7339900710453896
Energy: 0.7004038960597097
Energy: 0.667231034276986
Energy: 0.7069726724826225
Energy: 0.6893875014472394
Energy: 0.7069726724826225
Energy: 0.7729181742714517
Energy: 0.7070724098904542
Energy: 0.6417093657938622
Energy: 0.7070724098883152
Energy: 0.7226045172853229
Energy: 0.7064253346671513
Energy: 0.6736405884571316
Energy: 0.7064253346650123
Energy: 0.6626073899593302
Energy: 0.7154776882417223
Energy: 0.7348686421776365
Energy: 0.7154776882417223
Energy: 0.6936284758648126
Energy: 0.7111971294940932
Energy: 0.6891580533352039
Energy: 0.7111971294951628
Energy: 0.7897068909125418
Energy: 0.7076184547076232
Energy: 0.6415725417490966
Energy: 0.7076184547086928
Energy: 0.6936934687614047
Energy: 0.6865156453466302
Energy: 0.673562897830722
Energy: 0.6865156453466302
Energy: 0.6652890143431449
Energy: 0.7008720246016131
Energy: 0.7348329798764084
Energy: 0.7008720246037521
Energy: 0.6687399330525318
Energy: 0.6924905338033265
Energy: 0.6668573210167663
Energy: 0.6924905338043958
Energy: 0.7241293746321941
Energy: 0.6946742937138193
Energy: 0.624163734848975
Energy: 0.6946742937138193
Energy: 0.680878237572614
Energy: 0.7033119987224585
Energy: 0.6530457078003404
Energy: 0.7033119987213889
Energy: 0.6224985485586862
Energy: 0.6979381170554471
Energy: 0.7216461484579019
Energy: 0.6979381170543777
Energy: 0.6573547833295935
Energy: 0.7162135534543635
Energy: 0.6689637006935865
Energy: 0.716213553455433
Energy: 0.6948056449793923
Energy: 0.6974110920208304
Energy: 0.6298825415241214
Energy: 0.6974110920208304

minimum gb energy = 0.6224985485586862 eV
minimum distance =  2.33269514801823 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 0.68806155322162
Energy: 0.6597690878399274
Energy: 0.9173025028859729
Energy: 0.6597690878399274
Energy: 0.6257422361378718
Energy: 0.7030704182904989
Energy: 0.6157805930988007
Energy: 0.7030704182904989
Energy: 0.7126683673625199
Energy: 0.6612135347735415
Energy: 0.6609391264158921
Energy: 0.6612135347735415
Energy: 0.6044387870592145
Energy: 0.6987710218459954
Energy: 0.6157360719031838
Energy: 0.6987710218469229
Energy: 0.7070389721484209
Energy: 0.6331043398170729
Energy: 0.676567370348497
Energy: 0.6331043398170729
Energy: 0.6043285758268946
Energy: 0.6931665772131229
Energy: 0.5994410820133255
Energy: 0.6931665772131229
Energy: 0.6734225597795576
Energy: 0.636483100563826
Energy: 0.6818455066658005
Energy: 0.636483100563826
Energy: 0.6060090255007565
Energy: 0.6211952176571183
Energy: 0.6009595018808653
Energy: 0.6211952176580458
Energy: 0.6634308014978338
Energy: 0.6251025411919812
Energy: 0.6767099428247147
Energy: 0.6251025411919812
Energy: 0.6067053774482909
Energy: 0.7195890529583973
Energy: 0.6038737516894737
Energy: 0.7195890529583973
Energy: 0.6343776562554105
Energy: 0.6252916867170061
Energy: 0.6543515390862504
Energy: 0.6252916867170061
Energy: 0.6256390555923251
Energy: 0.6549317659895662
Energy: 0.6033597103061897
Energy: 0.6549317659895662
Energy: 0.6343857126472613
Energy: 0.6251829781013878
Energy: 0.637508522309074
Energy: 0.6251829781013878
Energy: 0.6254983024643148
Energy: 0.6586588676460664
Energy: 0.6245863680401447
Energy: 0.6586588676451389
Energy: 0.6234694656810262
Energy: 0.6253954037359128
Energy: 0.6396601458490481
Energy: 0.6253954037340577
Energy: 0.6242176145036615
Energy: 0.6871788162780343
Energy: 0.6244389052949479
Energy: 0.6871788162780343
Energy: 0.6219207391578296
Energy: 0.6254443205636186
Energy: 0.6076516169255413
Energy: 0.6254443205645461
Energy: 0.6257058296672493
Energy: 0.6871224867071669
Energy: 0.6244804533716269
Energy: 0.6871224867071669
Energy: 0.5732492332051842
Energy: 0.6255889310646618
Energy: 0.6460862694133102
Energy: 0.6255889310637343
Energy: 0.6109329298272437
Energy: 0.6531531051608468
Energy: 0.6278208489356981
Energy: 0.6531531051608468
Energy: 0.6343244643792526
Energy: 0.6251296236928887
Energy: 0.6040860028333329
Energy: 0.6251296237003092
Energy: 0.6058050068368787
Energy: 0.651719303753157
Energy: 0.6150319305400439
Energy: 0.6517193037522293
Energy: 0.5744957885154702
Energy: 0.6252059600788287
Energy: 0.676050648451588
Energy: 0.6252059600797564
Energy: 0.5975551365757803
Energy: 0.6203249043909984
Energy: 0.6107021334069275
Energy: 0.6203249043909984
Energy: 0.6748661806356109
Energy: 0.6353853454963502
Energy: 0.5759151660605778
Energy: 0.6353853454963502
Energy: 0.6051111152299903
Energy: 0.6167192508086786
Energy: 0.5995109361849681
Energy: 0.6167192508086786
Energy: 0.5894679981520186
Energy: 0.6333545931586304
Energy: 0.6777071525460485
Energy: 0.6333545931586304
Energy: 0.607814683049042
Energy: 0.6178146346537168
Energy: 0.612353182711965
Energy: 0.6178146346546443
Energy: 0.711403910211149
Energy: 0.6617364032171974
Energy: 0.5964238351765517
Energy: 0.6617364032171974
Energy: 0.6261268720289056
Energy: 0.6186889955626589
Energy: 0.6156057701948041
Energy: 0.6186889955626589
Energy: 0.6275636500712716
Energy: 0.6599684823173066
Energy: 0.6785111000401794
Energy: 0.6599684823173066
Energy: 0.6407489635861325
Energy: 0.6183074723139337
Energy: 0.6125215035264256
Energy: 0.6183074723139337
Energy: 0.7118721276450618
Energy: 0.6619060337000585
Energy: 0.5963275746741643
Energy: 0.661906033700986
Energy: 0.6054097188242277
Energy: 0.6103105638743617
Energy: 0.615528945809428
Energy: 0.6103105638743617
Energy: 0.5884971587168185
Energy: 0.6334498045353871
Energy: 0.6783550334328816
Energy: 0.6334498045353871
Energy: 0.6077115387308354
Energy: 0.6151746023460775
Energy: 0.6106989491351911
Energy: 0.6151746023460775
Energy: 0.6728036555458119
Energy: 0.6355262781633423
Energy: 0.5757619502056682
Energy: 0.6355262781633423
Energy: 0.6061027598185205
Energy: 0.6232217363610493
Energy: 0.5994424644190999
Energy: 0.6232217363619769
Energy: 0.5749185898041318
Energy: 0.6254132978844471
Energy: 0.6752200981107507
Energy: 0.6254132978844471
Energy: 0.5986675474517144
Energy: 0.6260117145901122
Energy: 0.6276659697730526
Energy: 0.6260117145910397
Energy: 0.6340035385440531
Energy: 0.6250263859758799
Energy: 0.6041269967439137
Energy: 0.6250263859758799
Energy: 0.6257571985737832
Energy: 0.6509530902409247
Energy: 0.6047360053382669
Energy: 0.6509530902409247
Energy: 0.5734705481513964
Energy: 0.6277984090603524
Energy: 0.6420089638924156
Energy: 0.6277984090612801

minimum gb energy = 0.5732492332051842 eV
minimum distance =  2.33455982689514 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.015044359684494206
Energy: 0.01536043094058485
Energy: 1.4267333796452748
Energy: 0.01536043094058485
Energy: 0.015557228526926323
Energy: 0.5707693172575254
Energy: 0.015557228448886075
Energy: 0.5707693172575254
Energy: 1.4267333796446011
Energy: 0.01536043094058485
Energy: 0.015044359684494206
Energy: 0.01536043094058485
Energy: 0.015557228465603328
Energy: 0.5707693172575254
Energy: 0.015557228444013513
Energy: 0.5707693172575254
Energy: 0.015044359684494206
Energy: 0.01536043094058485
Energy: 1.4267333796452748
Energy: 0.01536043094058485
Energy: 0.01555722869766412
Energy: 0.5707693172575254
Energy: 0.01555722854435663
Energy: 0.5707693172575254

minimum gb energy = 0.015044359684494206 eV
minimum distance =  2.4381914669103 Angstroms
sigma value = 1