Model name: model_name=MEAM_LAMMPS_KimSeolJi_2017_PtAl__MO_793141037706_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.044650807976723
cohesive_energy=3.3602642809003944
mass=26.981538
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: 0.010384128329334233
Energy: 0.010869275937500887
Energy: 0.7164412086286016
Energy: 0.010869275938001926
Energy: 0.010869275937500887
Energy: 0.5098374047191155
Energy: 0.010869275937500887
Energy: 0.5098374047195886
Energy: 0.7164412086286016
Energy: 0.010869275937500887
Energy: 0.010384128329334233
Energy: 0.010869275937500887
Energy: 0.010869275938001926
Energy: 0.5098374047191155
Energy: 0.010869275937500887
Energy: 0.5098374047195886

minimum gb energy = 0.010384128329334233 eV
minimum distance =  2.7079058906631 Angstroms
sigma value = 1


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

Energy: 0.5703984054820541
Energy: 0.5618974814751716
Energy: 0.5995714526594087
Energy: 0.5618974814751716
Energy: 0.5593952672282937
Energy: 0.5699686918067872
Energy: 0.540499823979126
Energy: 0.569968691807395
Energy: 0.5398394941962864
Energy: 0.5539276230345914
Energy: 0.5532636923515467
Energy: 0.5539276230345914
Energy: 0.5431280976506849
Energy: 0.5731351014528152
Energy: 0.5444388734634975
Energy: 0.5731351014528152
Energy: 0.5448649732118942
Energy: 0.5683442558202643
Energy: 0.5519633321983665
Energy: 0.5683442558196565
Energy: 0.5390250614819309
Energy: 0.6251792722226087
Energy: 0.53559389394425
Energy: 0.6251792722226087
Energy: 0.5609202891371303
Energy: 0.5521742158353331
Energy: 0.5395020654821472
Energy: 0.5521742158353331
Energy: 0.5241953549558417
Energy: 0.5659030992606614
Energy: 0.5367750039838792
Energy: 0.5659030992606614
Energy: 0.5442241262960433
Energy: 0.5507160865693916
Energy: 0.5515436474078175
Energy: 0.5507160865693916
Energy: 0.5396629431125372
Energy: 0.5532116016780686
Energy: 0.5248025528209975
Energy: 0.5532116016774609
Energy: 0.5424536412017271
Energy: 0.5680508224067712
Energy: 0.5441990590149083
Energy: 0.5680508224067712
Energy: 0.5735315253423177
Energy: 0.5658421977060162
Energy: 0.5443115147174978
Energy: 0.5658421977054086
Energy: 0.5395191727667141
Energy: 0.5541782520372497
Energy: 0.5611658083191311
Energy: 0.5541782520366421
Energy: 0.5521304800324641
Energy: 0.5620091633981015
Energy: 0.5431353736945707
Energy: 0.5620091633981015
Energy: 0.5521577727112064
Energy: 0.566835428954853
Energy: 0.5484669213743474
Energy: 0.566835428954853
Energy: 0.5559082142824059
Energy: 0.5619021431730173
Energy: 0.5521641308664816
Energy: 0.5619021431730173
Energy: 0.5533170069289935
Energy: 0.553843682368154
Energy: 0.5306812459361216
Energy: 0.5538436823687616
Energy: 0.5406041165052565
Energy: 0.5624097805964264
Energy: 0.5729214684097178
Energy: 0.5624097805964264
Energy: 0.5729685886104475
Energy: 0.5641771966559549
Energy: 0.5457579245726726
Energy: 0.5641771966559549
Energy: 0.5514509922792272
Energy: 0.6254051644174834
Energy: 0.5451483922484325
Energy: 0.6254051644168758
Energy: 0.5400788033015921
Energy: 0.5538176419745728
Energy: 0.529473171310429
Energy: 0.5538176419745728
Energy: 0.5443538516336082
Energy: 0.6364460717357214
Energy: 0.5519825617353356
Energy: 0.636446071736329
Energy: 0.5523269746013972
Energy: 0.5683388915498765
Energy: 0.5340282961336714
Energy: 0.5683388915498765
Energy: 0.5481652912003978
Energy: 0.5535447220902513
Energy: 0.5390399121713665
Energy: 0.5535447220902513
Energy: 0.5394614180944856
Energy: 0.627755387381929
Energy: 0.5618519036914174
Energy: 0.627755387381929
Energy: 0.5467940582312554
Energy: 0.5657799819381422
Energy: 0.5452189254875498
Energy: 0.5657799819375346
Energy: 0.5567489453997021
Energy: 0.6220940034099453
Energy: 0.5442899457845426
Energy: 0.6220940034099453
Energy: 0.5360442221257884
Energy: 0.5521737351269801
Energy: 0.559678977649571
Energy: 0.5521737351263725
Energy: 0.5588438062651154
Energy: 0.5677859886451225
Energy: 0.5511717662771838
Energy: 0.5677859886451225
Energy: 0.5709441141239978
Energy: 0.5624317292061669
Energy: 0.5762457566494302
Energy: 0.5624317292067744
Energy: 0.55459113454605
Energy: 0.5594347199830861
Energy: 0.5394449034425386
Energy: 0.5594347199824786
Energy: 0.5460853215125396
Energy: 0.5563119157480177
Energy: 0.5520165155858903
Energy: 0.5563119157480177
Energy: 0.5447365395269329
Energy: 0.5744317850924172
Energy: 0.5460553202328154
Energy: 0.5744317850924172

minimum gb energy = 0.5241953549558417 eV
minimum distance =  2.57618399562611 Angstroms
sigma value = 1


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

Energy: 0.59474033913155
Energy: 0.6040392554649205
Energy: 0.6138288522729266
Energy: 0.6040392554649205
Energy: 0.5747348257929178
Energy: 0.5943231074548354
Energy: 0.5582438025077645
Energy: 0.5943231074582996
Energy: 0.5695435755818249
Energy: 0.6069216453877934
Energy: 0.5897846782738764
Energy: 0.606921645388486
Energy: 0.559961474026349
Energy: 0.6036616092251258
Energy: 0.5582137931682736
Energy: 0.603661609224433
Energy: 0.5602517000853106
Energy: 0.5898778281344131
Energy: 0.574133074281262
Energy: 0.5898778281330276
Energy: 0.603364490413517
Energy: 0.5900933493162923
Energy: 0.5684171556274575
Energy: 0.590093349317678
Energy: 0.5747496200197895
Energy: 0.6365414992320338
Energy: 0.564822096837969
Energy: 0.6365414992341122
Energy: 0.5457459381644965
Energy: 0.6049088834299065
Energy: 0.562696480386017
Energy: 0.6049088834305992
Energy: 0.5598100775169558
Energy: 0.6712173948633048
Energy: 0.5475155081543638
Energy: 0.6712173948633048
Energy: 0.5652672524616523
Energy: 0.6050554447619602
Energy: 0.5789157412481132
Energy: 0.6050554447619602
Energy: 0.5747631850251433
Energy: 0.5856096626715155
Energy: 0.5583559896472735
Energy: 0.5856096626701298
Energy: 0.5524843024378339
Energy: 0.5963025443226658
Energy: 0.589922484786821
Energy: 0.5963025443219729
Energy: 0.5804602778264168
Energy: 0.5875478464902585
Energy: 0.5647867134413219
Energy: 0.5875478464916442
Energy: 0.5798385112506123
Energy: 0.5875409701427391
Energy: 0.5769750385635328
Energy: 0.5875409701441248
Energy: 0.5525198421218049
Energy: 0.5963059278192845
Energy: 0.5711233831729972
Energy: 0.5963059278185917
Energy: 0.5748366997078908
Energy: 0.5858762857044216
Energy: 0.5582152993152157
Energy: 0.5858762857037286
Energy: 0.5651271755360722
Energy: 0.6050524149389249
Energy: 0.5597035939117367
Energy: 0.605052414938232
Energy: 0.5598193531792007
Energy: 0.6711725992990419
Energy: 0.5475273348901281
Energy: 0.671172599298349
Energy: 0.5457322144093096
Energy: 0.606513825474113
Energy: 0.5610018245723056
Energy: 0.606513825474113
Energy: 0.5747342114363174
Energy: 0.6364093276421381
Energy: 0.5609158054817612
Energy: 0.6364093276421381
Energy: 0.6033777188713685
Energy: 0.5898320859590155
Energy: 0.5537205811832202
Energy: 0.5898320859604012
Energy: 0.5599900380646723
Energy: 0.5898675009520791
Energy: 0.5688491955775872
Energy: 0.5898675009520791
Energy: 0.5601027736429512
Energy: 0.6036338671819184
Energy: 0.5583063545898715
Energy: 0.6036338671819184
Energy: 0.5696447495810586
Energy: 0.6068764445084907
Energy: 0.5691103668735725
Energy: 0.606876444507798
Energy: 0.5748017017715829
Energy: 0.5950228761139196
Energy: 0.5581134251613422
Energy: 0.5950228761139196
Energy: 0.59474033913155
Energy: 0.6040392554649205
Energy: 0.6122272562010002
Energy: 0.6040392554649205
Energy: 0.5747348257929178
Energy: 0.5943231074555283
Energy: 0.5582438025084574
Energy: 0.5943231074582996
Energy: 0.5695435755811322
Energy: 0.6069216453877934
Energy: 0.5784783340971741
Energy: 0.606921645388486
Energy: 0.5599614740256561
Energy: 0.6036616092251258
Energy: 0.558390096009938
Energy: 0.603661609224433

minimum gb energy = 0.5457322144093096 eV
minimum distance =  2.52405313303858 Angstroms
sigma value = 25


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

Energy: 0.6085120165680038
Energy: 0.6264351511658249
Energy: 0.6762802448043674
Energy: 0.6264351511658249
Energy: 0.5801297344393835
Energy: 0.6274954331520458
Energy: 0.5877285079151634
Energy: 0.6274954331512403
Energy: 0.5784687899456997
Energy: 0.6524469751961216
Energy: 0.588470940303119
Energy: 0.652446975196927
Energy: 0.5878674559489069
Energy: 0.6440907101441468
Energy: 0.5789767921773208
Energy: 0.6440907101441468
Energy: 0.5809790237070812
Energy: 0.6284427926797282
Energy: 0.5819914166730463
Energy: 0.6284427926797282
Energy: 0.634479721888877
Energy: 0.6534176597020837
Energy: 0.5930626473932054
Energy: 0.6534176597020837
Energy: 0.5787023574955652
Energy: 0.6764033114659536
Energy: 0.5935429319751299
Energy: 0.6764033114659536
Energy: 0.6816104535340803
Energy: 0.6281450856517674
Energy: 0.5710016387599107
Energy: 0.6281450856517674
Energy: 0.5936053969663293
Energy: 0.6093490723157946
Energy: 0.578708524955541
Energy: 0.6093490723157946
Energy: 0.5979066243227429
Energy: 0.6533700624643161
Energy: 0.5761455325891612
Energy: 0.6533700624643161
Energy: 0.5791650433112835
Energy: 0.6256949927976978
Energy: 0.5856486963408154
Energy: 0.6256949927976978
Energy: 0.5709924848528178
Energy: 0.6265298143500738
Energy: 0.5856361008884534
Energy: 0.6265298143500738
Energy: 0.5883334628311303
Energy: 0.6452441519812927
Energy: 0.57584779245065
Energy: 0.6452441519812927
Energy: 0.5938271645007335
Energy: 0.6405248377000003
Energy: 0.5803463952335689
Energy: 0.6405248377000003
Energy: 0.6283570578349063
Energy: 0.6287149347548335
Energy: 0.5699522795514872
Energy: 0.6287149347556389
Energy: 0.5785732989686566
Energy: 0.5893037861478929
Energy: 0.5808696109004257
Energy: 0.5893037861478929
Energy: 0.5696328404782343
Energy: 0.652491176979699
Energy: 0.5670969679785681
Energy: 0.652491176979699
Energy: 0.5789414749371127
Energy: 0.6152814322041763
Energy: 0.5805579969951978
Energy: 0.6152814322041763
Energy: 0.5896559058219915
Energy: 0.6450949157665842
Energy: 0.5811402077189045
Energy: 0.6450949157665842
Energy: 0.5930355331367752
Energy: 0.6537512343346021
Energy: 0.5862935197632602
Energy: 0.6537512343346021
Energy: 0.5912668254826211
Energy: 0.627282806095049
Energy: 0.5857179768078922
Energy: 0.6272828060942437
Energy: 0.6093795853164525
Energy: 0.6276197553069793
Energy: 0.6365081623518496
Energy: 0.6276197553069793
Energy: 0.5787697066394046
Energy: 0.6151158001839463
Energy: 0.5862876860880775
Energy: 0.6151158001839463
Energy: 0.5817488680737204
Energy: 0.6518571433171362
Energy: 0.5973066102464196
Energy: 0.6518571433171362
Energy: 0.5859108904953791
Energy: 0.6244579736739427
Energy: 0.5788389864367004
Energy: 0.6244579736731374

minimum gb energy = 0.5670969679785681 eV
minimum distance =  2.52992029909917 Angstroms
sigma value = 9


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

Energy: 0.6370424906321855
Energy: 0.6950804198944494
Energy: 0.7429379427893146
Energy: 0.6950804198944494
Energy: 0.6237095879817193
Energy: 0.6613907144790415
Energy: 0.6035640592596674
Energy: 0.6613907144790415
Energy: 0.5910201085837505
Energy: 0.6833708419488445
Energy: 0.6031411137448653
Energy: 0.6833708419478837
Energy: 0.5962316678573479
Energy: 0.699912708886908
Energy: 0.5959998491975677
Energy: 0.699912708886908
Energy: 0.6341205085173889
Energy: 0.6457609462153913
Energy: 0.5973844382150434
Energy: 0.6457609462153913
Energy: 0.597389746384042
Energy: 0.6860800454031548
Energy: 0.610293488625915
Energy: 0.6860800454031548
Energy: 0.5963582909678955
Energy: 0.59502260267314
Energy: 0.5955653577050329
Energy: 0.59502260267314
Energy: 0.6265946947341846
Energy: 0.6859846038185199
Energy: 0.6096510802642158
Energy: 0.6859846038185199
Energy: 0.5963708187365265
Energy: 0.6469697840581901
Energy: 0.6116179073058674
Energy: 0.6469697840581901
Energy: 0.5965141177506484
Energy: 0.6952534494391835
Energy: 0.5973838161947224
Energy: 0.6952534494391835
Energy: 0.5963783558810974
Energy: 0.6812157341251859
Energy: 0.6088555673047337
Energy: 0.6812157341251859
Energy: 0.5964878690105164
Energy: 0.6578531693104306
Energy: 0.6096817564485061
Energy: 0.6578531693113913
Energy: 0.5988903589685598
Energy: 0.6841979058940973
Energy: 0.6181969133960544
Energy: 0.6841979058950581
Energy: 0.6237824698933108
Energy: 0.6707450315252318
Energy: 0.5970784482772931
Energy: 0.6707450315252318
Energy: 0.5990274224106291
Energy: 0.6858715665640207
Energy: 0.6342463108516265
Energy: 0.6858715665649815
Energy: 0.5968390517096154
Energy: 0.6953844652933242
Energy: 0.5962937004225276
Energy: 0.6953844652933242
Energy: 0.6292928992451596
Energy: 0.6721681062044493
Energy: 0.6031615295924518
Energy: 0.6721681062044493
Energy: 0.6092321211180434
Energy: 0.6958338839624664
Energy: 0.5982173860927713
Energy: 0.6958338839624664
Energy: 0.6100466586103489
Energy: 0.6450905353063209
Energy: 0.6040397913605093
Energy: 0.6450905353063209
Energy: 0.6587079755418263
Energy: 0.6840546046874679
Energy: 0.6096876424103519
Energy: 0.6840546046874679
Energy: 0.5962971092922006
Energy: 0.663213383805329
Energy: 0.6100626937879816
Energy: 0.663213383805329

minimum gb energy = 0.5910201085837505 eV
minimum distance =  2.5713757179123 Angstroms
sigma value = 25


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

Energy: 0.6039407147899564
Energy: 0.7081765016107705
Energy: 0.6804162862403844
Energy: 0.7081765016107705
Energy: 0.5929894100690435
Energy: 0.601499495846234
Energy: 0.5880385084895791
Energy: 0.6014994960588128
Energy: 0.588101578635282
Energy: 0.6578111222676846
Energy: 0.5951306262127187
Energy: 0.6578111222712492
Energy: 0.6032612802645664
Energy: 0.6585508447488483
Energy: 0.6778151595476791
Energy: 0.6585508447488483
Energy: 0.6769727883479244
Energy: 0.5928381206099053
Energy: 0.612495576050484
Energy: 0.5928381206099053
Energy: 0.5903667307871338
Energy: 0.7330809089859155
Energy: 0.5889921509175621
Energy: 0.7330809089859155
Energy: 0.612997965163905
Energy: 0.6571323592554925
Energy: 0.5876957576443996
Energy: 0.6571323592554925
Energy: 0.6704275406893615
Energy: 0.7087531731447454
Energy: 0.6031759421511719
Energy: 0.7087531731447454
Energy: 0.5952070146048877
Energy: 0.6597816420155584
Energy: 0.5931455315476576
Energy: 0.6597816420143703
Energy: 0.6880668027982113
Energy: 0.6731846787992511
Energy: 0.5902575025556298
Energy: 0.6731846787992511
Energy: 0.6291489126576245
Energy: 0.708147424214583
Energy: 0.7584652469732481
Energy: 0.708147424214583
Energy: 0.588213172471924
Energy: 0.6073953811002416
Energy: 0.6901516796627527
Energy: 0.6073953811002416
Energy: 0.679931314361138
Energy: 0.6729800566122208
Energy: 0.58763988939776
Energy: 0.672980056613409
Energy: 0.5878627893301792
Energy: 0.6630644447311173
Energy: 0.6035159572380495
Energy: 0.6630644447311173
Energy: 0.5878998401661043
Energy: 0.7077624974155409
Energy: 0.6707177917485578
Energy: 0.7077624974155409
Energy: 0.595266821255818
Energy: 0.6582587276516145
Energy: 0.5903772024529104
Energy: 0.6582587276314152
Energy: 0.5951236368597748
Energy: 0.6258571249410957
Energy: 0.6882607446510731
Energy: 0.6258571249410957

minimum gb energy = 0.58763988939776 eV
minimum distance =  2.61384455076652 Angstroms
sigma value = 17


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

Energy: 0.6592547902443945
Energy: 0.6600777348077898
Energy: 0.7649897011941367
Energy: 0.6600777348077898
Energy: 0.6849028333978386
Energy: 0.6292100542529148
Energy: 0.6007654166759151
Energy: 0.6292100542522419
Energy: 0.6907424895345651
Energy: 0.657980497898023
Energy: 0.6043890467184259
Energy: 0.6579804978973502
Energy: 0.5999572546404953
Energy: 0.6043672052676106
Energy: 0.6499881038058083
Energy: 0.6043672052669375
Energy: 0.7023734462491957
Energy: 0.674668402307304
Energy: 0.6175979663748022
Energy: 0.6746684023066309
Energy: 0.6045262187913287
Energy: 0.6132285300651378
Energy: 0.6857275401501934
Energy: 0.6132285300651378
Energy: 0.6014512033286953
Energy: 0.6545568936008718
Energy: 0.6046184691813964
Energy: 0.6545568936015447
Energy: 0.684444251081318
Energy: 0.6046661342508333
Energy: 0.6056826388826921
Energy: 0.6046661342515062
Energy: 0.6047436321232378
Energy: 0.6765695924402239
Energy: 0.6945261614355365
Energy: 0.6765695924402239
Energy: 0.7466207888843491
Energy: 0.6349026644721759
Energy: 0.6026936574731666
Energy: 0.6349026644715029
Energy: 0.6006215908826317
Energy: 0.6055782558363976
Energy: 0.691943427422905
Energy: 0.6055782558370707
Energy: 0.6052796203492856
Energy: 0.6523353018407179
Energy: 0.606149864850863
Energy: 0.6523353018407179
Energy: 0.6856973856070776
Energy: 0.6058516647111101
Energy: 0.6046881753606309
Energy: 0.6058516647104372
Energy: 0.6024365397354323
Energy: 0.6100512775372013
Energy: 0.6849139645629795
Energy: 0.6100512775358555
Energy: 0.6525010854826345
Energy: 0.6545869816980107
Energy: 0.6053516411535181
Energy: 0.6545869816980107
Energy: 0.6849841463693268
Energy: 0.6047964515649146
Energy: 0.6998500858018899
Energy: 0.6047964515655875
Energy: 0.6045968794849528
Energy: 0.6426413707741924
Energy: 0.6979520291347895
Energy: 0.6426413707748653
Energy: 0.6839102385580595
Energy: 0.6578495919182188
Energy: 0.6043544282195031
Energy: 0.6578495919182188
Energy: 0.6009876003985695
Energy: 0.6584223130007477
Energy: 0.6455445165668666
Energy: 0.6584223130007477
Energy: 0.6006013100291194
Energy: 0.6059582260339097
Energy: 0.599979125013301
Energy: 0.6059582260399663
Energy: 0.6492315185560301
Energy: 0.6583647997138882
Energy: 0.6908950721196916
Energy: 0.6583647997145611
Energy: 0.6017803081176899
Energy: 0.6886584135491469
Energy: 0.7460477870124356
Energy: 0.6886584135491469
Energy: 0.6990878218210744
Energy: 0.6598745943300348
Energy: 0.5988639296770012
Energy: 0.6598745943293619
Energy: 0.6038461157314309
Energy: 0.6562496920502346
Energy: 0.6835245608425963
Energy: 0.6562496920502346
Energy: 0.6039873426437292
Energy: 0.6580935992249457
Energy: 0.684505317838615
Energy: 0.6580935992249457
Energy: 0.6964209553111526
Energy: 0.604792268559202
Energy: 0.5995054067121746
Energy: 0.6047922685598748
Energy: 0.6072673702704195
Energy: 0.689152113162624
Energy: 0.7591585652659322
Energy: 0.689152113162624
Energy: 0.6863070308761637
Energy: 0.6130417825927127
Energy: 0.6915208021603788
Energy: 0.6130417825927127
Energy: 0.7267995472629966
Energy: 0.6062915299806868
Energy: 0.6013167893480166
Energy: 0.6062915299813597
Energy: 0.6046926022735706
Energy: 0.6776500471414686
Energy: 0.6854578344676808
Energy: 0.6776500471414686

minimum gb energy = 0.5988639296770012 eV
minimum distance =  2.49534976389989 Angstroms
sigma value = 53


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

Energy: 0.5521538480588797
Energy: 0.5523349006781225
Energy: 0.7157727778682773
Energy: 0.5523349006781225
Energy: 0.6732630831172335
Energy: 0.6008000988328099
Energy: 0.6465004177534633
Energy: 0.6008000988328099
Energy: 0.5529137544006254
Energy: 0.5526710034788102
Energy: 0.5739022733079003
Energy: 0.5526710034788102
Energy: 0.5528107868340006
Energy: 0.5526952891356621
Energy: 0.5739384645903749
Energy: 0.5526952891356621
Energy: 0.6732594412240706
Energy: 0.600793014772597
Energy: 0.6579234238554743
Energy: 0.6007930147741462
Energy: 0.5521538480588797
Energy: 0.5523349006781225
Energy: 0.7746841977723934
Energy: 0.5523349006781225
Energy: 0.6732630831172335
Energy: 0.6008000988328099
Energy: 0.6669524936472658
Energy: 0.6008000988328099
Energy: 0.5529137544006254
Energy: 0.5526710034788102
Energy: 0.6403640931392927
Energy: 0.5526710034788102
Energy: 0.5528107868340006
Energy: 0.5526952891341129
Energy: 0.6477186290248347
Energy: 0.5526952891356621
Energy: 0.6732594412225215
Energy: 0.6007930147741462
Energy: 0.6777889589261664
Energy: 0.6007930147741462
Energy: 0.5521538480588797
Energy: 0.5523349006796716
Energy: 0.8071219804647195
Energy: 0.5523349006781225
Energy: 0.6732630831172335
Energy: 0.6008000988328099
Energy: 0.6669524936472658
Energy: 0.6008000988328099
Energy: 0.5529137544006254
Energy: 0.5526710034788102
Energy: 0.667215409174625
Energy: 0.5526710034788102

minimum gb energy = 0.5521538480588797 eV
minimum distance =  2.60637577732387 Angstroms
sigma value = 9


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

Energy: 0.6202799019030721
Energy: 0.6288604317899464
Energy: 0.8100578655823396
Energy: 0.6288604317893731
Energy: 0.7518100392859216
Energy: 0.6502763019561144
Energy: 0.6340871832424706
Energy: 0.6502763019561144
Energy: 0.62782656566963
Energy: 0.6147261503254013
Energy: 0.6377788742029206
Energy: 0.6147261503259747
Energy: 0.7029380340814623
Energy: 0.7303651026216975
Energy: 0.6352788957937212
Energy: 0.7303651026216975
Energy: 0.6926726064208676
Energy: 0.6414922843364603
Energy: 0.6329092864303162
Energy: 0.6414922843364603
Energy: 0.6142910619840282
Energy: 0.6140727336295349
Energy: 0.7254874512710284
Energy: 0.6140727336289614
Energy: 0.8228777007782873
Energy: 0.6383953312140382
Energy: 0.6349641291195116
Energy: 0.6383953312140382
Energy: 0.6296158233725297
Energy: 0.6832188666725504
Energy: 0.6881460720894008
Energy: 0.6832188666731239
Energy: 0.6295612381271688
Energy: 0.7322035962311927
Energy: 0.6218030359096439
Energy: 0.7322035962311927
Energy: 0.6276025229870775
Energy: 0.6428094435683278
Energy: 0.6283757953914489
Energy: 0.6428094435683278
Energy: 0.6334162465001567
Energy: 0.723492819497186
Energy: 0.7905745415795095
Energy: 0.723492819497186
Energy: 0.6890277462892872
Energy: 0.7598017193574508
Energy: 0.6351567472425246
Energy: 0.7598017193574508
Energy: 0.6306449665759288
Energy: 0.6794694323706227
Energy: 0.7299155192196538
Energy: 0.6794694323706227
Energy: 0.7246533318206734
Energy: 0.7238760377712166
Energy: 0.6247013243363253
Energy: 0.7238760377712166
Energy: 0.6352788592763416
Energy: 0.6887251730302836
Energy: 0.6520014026791633
Energy: 0.6887251730302836
Energy: 0.6355675016889187
Energy: 0.7322223703717712
Energy: 0.7135088408912132
Energy: 0.7322223703723446
Energy: 0.6506140879377454
Energy: 0.6885314102180731
Energy: 0.6314250816707508
Energy: 0.6885314102180731
Energy: 0.6344510525994301
Energy: 0.6385629198581458
Energy: 0.719793226478724
Energy: 0.6385629198581458
Energy: 0.6996113211996977
Energy: 0.6797328389460505
Energy: 0.616047881849574
Energy: 0.6797328389466238
Energy: 0.6360019763779596
Energy: 0.6497568267672758
Energy: 0.6959724930292591
Energy: 0.6497568267678492
Energy: 0.6862084195819514
Energy: 0.7257752804518108
Energy: 0.6890928250597239
Energy: 0.7257752804512375
Energy: 0.653189802819681
Energy: 0.6824097680788156
Energy: 0.629876322163482
Energy: 0.6824097680788156
Energy: 0.6219812673742677
Energy: 0.6790466230641247
Energy: 0.6317558321424069
Energy: 0.6790466230641247
Energy: 0.7816508292162193
Energy: 0.6839102364923385
Energy: 0.6300347226460912
Energy: 0.6839102364923385
Energy: 0.6349014590129947
Energy: 0.7600607589081498
Energy: 0.7810551744742241
Energy: 0.7600607589087232
Energy: 0.6802854857082596
Energy: 0.6146477327857145
Energy: 0.6294601968867253
Energy: 0.6146477327851412
Energy: 0.6460216074276147
Energy: 0.6531885363939741
Energy: 0.7083185619025124
Energy: 0.6531885363928274
Energy: 0.6295958681810497
Energy: 0.7221330958523448
Energy: 0.7224443806774251
Energy: 0.7221330958523448
Energy: 0.6772094261804402
Energy: 0.6142393333632925
Energy: 0.628547956440898
Energy: 0.6142393333638658
Energy: 0.6341510143595179
Energy: 0.7903986502812612
Energy: 0.78148070809924
Energy: 0.7903986502812612
Energy: 0.7780300113800644
Energy: 0.7275361949883661
Energy: 0.629095424949073
Energy: 0.7275361949883661
Energy: 0.6250769300078328
Energy: 0.6430617798587769
Energy: 0.6297011088912318
Energy: 0.6430617798587769
Energy: 0.6272057249678952
Energy: 0.6817906906294419
Energy: 0.6281271747606013
Energy: 0.6817906906305885
Energy: 0.6857091645196265
Energy: 0.7232302478716912
Energy: 0.7139672313946489
Energy: 0.7232302478711179
Energy: 0.6448720340527849
Energy: 0.69223264537707
Energy: 0.8223901153523611
Energy: 0.6922326453764965

minimum gb energy = 0.6140727336289614 eV
minimum distance =  2.55691868370565 Angstroms
sigma value = 73


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

Energy: 0.6639890102513297
Energy: 0.625955919935651
Energy: 0.7883584483985837
Energy: 0.625955919935651
Energy: 0.6355295427186503
Energy: 0.6565931314454581
Energy: 0.629102527934192
Energy: 0.6565931314454581
Energy: 0.634231181091314
Energy: 0.62974559881433
Energy: 0.6198129881150365
Energy: 0.6297455988134202
Energy: 0.6397231042409339
Energy: 0.6281420693773769
Energy: 0.6444442633655019
Energy: 0.6281420693773769
Energy: 0.6553231773850733
Energy: 0.658933950417445
Energy: 0.6201708164334653
Energy: 0.658933950417445
Energy: 0.6374183399938849
Energy: 0.6211488326588148
Energy: 0.7851028432154372
Energy: 0.6211488326588148
Energy: 0.7314852508864095
Energy: 0.7054572978656345
Energy: 0.6393358632023458
Energy: 0.7054572978647248
Energy: 0.632742135269145
Energy: 0.6147939713968236
Energy: 0.6948523465142622
Energy: 0.6147939713968236
Energy: 0.8407476302159288
Energy: 0.6164587591935499
Energy: 0.6169476868866869
Energy: 0.6164587591935499
Energy: 0.6173326913472406
Energy: 0.6599621417829216
Energy: 0.6166123416401874
Energy: 0.6599621417829216
Energy: 0.6290244498886871
Energy: 0.6166500752408648
Energy: 0.7687019299875788
Energy: 0.616650075239955
Energy: 0.6596743884820047
Energy: 0.6257176864825955
Energy: 0.639912494583033
Energy: 0.6257176864816858
Energy: 0.6318443577210073
Energy: 0.6496139417692217
Energy: 0.7293519738288237
Energy: 0.6496139417692217
Energy: 0.7819925851086805
Energy: 0.6862916817304845
Energy: 0.6400991892977113
Energy: 0.6862916817304845
Energy: 0.6340929597186704
Energy: 0.6654856113696995
Energy: 0.7352297826360735
Energy: 0.6654856113696995
Energy: 0.771965939856759
Energy: 0.6159426380128558
Energy: 0.6339709080744876
Energy: 0.6159426380128558
Energy: 0.6674669980453393
Energy: 0.6793010015683373
Energy: 0.6341593832894509
Energy: 0.6793010015683373
Energy: 0.6663606037500315
Energy: 0.6793382082010793
Energy: 0.6407668970416094
Energy: 0.6793382082010793
Energy: 0.7131932395482775
Energy: 0.6145784967773977
Energy: 0.6325677180063973
Energy: 0.6145784967783076
Energy: 0.6361971922619967
Energy: 0.6648937855723006
Energy: 0.8010478815487377
Energy: 0.6648937855713908
Energy: 0.7706415204535386
Energy: 0.620967966305668
Energy: 0.6382584257421252
Energy: 0.6209679663047584
Energy: 0.644332072486978
Energy: 0.6556976309622609
Energy: 0.7121734680374037
Energy: 0.6556976309613511

minimum gb energy = 0.6145784967773977 eV
minimum distance =  2.5459172407317 Angstroms
sigma value = 7


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

Energy: 0.6312798620318748
Energy: 0.6311034315858918
Energy: 0.8182884604393118
Energy: 0.6311034315865056
Energy: 0.7489590169765
Energy: 0.6544806436096692
Energy: 0.6187712885591543
Energy: 0.6544806436096692
Energy: 0.6246433102822911
Energy: 0.6316110202483374
Energy: 0.6420465949578642
Energy: 0.6316110202502672
Energy: 0.6568042098151777
Energy: 0.6603192513940764
Energy: 0.6282536323745334
Energy: 0.6603192513947197
Energy: 0.6249529007202459
Energy: 0.6494754236296587
Energy: 0.6324606319679543
Energy: 0.6494754236296587
Energy: 0.6251819458084824
Energy: 0.6322509360525661
Energy: 0.787573954814315
Energy: 0.6322509360532095
Energy: 0.7318321431480836
Energy: 0.6922763940426631
Energy: 0.6505766123123727
Energy: 0.6922763940426631
Energy: 0.6250560128965854
Energy: 0.6314088526899633
Energy: 0.8276970117091351
Energy: 0.6314088526880335
Energy: 0.7060425321012014
Energy: 0.6558042253863446
Energy: 0.6269701370325429
Energy: 0.6558042253863446
Energy: 0.624714917055783
Energy: 0.6656689346419096
Energy: 0.7028953028714056
Energy: 0.6656689346425528
Energy: 0.6561476729700596
Energy: 0.7082749982443063
Energy: 0.6509294937061656
Energy: 0.7082749982423764
Energy: 0.6311753652356822
Energy: 0.6494630734104665
Energy: 0.6562098788569812
Energy: 0.6494630734104665
Energy: 0.6336835433696199
Energy: 0.6324130729879726
Energy: 0.6545657878207498
Energy: 0.6324130729860428
Energy: 0.6317524347495326
Energy: 0.6286464410485028
Energy: 0.6441912912535831
Energy: 0.628646441049146
Energy: 0.6163296200860567
Energy: 0.6598744806712954
Energy: 0.7549464420889079
Energy: 0.6598744806719385
Energy: 0.8262518598764148
Energy: 0.6279989452049723
Energy: 0.6317340366201548
Energy: 0.627998945204329
Energy: 0.6256320554544753
Energy: 0.6482281917448081
Energy: 0.6985761597913491
Energy: 0.6482281917448081
Energy: 0.6258645201329277
Energy: 0.6254954528189609
Energy: 0.6441315990879231
Energy: 0.6254954528189609
Energy: 0.625787546270686
Energy: 0.7079859122311976
Energy: 0.6511422821708797
Energy: 0.7079859122279812
Energy: 0.6173055433597537
Energy: 0.6528541028097673
Energy: 0.6306644516281498
Energy: 0.6528541028084807
Energy: 0.6401008428005565
Energy: 0.7088367818839051
Energy: 0.6269842451365301
Energy: 0.7088367818832618
Energy: 0.6245707585671635
Energy: 0.6319523598433618
Energy: 0.6440357500357619
Energy: 0.6319523598427185
Energy: 0.7871404587033954
Energy: 0.6564621274046978
Energy: 0.6509519753685392
Energy: 0.6564621274014812
Energy: 0.6314833926898508
Energy: 0.6311930366836087
Energy: 0.8160029513699288
Energy: 0.6311930366823223
Energy: 0.6315503499915966
Energy: 0.6524695269170505
Energy: 0.6504546898453188
Energy: 0.6524695269170505
Energy: 0.6382767778447652
Energy: 0.6607519872638358
Energy: 0.6494004858380178
Energy: 0.6607519872631925
Energy: 0.6250705247349496
Energy: 0.6626757448859847
Energy: 0.6906674126461992
Energy: 0.6626757448853413
Energy: 0.6722658177859424
Energy: 0.6485793841870022
Energy: 0.6282951194234261
Energy: 0.6485793841870022
Energy: 0.6287129293458464
Energy: 0.6312415989013094
Energy: 0.7424353582103177
Energy: 0.6312415989019526
Energy: 0.6824389392533191
Energy: 0.6448384634599782
Energy: 0.617954493149756
Energy: 0.6448384634599782
Energy: 0.6287168445456754
Energy: 0.6312303639863129
Energy: 0.7577798383076604
Energy: 0.6312303639875996

minimum gb energy = 0.6163296200860567 eV
minimum distance =  2.5389451317875 Angstroms
sigma value = 29


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

Energy: 0.5941619496079381
Energy: 0.5811460236279128
Energy: 0.8573522717735609
Energy: 0.5811460236279128
Energy: 0.6589471952588889
Energy: 0.5719467326385175
Energy: 0.5732301132768038
Energy: 0.5719467326389657
Energy: 0.5657875829350467
Energy: 0.6092063064173444
Energy: 0.6583998149412483
Energy: 0.6092063064173444
Energy: 0.5938004644664047
Energy: 0.594333651652057
Energy: 0.6694641743772007
Energy: 0.5943336516518329
Energy: 0.5943164654380857
Energy: 0.5924026320165563
Energy: 0.6141481875696656
Energy: 0.5924026320165563
Energy: 0.5811713547494254
Energy: 0.609219262751479
Energy: 0.5811853421535266
Energy: 0.6092192627512799
Energy: 0.5811472310567435
Energy: 0.5925418584915808
Energy: 0.5943084617805905
Energy: 0.5925418584920041
Energy: 0.669525011451523
Energy: 0.5945316684511359
Energy: 0.5937788390203007
Energy: 0.5945316684509119
Energy: 0.6582637138595859
Energy: 0.6091939799507716
Energy: 0.6585935828536865
Energy: 0.6091939799507716

minimum gb energy = 0.5657875829350467 eV
minimum distance =  2.59977309756097 Angstroms
sigma value = 5


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

Energy: 0.5942319245332581
Energy: 0.5917495589731596
Energy: 0.7100545995424273
Energy: 0.5917495589731596
Energy: 0.6021013991774187
Energy: 0.5867394988996976
Energy: 0.5913676281178065
Energy: 0.5867394989003052
Energy: 0.5821407542886818
Energy: 0.5877764780742125
Energy: 0.69591885009273
Energy: 0.5877764780742125
Energy: 0.595076006522863
Energy: 0.6144014583091908
Energy: 0.5848490144811987
Energy: 0.6144014583091908
Energy: 0.5861193830388985
Energy: 0.6173770491118492
Energy: 0.6405548865636703
Energy: 0.6173770491124568
Energy: 0.6177939605309427
Energy: 0.5922873795411634
Energy: 0.581114189825198
Energy: 0.5922873795411634
Energy: 0.5829908269800695
Energy: 0.6158027485489166
Energy: 0.5937761094704429
Energy: 0.6158027485489166
Energy: 0.5805429320251951
Energy: 0.5927820731719182
Energy: 0.5833024089772447
Energy: 0.5927820731725257
Energy: 0.586555333887475
Energy: 0.6161582640550608
Energy: 0.5906155273839904
Energy: 0.6161582640544532
Energy: 0.5830672133761593
Energy: 0.6161620912822497
Energy: 0.603035620152242
Energy: 0.6161620912822497
Energy: 0.5814753976469293
Energy: 0.6151727151845081
Energy: 0.5881705266626363
Energy: 0.6151727151845081
Energy: 0.5880162446440234
Energy: 0.6180936696364626
Energy: 0.5932045222179724
Energy: 0.6180936696364626
Energy: 0.6187083561606116
Energy: 0.5919187623654127
Energy: 0.5939114042759692
Energy: 0.5919187623648051
Energy: 0.5920677770397935
Energy: 0.5929369798729361
Energy: 0.6041089285113417
Energy: 0.5929369798729361
Energy: 0.7264510491765046
Energy: 0.5814566803340265
Energy: 0.5880159921039245
Energy: 0.5814566803334189
Energy: 0.5833548621307711
Energy: 0.5881262224472444
Energy: 0.7026250515205603
Energy: 0.5881262224472444
Energy: 0.6749232494594339
Energy: 0.5885245788065362
Energy: 0.5913368451606503
Energy: 0.5885245788059286
Energy: 0.5861847522307083
Energy: 0.5918617789643981
Energy: 0.7550720932804872
Energy: 0.5918617789643981
Energy: 0.5928967773659829
Energy: 0.6173758176217232
Energy: 0.58351126635566
Energy: 0.6173758176217232
Energy: 0.5831246053345591
Energy: 0.6450411822025682
Energy: 0.5846632640452711
Energy: 0.6450411822025682
Energy: 0.5931940821605598
Energy: 0.612950549524478
Energy: 0.5870035709588944
Energy: 0.612950549524478
Energy: 0.5941947371559186
Energy: 0.6159424461250146
Energy: 0.5815183030750796
Energy: 0.6159424461250146
Energy: 0.591140700017977
Energy: 0.5927827569131928
Energy: 0.5968379129307386
Energy: 0.5927827569131928
Energy: 0.5918953753641419
Energy: 0.6174659908476187
Energy: 0.5910548047751244
Energy: 0.6174659908470109
Energy: 0.5969871601148035
Energy: 0.5924873967492204
Energy: 0.589058136225653
Energy: 0.5924873967498281
Energy: 0.591802539452938
Energy: 0.5929189031019801
Energy: 0.5861851462709669
Energy: 0.5929189031013725
Energy: 0.5832780231547922
Energy: 0.5787279462749894
Energy: 0.6138166363108435
Energy: 0.5787279462749894
Energy: 0.7096266167777241
Energy: 0.6156333072460517
Energy: 0.5833462479056802
Energy: 0.6156333072430135
Energy: 0.5922572572344795
Energy: 0.586238815842402
Energy: 0.6242870970745312
Energy: 0.586238815842402
Energy: 0.762447842126279
Energy: 0.591998313322497
Energy: 0.5861139701098377
Energy: 0.591998313322497
Energy: 0.5815250694519013
Energy: 0.5845956875158721
Energy: 0.741197625402391
Energy: 0.5845956875152645
Energy: 0.6738045244836126
Energy: 0.6162324356004057
Energy: 0.5820686808936372
Energy: 0.6162324356010133
Energy: 0.5849826748181565
Energy: 0.6143738509004946
Energy: 0.5981889614252199
Energy: 0.6143738509004946

minimum gb energy = 0.5787279462749894 eV
minimum distance =  2.53083984410739 Angstroms
sigma value = 1


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

Energy: 0.6331462118932928
Energy: 0.5706022664452434
Energy: 0.6935589746549637
Energy: 0.5706022664444032
Energy: 0.60472822776529
Energy: 0.5537599310931937
Energy: 0.5669644781073795
Energy: 0.5537599310923536
Energy: 0.558220488764996
Energy: 0.566350519322622
Energy: 0.6400358425663768
Energy: 0.566350519322622
Energy: 0.569633011709046
Energy: 0.5973111964275548
Energy: 0.5665774800716735
Energy: 0.5973111964275548
Energy: 0.5574730676224268
Energy: 0.5689503449965114
Energy: 0.639216933491083
Energy: 0.5689503449956712
Energy: 0.5570194983092951
Energy: 0.5970923905652047
Energy: 0.5664622764430671
Energy: 0.5970923905652047
Energy: 0.5579442089389766
Energy: 0.6155912063058062
Energy: 0.5643485310312868
Energy: 0.6155912063058062
Energy: 0.5573047233859507
Energy: 0.5661133237504641
Energy: 0.5877332730328999
Energy: 0.5661133237504641
Energy: 0.5659540261579995
Energy: 0.5711251756974703
Energy: 0.589244069206391
Energy: 0.5711251756974703
Energy: 0.5659365427618024
Energy: 0.6643283727876487
Energy: 0.5858330639789029
Energy: 0.6643283727884888
Energy: 0.5576276715681346
Energy: 0.5662738136126907
Energy: 0.5786997376391919
Energy: 0.5662738136126907
Energy: 0.5569738052938591
Energy: 0.6087010909429845
Energy: 0.5641417150512553
Energy: 0.6087010909438246
Energy: 0.5541347768984283
Energy: 0.5964482732668345
Energy: 0.5671158359465573
Energy: 0.5964482732668345
Energy: 0.5539498699417946
Energy: 0.5707818639855816
Energy: 0.6438921078004685
Energy: 0.5707818639855816
Energy: 0.6968081880368555
Energy: 0.5966830784434667
Energy: 0.5671105219062708
Energy: 0.5966830784434667
Energy: 0.558216772418288
Energy: 0.5662411391422485
Energy: 0.5793646910883259
Energy: 0.5662411391422485
Energy: 0.6181839569091861
Energy: 0.5542069106697621
Energy: 0.5661081532962766
Energy: 0.5542069106697621
Energy: 0.6331462118932928
Energy: 0.5706022664444032
Energy: 0.6964181840664284
Energy: 0.5706022664444032
Energy: 0.60472822776529
Energy: 0.5537599310931937
Energy: 0.5669644781073795
Energy: 0.5537599310931937
Energy: 0.558220488764996
Energy: 0.566350519322622
Energy: 0.6400358425663768
Energy: 0.566350519322622
Energy: 0.5696330118316552
Energy: 0.5973111964275548
Energy: 0.5665774800716735
Energy: 0.5973111964275548
Energy: 0.5574730676224268
Energy: 0.5689503449965114
Energy: 0.639216933491083
Energy: 0.5689503449956712
Energy: 0.5570194983092951
Energy: 0.5970923905652047
Energy: 0.5664622764430671
Energy: 0.5970923905652047
Energy: 0.5579442089389766
Energy: 0.6155912063058062
Energy: 0.5714425349838923
Energy: 0.6155912063058062

minimum gb energy = 0.5537599310923536 eV
minimum distance =  2.54306610214101 Angstroms
sigma value = 17


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

Energy: 0.5628620247298725
Energy: 0.5630416482907596
Energy: 0.6950421644426501
Energy: 0.5630416482892017
Energy: 0.5920667755856948
Energy: 0.5608591703193451
Energy: 0.5561718269309183
Energy: 0.5608591703193451
Energy: 0.5543651118201036
Energy: 0.5569008261870452
Energy: 0.5995994519351623
Energy: 0.5569008261860066
Energy: 0.5869359013896269
Energy: 0.5502150220207692
Energy: 0.5532115150671734
Energy: 0.55021502202025
Energy: 0.5505816700186074
Energy: 0.5916219783527188
Energy: 0.6431291564774819
Energy: 0.5916219783527188
Energy: 0.5670794636296866
Energy: 0.6520234053744708
Energy: 0.5597091972765535
Energy: 0.6520234053744708
Energy: 0.5674340760971301
Energy: 0.5825991349999907
Energy: 0.5590945836666149
Energy: 0.5825991349999907
Energy: 0.5494279816200601
Energy: 0.6538082732331943
Energy: 0.553669636663658
Energy: 0.6538082732331943
Energy: 0.5643248480330374
Energy: 0.6577045230457841
Energy: 0.5682348114723454
Energy: 0.6577045230452648
Energy: 0.5665961769923844
Energy: 0.5821869251824779
Energy: 0.5547283135339853
Energy: 0.5821869251845553
Energy: 0.5573699116110481
Energy: 0.6479773087328554
Energy: 0.556633188302146
Energy: 0.6479773087338939
Energy: 0.5530485011803162
Energy: 0.581446103025717
Energy: 0.5476216098561256
Energy: 0.581446103025717
Energy: 0.5506321694004411
Energy: 0.653152098446752
Energy: 0.5558552945181239
Energy: 0.653152098446752
Energy: 0.5616964998810119
Energy: 0.5903862454123138
Energy: 0.5630488420508333
Energy: 0.5903862454123138
Energy: 0.556236009499087
Energy: 0.6480479512431196
Energy: 0.5683407057537325
Energy: 0.6480479512431196
Energy: 0.5575491132859666
Energy: 0.5575356418222246
Energy: 0.6405535324796648
Energy: 0.557535641822744
Energy: 0.5757330586414313
Energy: 0.6474159661427672
Energy: 0.5560256606193731
Energy: 0.6474159661417286
Energy: 0.5502567522015654
Energy: 0.5632387109885316
Energy: 0.761259202853953
Energy: 0.5632387109885316
Energy: 0.6054216826701686
Energy: 0.5836887501970016
Energy: 0.5563511600831623
Energy: 0.5836887501970016
Energy: 0.5568223500578683
Energy: 0.5566750865591542
Energy: 0.7107155558634997
Energy: 0.5566750865591542
Energy: 0.5693087083855706
Energy: 0.5564077719777224
Energy: 0.5656518551228334
Energy: 0.5564077719782418
Energy: 0.5662555121810043
Energy: 0.5642947956868759
Energy: 0.5700819673481894
Energy: 0.5642947956847989
Energy: 0.5760120182826318
Energy: 0.5559634201357722
Energy: 0.5580857033691584
Energy: 0.5559634201357722
Energy: 0.5567574577827052
Energy: 0.5834287671347347
Energy: 0.6436855945976158
Energy: 0.5834287671336961
Energy: 0.684429987098119
Energy: 0.5633604696657127
Energy: 0.551522279886599
Energy: 0.5633604696657127
Energy: 0.5574738336947838
Energy: 0.5911497935779153
Energy: 0.5546816939985988
Energy: 0.5911497935784346
Energy: 0.6201949440932185
Energy: 0.5793728730880113
Energy: 0.5587332430627024
Energy: 0.5793728730885307
Energy: 0.5712636033395269
Energy: 0.6485561808144223
Energy: 0.5553282021311378
Energy: 0.6485561808149415
Energy: 0.5630493645612796
Energy: 0.5897317514240581
Energy: 0.5638383141881776
Energy: 0.5897317514230196
Energy: 0.5574434407243773
Energy: 0.653369424739971
Energy: 0.5655353672363959
Energy: 0.6533694247394516
Energy: 0.554875741478212
Energy: 0.5891547565243253
Energy: 0.5572976303205996
Energy: 0.5891547565243253
Energy: 0.5597741659618228
Energy: 0.6466140291283446
Energy: 0.5552982976186481
Energy: 0.6466140291283446
Energy: 0.5589401009111657
Energy: 0.5823925562501316
Energy: 0.6277093501542818
Energy: 0.5823925562506508
Energy: 0.5769483356935401
Energy: 0.6568399731315397
Energy: 0.5620976136728943
Energy: 0.6568399731305011
Energy: 0.5531378577311985
Energy: 0.5636254669724047
Energy: 0.5786843412537825
Energy: 0.563625466972924
Energy: 0.5603985233088291
Energy: 0.583512645231826
Energy: 0.5681812853205568
Energy: 0.5835126452323454
Energy: 0.5580398942691036
Energy: 0.6517405184048084
Energy: 0.5695464756586385
Energy: 0.651740518404289
Energy: 0.5771968865968728
Energy: 0.5924525582687602
Energy: 0.5577190724041707
Energy: 0.5924525582682407

minimum gb energy = 0.5476216098561256 eV
minimum distance =  2.53460857098214 Angstroms
sigma value = 89


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

Energy: 0.4926244525610652
Energy: 0.4926728511667243
Energy: 0.7982162860338284
Energy: 0.4926728511667243
Energy: 0.4929763393505603
Energy: 0.5088611325671333
Energy: 0.5033439957781018
Energy: 0.5088611325671333
Energy: 0.5014170519559474
Energy: 0.5728636629057742
Energy: 0.4936639569064924
Energy: 0.5728636629057742
Energy: 0.6319033705098466
Energy: 0.508862582496269
Energy: 0.5033811222688019
Energy: 0.5088625824949101
Energy: 0.5013952883400286
Energy: 0.4942522920559712
Energy: 0.7405152330852488
Energy: 0.4942522920559712
Energy: 0.5015121231549248
Energy: 0.4928596059324006
Energy: 0.4949803837711541
Energy: 0.4928596059324006
Energy: 0.5015808875215344
Energy: 0.5732782073981555
Energy: 0.4928412861706744
Energy: 0.5732782073981555
Energy: 0.505815900155237
Energy: 0.6666789632644083
Energy: 0.5032116487707957
Energy: 0.6666789632644083
Energy: 0.501440211502347
Energy: 0.5322760189774807
Energy: 0.6300737762638913
Energy: 0.5322760189774807
Energy: 0.5088729748712768
Energy: 0.6206230977506659
Energy: 0.5013949661992133
Energy: 0.6206230977506659
Energy: 0.4925912975207973
Energy: 0.5089662002242302
Energy: 0.5013559221019717
Energy: 0.5089662002242302
Energy: 0.49264645647298955
Energy: 0.5712842451050867
Energy: 0.5032752486667873
Energy: 0.5712842451050867
Energy: 0.5013990109883544
Energy: 0.5304253274291653
Energy: 0.5043991280059823
Energy: 0.5304253274305242
Energy: 0.5014282351759922
Energy: 0.530091289870517
Energy: 0.5014385461014328
Energy: 0.530091289870517
Energy: 0.49549497557013633
Energy: 0.5304540029936801
Energy: 0.5013960154280644
Energy: 0.5304540029923214

minimum gb energy = 0.4925912975207973 eV
minimum distance =  2.55489971391908 Angstroms
sigma value = 13


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

Energy: 0.5018024070814231
Energy: 0.4923360207950291
Energy: 0.6425289172711538
Energy: 0.49233602079559863
Energy: 0.5267815770942315
Energy: 0.5033230515411681
Energy: 0.4913378534352323
Energy: 0.503323051540029
Energy: 0.49274595595558096
Energy: 0.49260266973406946
Energy: 0.5659946308298465
Energy: 0.49260266973463895
Energy: 0.4907300547777482
Energy: 0.5032950866664148
Energy: 0.4883631978900559
Energy: 0.5032950866664148
Energy: 0.4964148205701003
Energy: 0.5186175712917354
Energy: 0.5215686535114306
Energy: 0.5186175712905964
Energy: 0.48595357748413937
Energy: 0.5057220139540399
Energy: 0.49165684640942875
Energy: 0.5057220139546095
Energy: 0.4962086746595831
Energy: 0.6212905053783908
Energy: 0.6328633643337888
Energy: 0.6212905053778213
Energy: 0.48571869314445554
Energy: 0.5036196641612647
Energy: 0.4917436284228881
Energy: 0.5036196641624038
Energy: 0.49627825269876763
Energy: 0.5211259155603941
Energy: 0.5450493782888466
Energy: 0.5211259155603941
Energy: 0.5756281895814537
Energy: 0.5275572693546988
Energy: 0.48831844694314297
Energy: 0.5275572693535598
Energy: 0.4964525518727974
Energy: 0.5282445290042679
Energy: 0.49347796835278074
Energy: 0.528244529000851
Energy: 0.5958802013421355
Energy: 0.5277353012980459
Energy: 0.492723426929772
Energy: 0.527735301295768
Energy: 0.5081804758587122
Energy: 0.4967642033810983
Energy: 0.48599957622240697
Energy: 0.4967642033771118
Energy: 0.6086104572150101
Energy: 0.5277091731178418
Energy: 0.49288385870394275
Energy: 0.5277091731172723
Energy: 0.4963464108656622
Energy: 0.4919557330228507
Energy: 0.4860289651910227
Energy: 0.49195573302398976
Energy: 0.484382703313927
Energy: 0.527735262939669
Energy: 0.4867926067694282
Energy: 0.5277352629408081
Energy: 0.4923959322136123
Energy: 0.5143972255865394
Energy: 0.48709896630866745
Energy: 0.5143972255865394
Energy: 0.49112268685189076
Energy: 0.5198386966000131
Energy: 0.49007964947089466
Energy: 0.5198386966000131
Energy: 0.49228586689008413
Energy: 0.522266971859619
Energy: 0.4900505285008233
Energy: 0.522266971859619
Energy: 0.4922894569386394
Energy: 0.5224599923119768
Energy: 0.4901664692734606
Energy: 0.5224599923131158
Energy: 0.49102225297558605
Energy: 0.5198196768164282
Energy: 0.49003762367445414
Energy: 0.5198196768164282
Energy: 0.49216158644574165
Energy: 0.5144146980005425
Energy: 0.4871165131692547
Energy: 0.5144146979994034
Energy: 0.48436033631944275
Energy: 0.5277309869181274
Energy: 0.4870533719802052
Energy: 0.527730986916419
Energy: 0.49635217269065746
Energy: 0.4918168316487741
Energy: 0.48765223964972654
Energy: 0.4918168316527607
Energy: 0.6084643912387913
Energy: 0.5278252274508085
Energy: 0.4928991084374372
Energy: 0.5278252274513779
Energy: 0.5085491527790987
Energy: 0.49652618521346026
Energy: 0.4877323979554207
Energy: 0.49652618521402975
Energy: 0.5958228686828138
Energy: 0.5278439425812448
Energy: 0.4926803078138441
Energy: 0.5278439425795364
Energy: 0.49627135388764554
Energy: 0.5283109017962382
Energy: 0.4854017184897385
Energy: 0.5283109017962382
Energy: 0.5758844164742966
Energy: 0.5274650418902626
Energy: 0.4883117968631556
Energy: 0.5274650418879844
Energy: 0.49652751477647994
Energy: 0.5210862915346628
Energy: 0.5447641781407208
Energy: 0.5210862915340932
Energy: 0.4855991983425864
Energy: 0.5035102222421138
Energy: 0.49162060833265114
Energy: 0.5035102222415444
Energy: 0.499122922283727
Energy: 0.6219272670394772
Energy: 0.5875108358783856
Energy: 0.6219272670383382
Energy: 0.4862104573067143
Energy: 0.5057572779897834
Energy: 0.4919218864138982
Energy: 0.5057572779880748
Energy: 0.4963453640152106
Energy: 0.5186766387332501
Energy: 0.6345326873475952
Energy: 0.5186766387338196
Energy: 0.5053480000984494
Energy: 0.5032558200195346
Energy: 0.48837266533966683
Energy: 0.5032558200183955

minimum gb energy = 0.48436033631944275 eV
minimum distance =  2.56582063046945 Angstroms
sigma value = 37


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

Energy: 0.5326118537390115
Energy: 0.5426890921527255
Energy: 0.45507560006299136
Energy: 0.5426890921537053
Energy: 0.5247775391063363
Energy: 0.5863009997363339
Energy: 0.45144806985071445
Energy: 0.5863009997363339
Energy: 0.4606403314992727
Energy: 0.6004981776666121
Energy: 0.6024583405165412
Energy: 0.6004981776656323
Energy: 0.48938743100496035
Energy: 0.46248237279810206
Energy: 0.4532852805404882
Energy: 0.46248237279810206
Energy: 0.452719921967367
Energy: 0.5865225803350099
Energy: 0.4834387761750222
Energy: 0.5865225803350099
Energy: 0.4553530742389557
Energy: 0.5882285537809522
Energy: 0.5102519723210396
Energy: 0.5882285537809522
Energy: 0.4594465679664489
Energy: 0.7157606610239378
Energy: 0.5837813373452463
Energy: 0.7157606610239378
Energy: 0.4411637718705698
Energy: 0.46191278446571016
Energy: 0.463516312998362
Energy: 0.46191278446571016
Energy: 0.45185469267691986
Energy: 0.5867753997844047
Energy: 0.5887113242774215
Energy: 0.5867753997844047
Energy: 0.6027277058237658
Energy: 0.5871017209535419
Energy: 0.5102255326159684
Energy: 0.587101720952562
Energy: 0.4523827995037274
Energy: 0.6868070242538022
Energy: 0.4953221397627042
Energy: 0.6868070242538022
Energy: 0.6073462691152283
Energy: 0.4616793050755434
Energy: 0.4533815822258813
Energy: 0.4616793050755434
Energy: 0.5083450324248451
Energy: 0.5867185482063982
Energy: 0.44946627230412445
Energy: 0.5867185482063982
Energy: 0.5982917301458188
Energy: 0.7133936727632041
Energy: 0.44568881713229225
Energy: 0.7133936727622243
Energy: 0.5326881778886937
Energy: 0.4843622135253839
Energy: 0.44590334905669454
Energy: 0.4843622135263414
Energy: 0.5271853325080039
Energy: 0.5873368676482583
Energy: 0.45135068812174267
Energy: 0.5873368676482583
Energy: 0.5083585705430862
Energy: 0.5878274694554596
Energy: 0.44287779860977555
Energy: 0.5878274694554596
Energy: 0.49567676498886265
Energy: 0.687693203975981
Energy: 0.4524374725784365
Energy: 0.687693203975981
Energy: 0.45248639392963014
Energy: 0.46167709926724254
Energy: 0.4517438093799796
Energy: 0.46167709926724254
Energy: 0.450396041363345
Energy: 0.5874086641028524
Energy: 0.5037061052348678
Energy: 0.5874086641028524

minimum gb energy = 0.4411637718705698 eV
minimum distance =  2.54919315082858 Angstroms
sigma value = 25


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

Energy: 0.48476397671412963
Energy: 0.6284736194274412
Energy: 0.571471851236263
Energy: 0.6284736194266762
Energy: 0.5451338384975464
Energy: 0.6178432967218794
Energy: 0.4126095229582768
Energy: 0.6178432967218794
Energy: 0.45970217795076257
Energy: 0.46883942911428333
Energy: 0.5861800988034189
Energy: 0.46883942911428333
Energy: 0.45447108669318365
Energy: 0.5805009445732952
Energy: 0.4131137868612668
Energy: 0.5805009445732952
Energy: 0.41786191658887994
Energy: 0.6164039596357078
Energy: 0.4289133704247242
Energy: 0.6164039596357078
Energy: 0.43661182051739655
Energy: 0.4157004607784123
Energy: 0.4194360124452435
Energy: 0.41570046082657897
Energy: 0.4123551133884351
Energy: 0.4095648812964195
Energy: 0.4549830217696662
Energy: 0.4095648812971846
Energy: 0.4074056470393242
Energy: 0.5323729189948895
Energy: 0.4607250846756941
Energy: 0.5323729189941243
Energy: 0.4114983474905487
Energy: 0.6178522304033627
Energy: 0.5840641352420883
Energy: 0.6178522304033627
Energy: 0.3989065390636885
Energy: 0.40849345740918164
Energy: 0.43219145533652953
Energy: 0.40849345740841664
Energy: 0.41224170691649475
Energy: 0.40922612350478604
Energy: 0.5507936640415493
Energy: 0.4092261235032558
Energy: 0.5119105488362611
Energy: 0.6518370662457974
Energy: 0.4606658366163266
Energy: 0.6518370662457974
Energy: 0.41396342332903535
Energy: 0.5804592195389451
Energy: 0.5139950548995884
Energy: 0.58045921953818
Energy: 0.525533966993864
Energy: 0.6294247858501208
Energy: 0.41806980764231566
Energy: 0.6294247858501208
Energy: 0.41723476286460187
Energy: 0.40859923207842846
Energy: 0.43666587952595226
Energy: 0.40859923207842846
Energy: 0.5448073474903659
Energy: 0.6332216090241967
Energy: 0.411333749887994
Energy: 0.6332216090241967
Energy: 0.46359027133236486
Energy: 0.5325861256354275
Energy: 0.4070915251602109
Energy: 0.5325861256354275
Energy: 0.5261138983099471
Energy: 0.6164441414440025
Energy: 0.41245153287126946
Energy: 0.6164441414440025
Energy: 0.4884151670947144
Energy: 0.5322892873966605
Energy: 0.39909498696755896
Energy: 0.5322892873966605
Energy: 0.6085296477392751
Energy: 0.6344996065629308
Energy: 0.4111826626315907
Energy: 0.6344996065629308
Energy: 0.4636257124341893
Energy: 0.6502199095001007
Energy: 0.4000430781473456
Energy: 0.6502199095001007
Energy: 0.45093806601172587
Energy: 0.5286241852659677
Energy: 0.41660779431104944
Energy: 0.5286241852652025
Energy: 0.41734902900367704
Energy: 0.6282559806450301
Energy: 0.5254958262850444
Energy: 0.6282559806434999
Energy: 0.4385687056638477
Energy: 0.6342596686579883
Energy: 0.4173622617061581
Energy: 0.6342596686579883
Energy: 0.41144200381363516
Energy: 0.6503389711555375
Energy: 0.5382526753468616
Energy: 0.6503389711547725
Energy: 0.4028947725635864
Energy: 0.5327786881948415
Energy: 0.4599446723072843
Energy: 0.5327786881956067

minimum gb energy = 0.3989065390636885 eV
minimum distance =  2.48552205803497 Angstroms
sigma value = 41


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

Energy: 0.5324315671620345
Energy: 0.5508755145035266
Energy: 0.49523185940815384
Energy: 0.5508755145041538
Energy: 0.5048047846790561
Energy: 0.37969577175850744
Energy: 0.3722619526458423
Energy: 0.37969577175850744
Energy: 0.38215771682636496
Energy: 0.37370814736755636
Energy: 0.4707167609723049
Energy: 0.37370814736755636
Energy: 0.4448518559914196
Energy: 0.3773700658657096
Energy: 0.3722179208157709
Energy: 0.3773700658657096
Energy: 0.3693472454998035
Energy: 0.5580928693371914
Energy: 0.3860723170477171
Energy: 0.5580928693371914
Energy: 0.3832540015023085
Energy: 0.3766426615412179
Energy: 0.3722947219504888
Energy: 0.3766426615418451
Energy: 0.37158504088260497
Energy: 0.3759368373389671
Energy: 0.3833603741709181
Energy: 0.3759368373383398
Energy: 0.3657028643458965
Energy: 0.4680688223738523
Energy: 0.3699360260745734
Energy: 0.4680688223744795
Energy: 0.37387035163030913
Energy: 0.576098839390748
Energy: 0.4434526698145645
Energy: 0.5760988393913752
Energy: 0.36960143380410687
Energy: 0.37181726171946494
Energy: 0.3826873928255527
Energy: 0.3718172617213467
Energy: 0.3716232490273196
Energy: 0.3787315318959203
Energy: 0.505105764739383
Energy: 0.378731531895293
Energy: 0.3648250790420149
Energy: 0.5494728769609531
Energy: 0.532974083738031
Energy: 0.5494728769609531
Energy: 0.37391653666268254
Energy: 0.5777181836213112
Energy: 0.5054666665352361
Energy: 0.5777181836219385
Energy: 0.45836387718212684
Energy: 0.49846901914837094
Energy: 0.3827608316258426
Energy: 0.49846901914837094
Energy: 0.3715981736388143
Energy: 0.3794239366292409
Energy: 0.4897632411970784
Energy: 0.37942393662798635
Energy: 0.46670403964795254
Energy: 0.578252934249832
Energy: 0.36985561108327114
Energy: 0.578252934249832
Energy: 0.37395098259332743
Energy: 0.5773101466066161
Energy: 0.4597848936835113
Energy: 0.5773101466059888
Energy: 0.46146024204261876
Energy: 0.4960377245707869
Energy: 0.372191900126264
Energy: 0.49603772461657675
Energy: 0.37167072996970846
Energy: 0.4680039772631336
Energy: 0.36527343833909404
Energy: 0.46800397726438814
Energy: 0.44982311754352977
Energy: 0.5782345743831439
Energy: 0.3740739463872446
Energy: 0.5782345743825165
Energy: 0.38443032156553114
Energy: 0.5774739152983318
Energy: 0.36671964293521125
Energy: 0.5774739152989591
Energy: 0.5885818997308401
Energy: 0.6069019339213259
Energy: 0.37219314211463705
Energy: 0.6069019339213259
Energy: 0.5341495150810184
Energy: 0.5495626332469993
Energy: 0.36514817554532064
Energy: 0.5495626332476266
Energy: 0.4958987311888698
Energy: 0.5780125028683033
Energy: 0.37401981663130723
Energy: 0.5780125028683033
Energy: 0.38453830853635707
Energy: 0.5763762176244818
Energy: 0.36718035928204845
Energy: 0.5763762176244818
Energy: 0.48835951002424466
Energy: 0.6056380984719818
Energy: 0.37219138553792613
Energy: 0.6056380984713546
Energy: 0.3717008097017614
Energy: 0.5756434951255582
Energy: 0.4675434889167951
Energy: 0.5756434951255582
Energy: 0.37392144795976673
Energy: 0.5766655546183775
Energy: 0.3739328022764235
Energy: 0.5766655546183775
Energy: 0.37395369705206744
Energy: 0.5996469239840254
Energy: 0.46509999974462224
Energy: 0.5996469239846527
Energy: 0.3696732852899028
Energy: 0.5948333885835314
Energy: 0.374439092707278
Energy: 0.5948333885841587
Energy: 0.3718547114016026
Energy: 0.5758010175211071
Energy: 0.45342784429464206
Energy: 0.5758010175198526
Energy: 0.3696835999624638
Energy: 0.576544871201726
Energy: 0.38706825395071415
Energy: 0.5765448712023533

minimum gb energy = 0.3648250790420149 eV
minimum distance =  2.4786445448049 Angstroms
sigma value = 15


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

Energy: 0.48524931247459957
Energy: 0.5429638719332425
Energy: 0.5073012508405945
Energy: 0.542963871932711
Energy: 0.541515084453232
Energy: 0.5208703399265396
Energy: 0.34999225425144914
Energy: 0.5208703399265396
Energy: 0.36055218508968284
Energy: 0.5003507827954652
Energy: 0.603337240737206
Energy: 0.5003507827944025
Energy: 0.4583424895619086
Energy: 0.5333968960170927
Energy: 0.3498108440226805
Energy: 0.5333968960170927
Energy: 0.3479857757174968
Energy: 0.5492649290350382
Energy: 0.3554144713934322
Energy: 0.5492649290350382
Energy: 0.4074603018863332
Energy: 0.5192789710513227
Energy: 0.34984563267791513
Energy: 0.5192789710513227
Energy: 0.34947552411314803
Energy: 0.4978262423276332
Energy: 0.3563436576617533
Energy: 0.4978262423276332
Energy: 0.3564882925917804
Energy: 0.4996472775399168
Energy: 0.34987632612388864
Energy: 0.4996472775388541
Energy: 0.35102601527276667
Energy: 0.5473503074272567
Energy: 0.4327431981573771
Energy: 0.5473503074261938
Energy: 0.3395603696139374
Energy: 0.5193297146584276
Energy: 0.3484329448444443
Energy: 0.5193297146578961
Energy: 0.34962174271056534
Energy: 0.51963594665167
Energy: 0.45967663403002573
Energy: 0.5196359466511387
Energy: 0.34063936433388936
Energy: 0.35067850587244265
Energy: 0.36085443485105156
Energy: 0.35067850587244265
Energy: 0.351249732506744
Energy: 0.5470664791167932
Energy: 0.5393954618541269
Energy: 0.5470664791173245
Energy: 0.34068772909822476
Energy: 0.554210720064593
Energy: 0.4856748506247319
Energy: 0.5542107200656557
Energy: 0.34949286572477495
Energy: 0.5221061900583682
Energy: 0.5414895045847699
Energy: 0.5221061900588997
Energy: 0.41624948798834854
Energy: 0.5005333060209936
Energy: 0.36091506020425773
Energy: 0.5005333060209936
Energy: 0.351028993121408
Energy: 0.5469734526081688
Energy: 0.4605536356602802
Energy: 0.546973452607106
Energy: 0.43467554721189244
Energy: 0.560045584834045
Energy: 0.3484111410662405
Energy: 0.5600455848345763
Energy: 0.34962496918836344
Energy: 0.5223023039404534
Energy: 0.4084013355721705
Energy: 0.5223023039404534
Energy: 0.42087816440656894
Energy: 0.5219932534111497
Energy: 0.3498718756253815
Energy: 0.5219932534122125
Energy: 0.35095138672002607
Energy: 0.5336397797056691
Energy: 0.3575316627070259
Energy: 0.5336397797056691
Energy: 0.4335956169460687
Energy: 0.5589272008837772
Energy: 0.3527511090500026
Energy: 0.5589272008832458
Energy: 0.34944855131695257
Energy: 0.5218747082719615
Energy: 0.3385325615778035
Energy: 0.5218747082719615
Energy: 0.5165158753813232
Energy: 0.5221264146413944
Energy: 0.3498522774279998
Energy: 0.5221264146413944
Energy: 0.3619053891156536
Energy: 0.5332865216011367
Energy: 0.34079944799329054
Energy: 0.5332865216006052
Energy: 0.5385781251955701
Energy: 0.5585564244825406
Energy: 0.3527664672251752
Energy: 0.5585564244825406
Energy: 0.4863631050932317
Energy: 0.5403072495391058
Energy: 0.33874512635665366
Energy: 0.5403072495385745
Energy: 0.6160716567307037
Energy: 0.5225813257892331
Energy: 0.34984471180277876
Energy: 0.5225813257897644
Energy: 0.36187184401801953
Energy: 0.5591037542811177
Energy: 0.3442816216010924
Energy: 0.5591037542811177
Energy: 0.44610672877453283
Energy: 0.5481082412500993
Energy: 0.35277834318878776
Energy: 0.5481082412500993
Energy: 0.34948426719288117
Energy: 0.5469219026107343
Energy: 0.4290137845804402
Energy: 0.5469219026117971
Energy: 0.44211539251487086
Energy: 0.5219253825279611
Energy: 0.35001159665082054
Energy: 0.5219253825290238
Energy: 0.350978549697643
Energy: 0.5596902094805289
Energy: 0.42860256912288586
Energy: 0.5596902094805289
Energy: 0.341627673428742
Energy: 0.5332043091906687
Energy: 0.3528563360195973
Energy: 0.5332043091906687
Energy: 0.34328754548382834
Energy: 0.5472322209925752
Energy: 0.42859536952376687
Energy: 0.5472322209920437
Energy: 0.34969226737269943
Energy: 0.5217955049358685
Energy: 0.351290425398021
Energy: 0.5217955049363998
Energy: 0.3509229519047388
Energy: 0.5596271437100033
Energy: 0.5171404675692541
Energy: 0.5596271437100033

minimum gb energy = 0.3385325615778035 eV
minimum distance =  2.5680154021773 Angstroms
sigma value = 85


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

Energy: 0.49579361598167304
Energy: 0.5158785976661461
Energy: 0.31003181180069694
Energy: 0.5158785976647635
Energy: 0.5957301004704388
Energy: 0.4822762222383387
Energy: 0.31943520998395275
Energy: 0.4822762222378779
Energy: 0.4768650751459806
Energy: 0.4732161189413952
Energy: 0.37997715979500574
Energy: 0.4732161189423169
Energy: 0.5259156086841543
Energy: 0.47916301907434955
Energy: 0.31933023163833774
Energy: 0.47916301907481046
Energy: 0.3638367089113914
Energy: 0.45812347891931543
Energy: 0.32478928387479267
Energy: 0.45812347891931543
Energy: 0.4603578154551807
Energy: 0.4735101926461346
Energy: 0.3191514821699116
Energy: 0.4735101926470563
Energy: 0.347540758442612
Energy: 0.4647321169883624
Energy: 0.3593221268661433
Energy: 0.4647321169883624
Energy: 0.4162867101325244
Energy: 0.47907177332671486
Energy: 0.323346506254067
Energy: 0.47907177332625406
Energy: 0.3225885192664166
Energy: 0.44879654903282573
Energy: 0.4028950333121959
Energy: 0.44879654903282573
Energy: 0.35903716906317007
Energy: 0.4609001183623427
Energy: 0.3478363277815781
Energy: 0.46090011836280353
Energy: 0.3204081649673988
Energy: 0.47995949653157977
Energy: 0.4604736830158522
Energy: 0.4799594965320406
Energy: 0.32831492568761
Energy: 0.49377825243100953
Energy: 0.3642357554480932
Energy: 0.4937782524305487
Energy: 0.3189847377789523
Energy: 0.4483981551598619
Energy: 0.5643691382742567
Energy: 0.44839815515940107
Energy: 0.30798081529673865
Energy: 0.47316683670835863
Energy: 0.4772179698414081
Energy: 0.47316683670651516
Energy: 0.32027512554064724
Energy: 0.4791697628722363
Energy: 0.5963386426022024
Energy: 0.4791697628722363
Energy: 0.30554171110764433
Energy: 0.5044269302239134
Energy: 0.45681576372809873
Energy: 0.5044269302248351
Energy: 0.3188886606442638
Energy: 0.4486460493998449
Energy: 0.5657969528274307
Energy: 0.448646049399384
Energy: 0.36917141822798105
Energy: 0.47318665901381984
Energy: 0.47721028815048766
Energy: 0.47318665901289814
Energy: 0.3203708050501887
Energy: 0.47898329477905205
Energy: 0.526665831000899
Energy: 0.47898329477997376
Energy: 0.3789720980455019
Energy: 0.5138526558671381
Energy: 0.36419945093079314
Energy: 0.5138526558671381
Energy: 0.31954026058172585
Energy: 0.4230130063498092
Energy: 0.46082760142428986
Energy: 0.42301300635027006
Energy: 0.39954310737702403
Energy: 0.47958455792935795
Energy: 0.3479231321650384
Energy: 0.47958455792935795
Energy: 0.3232974475919881
Energy: 0.478849802147655
Energy: 0.4167026706737969
Energy: 0.47884980214719414
Energy: 0.4023066793811965
Energy: 0.511795140510841
Energy: 0.32316226895513483
Energy: 0.5117951405103801
Energy: 0.3489529962014587
Energy: 0.42677216119791966
Energy: 0.3595580276350191
Energy: 0.4267721611974588
Energy: 0.488945126533585
Energy: 0.4791016946503763
Energy: 0.3195378464445265
Energy: 0.4791016946494545
Energy: 0.36524863003684555
Energy: 0.48967730860556913
Energy: 0.32810717841093695
Energy: 0.4896773086051083
Energy: 0.4954020974549121
Energy: 0.512093895085361
Energy: 0.31948222527572023
Energy: 0.512093895085361
Energy: 0.47813800847075255
Energy: 0.4766176417331468
Energy: 0.307049238784815
Energy: 0.4766176417331468
Energy: 0.6443063150984477
Energy: 0.47907991039936104
Energy: 0.3200144758604804
Energy: 0.47907991039890013
Energy: 0.497054675231338
Energy: 0.5117306263939826
Energy: 0.30656405415004645
Energy: 0.5117306263944436
Energy: 0.5875351384010163
Energy: 0.5150216674696737
Energy: 0.31944407049930107
Energy: 0.5150216674696737
Energy: 0.4782132531156355
Energy: 0.47609672951474713
Energy: 0.3062888254386663
Energy: 0.47609672951474713
Energy: 0.5779386888677569
Energy: 0.47892752382543236
Energy: 0.319945754927874
Energy: 0.47892752382451065
Energy: 0.3653667274087251
Energy: 0.5098451652995569
Energy: 0.37903093712125174
Energy: 0.5098451653000179
Energy: 0.43733842259957817
Energy: 0.5050711725890347
Energy: 0.3206561322546353
Energy: 0.5050711725890347
Energy: 0.3490119638094833
Energy: 0.47941653180678734
Energy: 0.3994970361792586
Energy: 0.47941653180632654
Energy: 0.4312077763151111
Energy: 0.47874795354425626
Energy: 0.3226380158268177
Energy: 0.4787479535437954
Energy: 0.32332616247100743
Energy: 0.5100015933207406
Energy: 0.4021837970908135
Energy: 0.5100015933212014
Energy: 0.33082648569632156
Energy: 0.49819013761963177
Energy: 0.342700406480963
Energy: 0.4981901376200927
Energy: 0.3190549617338349
Energy: 0.4792927195393191
Energy: 0.5023087381821473
Energy: 0.4792927195393191
Energy: 0.3272423326849742
Energy: 0.48997330765273667
Energy: 0.3667241760299532
Energy: 0.4899733076518359
Energy: 0.32029379052436363
Energy: 0.5098102256541502
Energy: 0.49546536744798975
Energy: 0.5098102256541502

minimum gb energy = 0.30554171110764433 eV
minimum distance =  2.55603159418955 Angstroms
sigma value = 113


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

Energy: 0.011735058270067435
Energy: 0.013136785001333924
Energy: 0.39294800776489763
Energy: 0.013136785001333924
Energy: 0.3926159964982333
Energy: 0.1751889353508168
Energy: 0.1755780656774525
Energy: 0.1751889353508168
Energy: 0.011735058269713147
Energy: 0.013136785001333924
Energy: 0.39294800481511205
Energy: 0.013136785001333924
Energy: 0.39261599649892226
Energy: 0.1751889353511514
Energy: 0.17557535858332923
Energy: 0.1751889353508168
Energy: 0.011735058270067435
Energy: 0.013136785001333924
Energy: 0.39294801228534215
Energy: 0.013136785001333924
Energy: 0.39261599649858764
Energy: 0.1751889353508168
Energy: 0.17557061482353936
Energy: 0.17518893535046254

minimum gb energy = 0.011735058269713147 eV
minimum distance =  2.83530856287948 Angstroms
sigma value = 1