Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004_Cu__MO_127245782811_005
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.614959037303926
cohesive_energy=3.5402730691080047
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.013746168819589937
Energy: 0.569421965151628
Energy: 0.013746168819589937
Energy: 0.5694219651510357
Energy: 0.013746168819589937
Energy: 0.5694219651510357
Energy: 0.5694219651519417
Energy: 0.7142604209371899
Energy: 0.5694219651513144
Energy: 0.9150575847996114
Energy: 0.569421965151628
Energy: 0.9613195276857143
Energy: 0.013746168819903553
Energy: 0.5694219651519417
Energy: 0.013746168819589937
Energy: 0.5694219651513144
Energy: 0.013746168819903553
Energy: 0.569421965151628
Energy: 0.5694219651519417
Energy: 0.9150575847996114
Energy: 0.569421965151628
Energy: 0.7540963235916036
Energy: 0.5694219651519417
Energy: 0.7540963235916036
Energy: 0.013746168819589937
Energy: 0.569421965151628
Energy: 0.013746168819903553
Energy: 0.569421965151628
Energy: 0.013746168819903553
Energy: 0.5694219651519417
Energy: 0.5694219651519417
Energy: 0.9613195276857143
Energy: 0.5694219651513144
Energy: 0.7540963235916036
Energy: 0.5694219651522553
Energy: 0.7540963235916036

minimum gb energy = 0.013746168819589937 eV
minimum distance =  2.30253141605777 Angstroms
sigma value = 1


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

Energy: 0.8106630849903549
Energy: 0.7698270235713469
Energy: 0.8106630849911098
Energy: 0.7698270235713469
Energy: 0.8106630849903549
Energy: 0.7698270235736117
Energy: 0.8776494090578206
Energy: 0.7233013587883785
Energy: 0.8776494090563108
Energy: 0.7233013587876237
Energy: 0.8776494090555559
Energy: 0.7233013587876237
Energy: 0.8079990289965309
Energy: 0.7979202671488581
Energy: 0.8079990289965309
Energy: 0.7979202671488581
Energy: 0.8079990289965309
Energy: 0.7979202671465934
Energy: 0.7826377920852994
Energy: 0.757382236857137
Energy: 0.7826377920128623
Energy: 0.757382236857137
Energy: 0.782637791738967
Energy: 0.7573822368578919
Energy: 0.7898408702540501
Energy: 0.8395456886961784
Energy: 0.7898408702548051
Energy: 0.8395456886954236
Energy: 0.7898408702555602
Energy: 0.8395456886954236
Energy: 0.8193122400700925
Energy: 0.7447615340125275
Energy: 0.8193122400700925
Energy: 0.7447615340132825
Energy: 0.8193122400716024
Energy: 0.7447615340125275
Energy: 0.7779313127931634
Energy: 0.8012452580803805
Energy: 0.7779313127946732
Energy: 0.8012452580781158
Energy: 0.7779313127976929
Energy: 0.8012452580796255
Energy: 0.7563347474283677
Energy: 0.8577081903674791
Energy: 0.7563347474276129
Energy: 0.8577081903689887
Energy: 0.7563347474276129
Energy: 0.857708190368234
Energy: 0.8251127619229218
Energy: 0.810713962311991
Energy: 0.8251127619229218
Energy: 0.810713962311991
Energy: 0.8251127619236768
Energy: 0.810713962311991
Energy: 0.7136942375088626
Energy: 0.8505053374408461
Energy: 0.7136942375088626
Energy: 0.850505337441601
Energy: 0.7136942375088626
Energy: 0.8505053374438657
Energy: 0.8300371803011555
Energy: 0.7353750946706104
Energy: 0.8300371802988906
Energy: 0.7353750946698555
Energy: 0.8300371803011555
Energy: 0.7353750946706104
Energy: 0.6987362008947696
Energy: 0.7998661674625809
Energy: 0.6987362008947696
Energy: 0.7998608077535156
Energy: 0.6987362008947696
Energy: 0.7998448979031856
Energy: 0.8776731410413754
Energy: 0.6934997194792172
Energy: 0.8776731410398656
Energy: 0.6934997194792172
Energy: 0.8776731410421302
Energy: 0.6934997194784623
Energy: 0.7421029424366626
Energy: 0.7537885501030906
Energy: 0.7421029424366626
Energy: 0.753788550101581
Energy: 0.7421029424366626
Energy: 0.7537885501023358
Energy: 0.8938721643052924
Energy: 0.7223159878362811
Energy: 0.8938721643060472
Energy: 0.7223159878355262
Energy: 0.8938721643052924
Energy: 0.7223159878355262
Energy: 0.8894468252972902
Energy: 0.8144893466302916
Energy: 0.8894468252980453
Energy: 0.8144893466302916
Energy: 0.8894468252972902
Energy: 0.8144893466302916
Energy: 0.7982434431225884
Energy: 0.7968738477818111
Energy: 0.7982434431233433
Energy: 0.7968738477833209
Energy: 0.7982434431210785
Energy: 0.7968738477840759
Energy: 0.7982205513500469
Energy: 0.7550558579597126
Energy: 0.7982205513545764
Energy: 0.7550558579582028
Energy: 0.7982205513538215
Energy: 0.755055857964997
Energy: 0.7151232125839593
Energy: 0.7575228510637904
Energy: 0.7151232125854692
Energy: 0.7575228510622807
Energy: 0.7151232125839593
Energy: 0.7575228510637904
Energy: 0.8089246617673146
Energy: 0.7447150592508089
Energy: 0.8089246617688243
Energy: 0.7447150592508089
Energy: 0.8089246617673146
Energy: 0.744715059250054
Energy: 0.7264762751892655
Energy: 0.8737062847692703
Energy: 0.7264762751892655
Energy: 0.8737062847685154
Energy: 0.7264762751885105
Energy: 0.8737062847670055
Energy: 0.8183654177805301
Energy: 0.8028364581477089
Energy: 0.8183654177835497
Energy: 0.8028364581477089
Energy: 0.8183654177820399
Energy: 0.8028364581469539
Energy: 0.6943690998845633
Energy: 0.8645168521068787
Energy: 0.6943690998853181
Energy: 0.8645168521083884
Energy: 0.6943690998860731
Energy: 0.8645168521061236

minimum gb energy = 0.6934997194784623 eV
minimum distance =  2.3012915089267 Angstroms
sigma value = 33


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

Energy: 0.8534956641774363
Energy: 0.8512421164882922
Energy: 0.8129464243107184
Energy: 0.8512421164882922
Energy: 0.8534956641778656
Energy: 0.8512421164878626
Energy: 0.8474083132343591
Energy: 0.7574760287137344
Energy: 0.8474083132399413
Energy: 0.7574760287137344
Energy: 0.8474083132438056
Energy: 0.7574760287137344
Energy: 0.7224264393746208
Energy: 0.760590793272773
Energy: 0.7224264393771971
Energy: 0.7605907932654732
Energy: 0.7224264393763382
Energy: 0.7605907932646145
Energy: 0.8366116171302872
Energy: 0.8135835428994198
Energy: 0.8366116171281401
Energy: 0.8135835428938378
Energy: 0.8366116171195915
Energy: 0.8135835428912613
Energy: 0.7974054679718534
Energy: 0.7873099467370935
Energy: 0.7974054679701358
Energy: 0.7873099467375231
Energy: 0.7974054679662713
Energy: 0.78730994673967
Energy: 0.7698211870257553
Energy: 0.6964018366548478
Energy: 0.7698211870244671
Energy: 0.6964018366617181
Energy: 0.7698211870274729
Energy: 0.69640183666043
Energy: 0.8568264133040172
Energy: 0.8298660422300896
Energy: 0.8568264132988646
Energy: 0.8298660422330953
Energy: 0.856826413295
Energy: 0.8298660422330953
Energy: 0.6871193565982996
Energy: 0.857316210099453
Energy: 0.6871193565957231
Energy: 0.8573162100943003
Energy: 0.6871193565961525
Energy: 0.8573162100728697
Energy: 0.7209766712662796
Energy: 0.7213567103414475
Energy: 0.7209766712628445
Energy: 0.7213567103444533
Energy: 0.7209766712658502
Energy: 0.7213567103444533
Energy: 0.7258106664880768
Energy: 0.659129923117149
Energy: 0.7258099241613597
Energy: 0.6593553915837526
Energy: 0.7258106664867885
Energy: 0.6530750796562046
Energy: 0.8553718469773255
Energy: 0.7226455410658542
Energy: 0.8553718469781844
Energy: 0.7226455410637072
Energy: 0.8553718469794724
Energy: 0.7226455410628485
Energy: 0.7215544034094433
Energy: 0.7608685484661785
Energy: 0.7215544496089219
Energy: 0.7608685484640315
Energy: 0.7215544034133078
Energy: 0.7608685484653198
Energy: 0.8144929607126266
Energy: 0.7216403847700047
Energy: 0.8144929607006036
Energy: 0.7216403847644226
Energy: 0.8144929606872925
Energy: 0.7216403847657107
Energy: 0.8239148231782454
Energy: 0.8556894455616113
Energy: 0.8239148231816805
Energy: 0.8556894455616113
Energy: 0.8239148231812511
Energy: 0.8556894455598937
Energy: 0.7925020006580717
Energy: 0.7622975079096712
Energy: 0.792502000664942
Energy: 0.7622975079071338
Energy: 0.7925020006645125
Energy: 0.7622975079075632
Energy: 0.7196616952507823
Energy: 0.7610213442816344
Energy: 0.719661695251641
Energy: 0.7610213442842108
Energy: 0.719661695251641
Energy: 0.7610213442824931
Energy: 0.861102264042812
Energy: 0.8142452980244858
Energy: 0.8611022640423827
Energy: 0.8142452980240564
Energy: 0.8611022640423827
Energy: 0.8142452980253444
Energy: 0.7998516102268932
Energy: 0.6970679897597699
Energy: 0.7998516102273225
Energy: 0.6970679897614874
Energy: 0.7998516102273225
Energy: 0.6970679897619168
Energy: 0.7712415449787667
Energy: 0.7747931797178268
Energy: 0.7712415449791961
Energy: 0.7747931797173975
Energy: 0.7712415449800549
Energy: 0.7747931797186856
Energy: 0.8523246440509168
Energy: 0.815326971387723
Energy: 0.8523246440534932
Energy: 0.815326971377847
Energy: 0.852324644054313
Energy: 0.8153269713782765
Energy: 0.685907573283347
Energy: 0.8237036950334681
Energy: 0.6859075732803411
Energy: 0.823703474888331
Energy: 0.6859075732790529
Energy: 0.8237034516209927
Energy: 0.7606905916733261
Energy: 0.7237272401553922
Energy: 0.7606905916758633
Energy: 0.7237272401541041
Energy: 0.7606905916724672
Energy: 0.7237272401549629
Energy: 0.7232367501512068
Energy: 0.6707050573780766
Energy: 0.7232388952778378
Energy: 0.6704973288862667
Energy: 0.7232367501542125
Energy: 0.653193385446807
Energy: 0.8550726043145348
Energy: 0.793430184550069
Energy: 0.8550726043136762
Energy: 0.7934301845535039
Energy: 0.8550726043102799
Energy: 0.7934301845535039
Energy: 0.72251457884369
Energy: 0.7698363342988797
Energy: 0.7226882789749204
Energy: 0.7698363343053206
Energy: 0.7225145788441194
Energy: 0.7698363343057499
Energy: 0.8744556043658244
Energy: 0.8439313914593509
Energy: 0.8130121347177347
Energy: 0.8439313914567746
Energy: 0.8744556043684008
Energy: 0.8439313914563452
Energy: 0.8600118258819336
Energy: 0.8331648488149304
Energy: 0.8131775296259498
Energy: 0.8331648488170773
Energy: 0.8600118258797866
Energy: 0.8331648488149304
Energy: 0.722374214229935
Energy: 0.7614978382654114
Energy: 0.7223742142269292
Energy: 0.7614978382697054
Energy: 0.7223742142269292
Energy: 0.7614978382684172
Energy: 0.6534004462299576
Energy: 0.7573522280100061
Energy: 0.6535934257824401
Energy: 0.7573522280147296
Energy: 0.6535647958406594
Energy: 0.7573522280147296
Energy: 0.7240214879291169
Energy: 0.8539327815817096
Energy: 0.7240214879338402
Energy: 0.8539327815860035
Energy: 0.7240214879359873
Energy: 0.8539327815855742
Energy: 0.7989150231918997
Energy: 0.6961246988722088
Energy: 0.7989150231927586
Energy: 0.6961246988692031
Energy: 0.7989150231957642
Energy: 0.6961246988696326
Energy: 0.7210587753127389
Energy: 0.8259192721558385
Energy: 0.7210587753123093
Energy: 0.825919272157556
Energy: 0.7210587753166033
Energy: 0.8259192721558385
Energy: 0.8527684291123335
Energy: 0.8153449836249906
Energy: 0.8527684291131922
Energy: 0.8153449836262786
Energy: 0.8527684291153391
Energy: 0.8153449836258493
Energy: 0.7636883081558539
Energy: 0.7927312983650877
Energy: 0.7636883081571418
Energy: 0.792731298362082
Energy: 0.7636883081622945
Energy: 0.7927312983530649
Energy: 0.7609792192398379
Energy: 0.7198730036616494
Energy: 0.7609792192372615
Energy: 0.7198730036586436
Energy: 0.7609792192303912
Energy: 0.719873003659073
Energy: 0.8181423391798182
Energy: 0.8382796799175898
Energy: 0.8181423391763829
Energy: 0.8382796799227424
Energy: 0.8181423391776712
Energy: 0.8382796799214544
Energy: 0.7195853564993882
Energy: 0.7973921580307528
Energy: 0.7195875088279892
Energy: 0.7973921580286057
Energy: 0.7195853565032527
Energy: 0.7973921580273177
Energy: 0.7745505263707055
Energy: 0.7713158791007304
Energy: 0.7745505263694173
Energy: 0.7713158790947188
Energy: 0.7745505263689879
Energy: 0.77131587909386
Energy: 0.8239180434477156
Energy: 0.8556552824237796
Energy: 0.8239180434438512
Energy: 0.8556552824177682
Energy: 0.8239180434451393
Energy: 0.8556552824173388
Energy: 0.8245665392404135
Energy: 0.6864555218703666
Energy: 0.8245665387258087
Energy: 0.6864555218665411
Energy: 0.8245665186602785
Energy: 0.6864555218656825
Energy: 0.7215561848313244
Energy: 0.7179844344229539
Energy: 0.7215561848296069
Energy: 0.7179844344178012
Energy: 0.7215561848330421
Energy: 0.7179844344178012

minimum gb energy = 0.6530750796562046 eV
minimum distance =  2.41464655331302 Angstroms
sigma value = 51


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

Energy: 0.7813288588680565
Energy: 0.8038178909256336
Energy: 0.7813288588680565
Energy: 0.8038178909256336
Energy: 0.7813288588680565
Energy: 0.8038178909256336
Energy: 0.8497559960227318
Energy: 0.7594392465401001
Energy: 0.8497559960207418
Energy: 0.7594392465391052
Energy: 0.8497559960217369
Energy: 0.7594392465391052
Energy: 0.7631015230750567
Energy: 0.792828266351711
Energy: 0.7631015230770465
Energy: 0.7928282663527059
Energy: 0.7631015230800311
Energy: 0.7928282663556906
Energy: 0.7814802319507347
Energy: 0.7043116503061561
Energy: 0.7814802319527244
Energy: 0.7043116503061561
Energy: 0.7814802319537194
Energy: 0.7043116503061561
Energy: 0.8014463653084767
Energy: 0.7645046433528616
Energy: 0.8014463653074817
Energy: 0.7645046433558463
Energy: 0.8014463653074817
Energy: 0.7645046433558463
Energy: 0.8475166533663658
Energy: 0.7641887359071421
Energy: 0.8475166533673607
Energy: 0.7641887359101268
Energy: 0.8475166533663658
Energy: 0.7641887359071421
Energy: 0.7902750380552712
Energy: 0.7641023457545688
Energy: 0.7902750380552712
Energy: 0.7641023457555637
Energy: 0.7902750380552712
Energy: 0.7641023457575534
Energy: 0.732429667321329
Energy: 0.7648841858563108
Energy: 0.7324296673223237
Energy: 0.7648841858553158
Energy: 0.7324296673223237
Energy: 0.7648841858533261
Energy: 0.8815818052893051
Energy: 0.7010799116828568
Energy: 0.881581811790015
Energy: 0.7010799116828568
Energy: 0.8815818113633875
Energy: 0.7010799116828568
Energy: 0.7119248566032945
Energy: 0.63206470749118
Energy: 0.711924856602345
Energy: 0.6320670976884124
Energy: 0.711924856602345
Energy: 0.6321695427684187
Energy: 0.8298415008826074
Energy: 0.7040631008445342
Energy: 0.8298415008816126
Energy: 0.7040631008435394
Energy: 0.8298415008816126
Energy: 0.7040631008435394
Energy: 0.7829896232918088
Energy: 0.8053038195866682
Energy: 0.7829896232918088
Energy: 0.8053038195866682
Energy: 0.7829896232918088
Energy: 0.8053038195866682
Energy: 0.846855061043914
Energy: 0.7595721873142116
Energy: 0.8468522120831985
Energy: 0.7595721873142116
Energy: 0.8468445332978868
Energy: 0.7595721873142116
Energy: 0.7633637555433929
Energy: 0.7359539887173709
Energy: 0.7633637555433929
Energy: 0.7359539887173709
Energy: 0.763363755542398
Energy: 0.735953988718366
Energy: 0.7819611107846044
Energy: 0.7845896852092186
Energy: 0.7819611107855994
Energy: 0.7845896852092186
Energy: 0.7819611107855994
Energy: 0.7845896852082237
Energy: 0.8001980508988599
Energy: 0.7641589997537147
Energy: 0.8001980508998549
Energy: 0.7641589997557044
Energy: 0.8001980508968702
Energy: 0.7641589997537147
Energy: 0.8009823108742644
Energy: 0.8302974661390947
Energy: 0.8009823108742644
Energy: 0.8302974661400896
Energy: 0.8009823108752142
Energy: 0.8302974661400896
Energy: 0.7872706544994365
Energy: 0.7681745091567951
Energy: 0.7872706544994365
Energy: 0.7681745091567951
Energy: 0.7872706544994365
Energy: 0.7681745091567951

minimum gb energy = 0.63206470749118 eV
minimum distance =  2.2886838174101 Angstroms
sigma value = 19


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

Energy: 0.6339971102168531
Energy: 0.674045681061647
Energy: 0.6339971102168531
Energy: 0.6740456810610569
Energy: 0.6339971102168531
Energy: 0.674045681061647
Energy: 0.7299771394120304
Energy: 0.7790527837431398
Energy: 0.7299771394037684
Energy: 0.7790527837431398
Energy: 0.7299771393990473
Energy: 0.7790527837431398
Energy: 0.6295154392716601
Energy: 0.7789329845747935
Energy: 0.6295154392722502
Energy: 0.7789329845730231
Energy: 0.6295154392722502
Energy: 0.7789329845730231
Energy: 0.6702037835268598
Energy: 0.6294792765302777
Energy: 0.6702037835297837
Energy: 0.629479276530868
Energy: 0.6702037835280132
Energy: 0.629479276532048
Energy: 0.636354856228774
Energy: 0.6326565618264337
Energy: 0.636354856229364
Energy: 0.6326565618264337
Energy: 0.6363548562311345
Energy: 0.6326565618258434
Energy: 0.6363059274730395
Energy: 0.632578279103242
Energy: 0.6363059274718592
Energy: 0.6325782791044224
Energy: 0.6363059274671381
Energy: 0.6325782791056026
Energy: 0.670171774690229
Energy: 0.6294541091863647
Energy: 0.6701717746896388
Energy: 0.6294541091857745
Energy: 0.6701717746843275
Energy: 0.6294541091857745
Energy: 0.6295129362785356
Energy: 0.7788418522933183
Energy: 0.6295129362785356
Energy: 0.7788418522921379
Energy: 0.6295129362791256
Energy: 0.7788418522944984
Energy: 0.7299604190671476
Energy: 0.7790592053195348
Energy: 0.7299604190665574
Energy: 0.7790592053195348
Energy: 0.7299604190700983
Energy: 0.7790592053195348
Energy: 0.6339971102168531
Energy: 0.6740456810610569
Energy: 0.6339971102168531
Energy: 0.6740456810610569
Energy: 0.6339971102168531
Energy: 0.674045681061647
Energy: 0.7299771394102599
Energy: 0.7790527837431398
Energy: 0.729977139402588
Energy: 0.7790527837425496
Energy: 0.7299771394037684
Energy: 0.7790527837437299
Energy: 0.6295154392728404
Energy: 0.7789329845730231
Energy: 0.6295154392722502
Energy: 0.7789329845718429
Energy: 0.6295154392722502
Energy: 0.7789329845742035
Energy: 0.6702037835286034
Energy: 0.629479276530868
Energy: 0.6702037835268598
Energy: 0.629479276530868
Energy: 0.6702037835286034
Energy: 0.629479276532048
Energy: 0.6363548562311345
Energy: 0.6326565618264337
Energy: 0.6363548562323148
Energy: 0.6326565618252534
Energy: 0.6363548562311345
Energy: 0.632656561823483
Energy: 0.6363059274677283
Energy: 0.6325782791038322
Energy: 0.636305927471269
Energy: 0.6325782791050125
Energy: 0.6363059274683183
Energy: 0.6325782791056026
Energy: 0.6701717746884585
Energy: 0.6294541091869548
Energy: 0.6701717746884585
Energy: 0.6294541091857745
Energy: 0.6701717746872783
Energy: 0.6294541091857745
Energy: 0.6295129362785356
Energy: 0.7788418522903674
Energy: 0.6295129362779454
Energy: 0.7788418522909576
Energy: 0.6295129362785356
Energy: 0.7788418522915478
Energy: 0.7299604190630167
Energy: 0.7790592053195348
Energy: 0.7299604190695081
Energy: 0.7790592053189446
Energy: 0.7299604190712786
Energy: 0.7790592053189446
Energy: 0.6339971102168531
Energy: 0.674045681061647
Energy: 0.6339971102168531
Energy: 0.6740456810610569
Energy: 0.6339971102168531
Energy: 0.674045681061647
Energy: 0.729977139406719
Energy: 0.7790527837425496
Energy: 0.7299771394049486
Energy: 0.7790527837425496
Energy: 0.7299771394043585
Energy: 0.7790527837437299
Energy: 0.6295154392722502
Energy: 0.7789329845742035
Energy: 0.6295154392716601
Energy: 0.778932984572433
Energy: 0.6295154392722502
Energy: 0.7789329845747935
Energy: 0.6702037835280132
Energy: 0.629479276530868
Energy: 0.6702037835262697
Energy: 0.629479276531458
Energy: 0.6702037835244992
Energy: 0.6294792765326382
Energy: 0.6363548562275938
Energy: 0.6326565618282041
Energy: 0.636354856229364
Energy: 0.6326565618258434
Energy: 0.6363548562311345
Energy: 0.6326565618252534
Energy: 0.6363059274694987
Energy: 0.6325782791056026
Energy: 0.6363059274659578
Energy: 0.6325782791050125
Energy: 0.636305927471269
Energy: 0.6325782791085532
Energy: 0.6701717746908191
Energy: 0.6294541091863647
Energy: 0.6701717746884585
Energy: 0.6294541091857745
Energy: 0.6701717746843275
Energy: 0.6294541091857745
Energy: 0.6295129362779454
Energy: 0.7788418522903674
Energy: 0.6295129362791256
Energy: 0.7788418522915478
Energy: 0.6295129362791256
Energy: 0.7788418522915478
Energy: 0.7299604190659674
Energy: 0.7790592053195348
Energy: 0.7299604190659674
Energy: 0.7790592053189446
Energy: 0.7299604190712786
Energy: 0.7790592053195348
Energy: 0.633997110216263
Energy: 0.6740456810610569
Energy: 0.6339971102168531
Energy: 0.674045681061647
Energy: 0.633997110216263
Energy: 0.674045681061647
Energy: 0.7299771394114403
Energy: 0.7790527837419595
Energy: 0.729977139402588
Energy: 0.7790527837425496
Energy: 0.7299771394019979
Energy: 0.7790527837437299
Energy: 0.6295154392722502
Energy: 0.7789329845718429
Energy: 0.6295154392716601
Energy: 0.7789329845718429
Energy: 0.6295154392728404
Energy: 0.7789329845730231

minimum gb energy = 0.6294541091857745 eV
minimum distance =  2.32239216939918 Angstroms
sigma value = 27


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

Energy: 0.6226006566147659
Energy: 0.6170521001516597
Energy: 0.6226006566147659
Energy: 0.6170521001516597
Energy: 0.6226006566147659
Energy: 0.6170521001516597
Energy: 0.7271496968184877
Energy: 0.6358239906442694
Energy: 0.7271496968155966
Energy: 0.635823990642824
Energy: 0.7271496968155966
Energy: 0.6358239906399329
Energy: 0.609133641906914
Energy: 0.6865020757617313
Energy: 0.6091336419098051
Energy: 0.686502075755949
Energy: 0.6091336419112506
Energy: 0.6865020757573946
Energy: 0.7019633517242456
Energy: 0.5976565795997013
Energy: 0.7019633517228
Energy: 0.5976565796011469
Energy: 0.7019633517256911
Energy: 0.5976565796025924
Energy: 0.7591036918128976
Energy: 0.5975689757510456
Energy: 0.7591036918128976
Energy: 0.5975689757496
Energy: 0.7591036918128976
Energy: 0.5975689757481546
Energy: 0.7251337543947961
Energy: 0.7404615768927462
Energy: 0.7251337543962417
Energy: 0.7404615768956372
Energy: 0.7251337543947961
Energy: 0.7404615768941917
Energy: 0.6092025609487606
Energy: 0.6372191524914604
Energy: 0.6092025609458694
Energy: 0.6372191524914604
Energy: 0.6092025609473151
Energy: 0.6372191524914604
Energy: 0.6187999321492508
Energy: 0.6204099169232732
Energy: 0.6187999321506964
Energy: 0.6204099169232732
Energy: 0.6187999321506964
Energy: 0.6204099169232732
Energy: 0.6836235440708849
Energy: 0.644704566004441
Energy: 0.6836235440708849
Energy: 0.6447045631680876
Energy: 0.6836235440679937
Energy: 0.6447045658729622
Energy: 0.6897117029035144
Energy: 0.7198916765350953
Energy: 0.6897117029035144
Energy: 0.7198916765379865
Energy: 0.6897117029035144
Energy: 0.7198916765350953
Energy: 0.6504715058179757
Energy: 0.597611989292212
Energy: 0.6504715058194213
Energy: 0.597611989292212
Energy: 0.6504715058179757
Energy: 0.597611989292212
Energy: 0.7582093399835304
Energy: 0.6834716759181333
Energy: 0.7582093399820846
Energy: 0.6834716759181333
Energy: 0.7582093399820846
Energy: 0.6834716759166877

minimum gb energy = 0.5975689757481546 eV
minimum distance =  2.28229257383726 Angstroms
sigma value = 9


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

Energy: 0.6203889787132336
Energy: 0.5787415223406782
Energy: 0.6203889787116089
Energy: 0.5787415223406782
Energy: 0.6203889787128274
Energy: 0.578741522340272
Energy: 0.5811237499940366
Energy: 0.547997214664659
Energy: 0.5811237500188126
Energy: 0.5479972146638467
Energy: 0.5811237499575189
Energy: 0.5997436051706766
Energy: 0.5559785807126997
Energy: 0.5990292862556741
Energy: 0.5559785807102626
Energy: 0.5990292862540494
Energy: 0.555978580711075
Energy: 0.5990292862544556
Energy: 0.5652354495984179
Energy: 0.5446100039461926
Energy: 0.5652354495992302
Energy: 0.5446100039461926
Energy: 0.5652354495984179
Energy: 0.5446100039461926
Energy: 0.6107470232025941
Energy: 0.5782343526533733
Energy: 0.6107470232009694
Energy: 0.5782343526533733
Energy: 0.6107470232030002
Energy: 0.5782343526529672
Energy: 0.6048016131994811
Energy: 0.5976442254661377
Energy: 0.6048016132006996
Energy: 0.5976442254681684
Energy: 0.604801613199075
Energy: 0.6648088579363592
Energy: 0.5729123616019806
Energy: 0.63726857146687
Energy: 0.5729123615995437
Energy: 0.63726857146687
Energy: 0.5729123616027929
Energy: 0.6372685714660576
Energy: 0.530603359894739
Energy: 0.5947739238830604
Energy: 0.530603359892302
Energy: 0.5947739238834665
Energy: 0.5306033598935205
Energy: 0.5947739238830604
Energy: 0.6113994625113699
Energy: 0.5785059422000621
Energy: 0.611399462513807
Energy: 0.5785059422008744
Energy: 0.6113994625121822
Energy: 0.5785059422008744
Energy: 0.6069691400540725
Energy: 0.5789371542862578
Energy: 0.6069691400528541
Energy: 0.578933528988767
Energy: 0.6069691400520417
Energy: 0.5789275035894762
Energy: 0.5650572142241012
Energy: 0.5404010549115307
Energy: 0.5650572142273503
Energy: 0.5404010549111246
Energy: 0.5650572142241012
Energy: 0.5404010549115307
Energy: 0.5816061530986617
Energy: 0.601586497285261
Energy: 0.5816061530990679
Energy: 0.601586497285261
Energy: 0.5816061530990679
Energy: 0.6015864972848549
Energy: 0.5837456579141581
Energy: 0.5993668430708601
Energy: 0.583745657913752
Energy: 0.5993668430712662
Energy: 0.5837456579222813
Energy: 0.5993668430700477
Energy: 0.6179008007878704
Energy: 0.554737864415928
Energy: 0.6179008007797471
Energy: 0.5547378644110539
Energy: 0.6179008007785285
Energy: 0.5547378644118662
Energy: 0.5504294138594887
Energy: 0.6105112609600981
Energy: 0.5504294138574579
Energy: 0.6105112609605043
Energy: 0.5504294138582703
Energy: 0.6105112609613167
Energy: 0.5573074640643795
Energy: 0.5949624017434056
Energy: 0.5573074640615364
Energy: 0.5949624017450303
Energy: 0.5573074640627549
Energy: 0.5949624017446241
Energy: 0.6783509041223498
Energy: 0.5368550011981358
Energy: 0.6783509041215374
Energy: 0.5368550009736387
Energy: 0.6783509041227558
Energy: 0.5368550006362651
Energy: 0.5595813402852887
Energy: 0.5822356242006894
Energy: 0.5595813402828517
Energy: 0.5822356242010956
Energy: 0.5595813402852887
Energy: 0.5822356242015018
Energy: 0.534604220315506
Energy: 0.6092547664288307
Energy: 0.534604220315506
Energy: 0.6092547664284246
Energy: 0.5346042203163184
Energy: 0.6092547664077103
Energy: 0.6447114172545727
Energy: 0.5717539347452484
Energy: 0.6447114172517296
Energy: 0.571753934744436
Energy: 0.6447114172496988
Energy: 0.571753934744436
Energy: 0.5346007548227838
Energy: 0.6091793943994676
Energy: 0.5346007548223777
Energy: 0.6091793943994676
Energy: 0.5346007548223777
Energy: 0.6091793944043414
Energy: 0.5609603832830714
Energy: 0.5821085131314421
Energy: 0.5609603832810407
Energy: 0.5821085131314421
Energy: 0.5609603832790099
Energy: 0.5821085131314421
Energy: 0.6782871437448548
Energy: 0.5368174042557543
Energy: 0.6782871437444485
Energy: 0.5368174041968976
Energy: 0.6782871437460732
Energy: 0.5368174039260979
Energy: 0.5575503961364511
Energy: 0.6141055888669339
Energy: 0.5575503961352326
Energy: 0.6141055888689647
Energy: 0.5575503961250786
Energy: 0.6141055888701832
Energy: 0.5504014303378317
Energy: 0.611083011034058
Energy: 0.5504014303374256
Energy: 0.6110830110356827
Energy: 0.5504014303374256
Energy: 0.6110830110356827
Energy: 0.6178326329733329
Energy: 0.6049497806846068
Energy: 0.6178326329696773
Energy: 0.6049497806837945
Energy: 0.6178326329733329
Energy: 0.6049497806866375
Energy: 0.5840252342151467
Energy: 0.5989116943931456
Energy: 0.5840252342200206
Energy: 0.5989116943879025
Energy: 0.584025234215959
Energy: 0.5989116943919641
Energy: 0.5815405696734022
Energy: 0.5897260444438953
Energy: 0.5815405696725898
Energy: 0.5897260444467385
Energy: 0.5815405696746206
Energy: 0.5897260444418645
Energy: 0.5650644146523094
Energy: 0.5404253507735204
Energy: 0.5650644146535279
Energy: 0.5404253507731142
Energy: 0.565064414653934
Energy: 0.5404253507731142
Energy: 0.6070211279180951
Energy: 0.5607713573239527
Energy: 0.6070211279180951
Energy: 0.5607713573316698
Energy: 0.607021127917689
Energy: 0.5607713572793116
Energy: 0.6115904600744585
Energy: 0.578559898531888
Energy: 0.6115904600752708
Energy: 0.578559898531888
Energy: 0.611590460075677
Energy: 0.578559898531888
Energy: 0.530629035674026
Energy: 0.5947640540305125
Energy: 0.5306290356736199
Energy: 0.5947640540309186
Energy: 0.5306290356732136
Energy: 0.5947640540313248
Energy: 0.5731525510746741
Energy: 0.6372404592289458
Energy: 0.5731525510746741
Energy: 0.637240459229352
Energy: 0.5731525510783295
Energy: 0.637240459229352
Energy: 0.6049068573400683
Energy: 0.5978422291559057
Energy: 0.6049068573420993
Energy: 0.597842229157124
Energy: 0.6049068573372252
Energy: 0.5978422291530626
Energy: 0.6107455626133818
Energy: 0.5782134514592353
Energy: 0.6107455626137879
Energy: 0.5782134514588291
Energy: 0.6107455626141941
Energy: 0.5782134514592353
Energy: 0.5652120899860528
Energy: 0.5391724795626178
Energy: 0.5652120899852404
Energy: 0.539172479563024
Energy: 0.5652120899868651
Energy: 0.539172479560587
Energy: 0.5559362366859991
Energy: 0.599030470321009
Energy: 0.555936236690467
Energy: 0.5990304703201967
Energy: 0.5559362366851868
Energy: 0.5990304703181659
Energy: 0.5811021453811672
Energy: 0.5482007682196679
Energy: 0.581102145330397
Energy: 0.5482007682200741
Energy: 0.5811021453121565
Energy: 0.5482007682196679
Energy: 0.620388978708766
Energy: 0.5787415223423028
Energy: 0.6203889787079536
Energy: 0.5787415223427089
Energy: 0.6203889787083597
Energy: 0.5787415223423028
Energy: 0.581123750017188
Energy: 0.5742511961677874
Energy: 0.5811237500037846
Energy: 0.5742511961673813
Energy: 0.5811237499944428
Energy: 0.5742511961677874
Energy: 0.5559785807066072
Energy: 0.5990292862508
Energy: 0.5559785807053886
Energy: 0.5990292862499877
Energy: 0.555978580706201
Energy: 0.5990292862467385
Energy: 0.5652354495955748
Energy: 0.5446100039482236
Energy: 0.5652354495971994
Energy: 0.5446100039486297
Energy: 0.5652354495984179
Energy: 0.5446100039490359
Energy: 0.6107470232082803
Energy: 0.5782343526533733
Energy: 0.6107470232074681
Energy: 0.5782343526537794
Energy: 0.6107470232094988
Energy: 0.5782343526537794

minimum gb energy = 0.530603359892302 eV
minimum distance =  2.38007617280805 Angstroms
sigma value = 57


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

Energy: 0.26031652580983705
Energy: 0.2681411810850142
Energy: 0.26031652580983705
Energy: 0.2681411810850142
Energy: 0.26031652580891246
Energy: 0.2681411810850142
Energy: 0.3102067806994441
Energy: 0.26071987004957187
Energy: 0.3102067806994441
Energy: 0.26071987004957187
Energy: 0.3102067806994441
Energy: 0.26071987004957187
Energy: 0.2840362932892893
Energy: 0.3200384777055745
Energy: 0.2840362932883647
Energy: 0.32003847770464994
Energy: 0.2840362932892893
Energy: 0.3200384777055745
Energy: 0.270258366117899
Energy: 0.2598707685191511
Energy: 0.2702583661188236
Energy: 0.2598707685191511
Energy: 0.270258366117899
Energy: 0.2598707685200757
Energy: 0.31016297003332927
Energy: 0.3143880039129112
Energy: 0.31016297003332927
Energy: 0.3143880039138357
Energy: 0.31016297003240473
Energy: 0.3143880039138357
Energy: 0.26009158990591313
Energy: 0.28459218006324305
Energy: 0.2600915899049885
Energy: 0.28459218006324305
Energy: 0.26009158990591313
Energy: 0.28459218006324305
Energy: 0.2600985201771934
Energy: 0.28463265197337206
Energy: 0.260098520178118
Energy: 0.2846326519742966
Energy: 0.260098520178118
Energy: 0.28463265197337206
Energy: 0.3101769826476339
Energy: 0.31435339954480745
Energy: 0.31017698264855853
Energy: 0.31435339954480745
Energy: 0.3101769826467093
Energy: 0.31435339954480745
Energy: 0.2702591323629947
Energy: 0.25988222797362026
Energy: 0.2702591323629947
Energy: 0.25988222797362026
Energy: 0.2702591323629947
Energy: 0.25988222797362026
Energy: 0.28398515011683145
Energy: 0.3199758732691747
Energy: 0.28398515011683145
Energy: 0.3199758732691747
Energy: 0.28398515011683145
Energy: 0.3199758732691747
Energy: 0.31027138691186734
Energy: 0.26094042602433154
Energy: 0.31027138691186734
Energy: 0.26094042602340695
Energy: 0.31027138691186734
Energy: 0.26094042602340695
Energy: 0.26031652580891246
Energy: 0.2681411810850142
Energy: 0.26031652580983705
Energy: 0.2681411810850142
Energy: 0.26031652580891246
Energy: 0.2681411810850142
Energy: 0.3102067806994441
Energy: 0.26071987004957187
Energy: 0.3102067806994441
Energy: 0.26071987004957187
Energy: 0.3102067806994441
Energy: 0.26071987004957187
Energy: 0.2840362932892893
Energy: 0.3200384777055745
Energy: 0.2840362932892893
Energy: 0.3200384777055745
Energy: 0.2840362932892893
Energy: 0.3200384777055745
Energy: 0.2702583661188236
Energy: 0.2598707685191511
Energy: 0.2702583661188236
Energy: 0.2598707685191511
Energy: 0.2702583661188236
Energy: 0.2598707685191511
Energy: 0.3101629700305556
Energy: 0.3143880039129112
Energy: 0.3101629700305556
Energy: 0.3143880039138357
Energy: 0.310162970029631
Energy: 0.3143880039138357
Energy: 0.26009158990591313
Energy: 0.28459218006231846
Energy: 0.26009158990591313
Energy: 0.28459218006231846
Energy: 0.26009158990591313
Energy: 0.28459218006231846
Energy: 0.2600985201771934
Energy: 0.28463265197337206
Energy: 0.260098520178118
Energy: 0.28463265197337206
Energy: 0.2600985201771934
Energy: 0.28463265197337206
Energy: 0.3101769826467093
Energy: 0.31435339954480745
Energy: 0.3101769826476339
Energy: 0.31435339954480745
Energy: 0.3101769826467093
Energy: 0.31435339954480745

minimum gb energy = 0.2598707685191511 eV
minimum distance =  2.46352340437513 Angstroms
sigma value = 11


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

Energy: 0.49462211444930493
Energy: 0.6150700524168182
Energy: 0.49462211444930493
Energy: 0.6150700524168182
Energy: 0.49462211444930493
Energy: 0.6150700524168182
Energy: 0.4889162706389315
Energy: 0.5296627914232183
Energy: 0.4889162706368997
Energy: 0.5296627914238955
Energy: 0.4889162706368997
Energy: 0.5296627914232183
Energy: 0.5366650614730235
Energy: 0.6850262210731037
Energy: 0.5366650614723462
Energy: 0.6850262210703946
Energy: 0.6485515810770587
Energy: 0.685026221071749
Energy: 0.630150446566599
Energy: 0.452727309525211
Energy: 0.6301504465645672
Energy: 0.45272730952656554
Energy: 0.6301504465659218
Energy: 0.45272730952588824
Energy: 0.6034497524931816
Energy: 0.43408992259248086
Energy: 0.6034497524945361
Energy: 0.43408992259248086
Energy: 0.6034497524945361
Energy: 0.43408992259248086
Energy: 0.552524026764406
Energy: 0.45638352367277224
Energy: 0.5525240267630516
Energy: 0.456383523674804
Energy: 0.5525240267650834
Energy: 0.45638352367277224
Energy: 0.4312142476066853
Energy: 0.47835694790909783
Energy: 0.4312142476066853
Energy: 0.4783569479104524
Energy: 0.4312142476066853
Energy: 0.4783569479104524
Energy: 0.5430810038335064
Energy: 0.4171203952433338
Energy: 0.5430810038321519
Energy: 0.4171203952433338
Energy: 0.5430810038335064
Energy: 0.417120395244011
Energy: 0.5437983277419073
Energy: 0.4199626499993161
Energy: 0.5437983277398755
Energy: 0.41996264999863875
Energy: 0.5437983277385209
Energy: 0.41996264999863875
Energy: 0.4214702021882032
Energy: 0.648349686753469
Energy: 0.42147020218752596
Energy: 0.6483496867555009
Energy: 0.4214702021882032
Energy: 0.6483496867555009
Energy: 0.6045857929048167
Energy: 0.5998691551763821
Energy: 0.6045857929061712
Energy: 0.5998691551757047
Energy: 0.6045857929027849
Energy: 0.5998691551763821
Energy: 0.6049886595991083
Energy: 0.43564694240114643
Energy: 0.6049886595997855
Energy: 0.43564694240114643
Energy: 0.6049886595991083
Energy: 0.43564694240182367
Energy: 0.6279038773155268
Energy: 0.45657449532796107
Energy: 0.6279038773141722
Energy: 0.45657449532863836
Energy: 0.6279038773141722
Energy: 0.45657449532796107
Energy: 0.6184391314800037
Energy: 0.6730167640171947
Energy: 0.6184391314800037
Energy: 0.6730167640171947
Energy: 0.6184391314793265
Energy: 0.6730167640178719
Energy: 0.505917398196338
Energy: 0.530023182717205
Energy: 0.5059173981943061
Energy: 0.530023182717205
Energy: 0.5059173981970153
Energy: 0.530023182717205
Energy: 0.4736568852590976
Energy: 0.6159793157757114
Energy: 0.4736568852597749
Energy: 0.6159793157757114
Energy: 0.4736568852590976
Energy: 0.6159793157757114
Energy: 0.4576954824376438
Energy: 0.5292926202529201
Energy: 0.45769548243493474
Energy: 0.5292926202522429
Energy: 0.4576954824342575
Energy: 0.5292926202529201
Energy: 0.689211946120083
Energy: 0.503994823189773
Energy: 0.6892119461214374
Energy: 0.5039948232344726
Energy: 0.6892119461167583
Energy: 0.50399482323515
Energy: 0.5650972534233184
Energy: 0.44981350339120335
Energy: 0.5650972534239956
Energy: 0.44981350339120335
Energy: 0.5650972534233184
Energy: 0.44981350339188064
Energy: 0.6046080644778214
Energy: 0.4551659174801994
Energy: 0.6046080644778214
Energy: 0.4551659174808767
Energy: 0.6046080644778214
Energy: 0.4551659174774904
Energy: 0.4218799258620389
Energy: 0.46629905966611984
Energy: 0.42187992586136164
Energy: 0.46629905966611984
Energy: 0.4218799258627161
Energy: 0.46629905966273355
Energy: 0.4587520546882709
Energy: 0.4772528021716391
Energy: 0.4587520546903027
Energy: 0.47725280217096183
Energy: 0.45875205468623903
Energy: 0.4772528021696073
Energy: 0.5432264144188457
Energy: 0.5373116547570106
Energy: 0.5432264144147821
Energy: 0.5373116547563334
Energy: 0.5432264144141664
Energy: 0.5373116547570106
Energy: 0.5456950467492906
Energy: 0.5178950246513684
Energy: 0.5456950467486132
Energy: 0.5178950246513684
Energy: 0.5456950467486132
Energy: 0.5178950246513684
Energy: 0.421947758867847
Energy: 0.4805212637734698
Energy: 0.421947758867847
Energy: 0.4805212637687906
Energy: 0.4219477588685243
Energy: 0.480521263776179
Energy: 0.8523208703364672
Energy: 0.5999388587129668
Energy: 0.8523208703351127
Energy: 0.5999388587129668
Energy: 0.8523208703364672
Energy: 0.5999388587122896

minimum gb energy = 0.4171203952433338 eV
minimum distance =  2.36905633656851 Angstroms
sigma value = 41


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

Energy: 0.5497751802664146
Energy: 0.4697416571330246
Energy: 0.5497751802653471
Energy: 0.4697416571330246
Energy: 0.5497751802658808
Energy: 0.4697416571324908
Energy: 0.5284447084286023
Energy: 0.6337060207224294
Energy: 0.5284447084286023
Energy: 0.6337060207224294
Energy: 0.5284447084280685
Energy: 0.6337060207224294
Energy: 0.5844869124443313
Energy: 0.5737289262730322
Energy: 0.5844869124443313
Energy: 0.5737289262724984
Energy: 0.5844869124443313
Energy: 0.5737289262724984
Energy: 0.5062403487809304
Energy: 0.4627535397903471
Energy: 0.5062403487809304
Energy: 0.4627535397903471
Energy: 0.5062403487798628
Energy: 0.4627535397903471
Energy: 0.46294805792561655
Energy: 0.486902928931529
Energy: 0.46294805792561655
Energy: 0.486902928931529
Energy: 0.46294805792561655
Energy: 0.486902928931529
Energy: 0.6485219677906706
Energy: 0.508763945025477
Energy: 0.6485219677906706
Energy: 0.508763945025477
Energy: 0.6485219677901368
Energy: 0.5087639450249433
Energy: 0.4722896461158387
Energy: 0.6942092356581157
Energy: 0.47228964611637253
Energy: 0.6942092356581157
Energy: 0.47228964611637253
Energy: 0.6942092356581157
Energy: 0.46642294934828693
Energy: 0.462875382757223
Energy: 0.46642294934828693
Energy: 0.462875382757223
Energy: 0.4664229493488207
Energy: 0.462875382757223
Energy: 0.47018965261313006
Energy: 0.483676236307046
Energy: 0.4701896526120624
Energy: 0.483676236307046
Energy: 0.47018965261259626
Energy: 0.48367623630757983
Energy: 0.5059896332085427
Energy: 0.5341720484818533
Energy: 0.5059896332085427
Energy: 0.5341720484802519
Energy: 0.5059896332085427
Energy: 0.5341720484813195
Energy: 0.5023749282764872
Energy: 0.5358918694780798
Energy: 0.502374928277021
Energy: 0.5358918694786134
Energy: 0.5023749282764872
Energy: 0.5358918694791472
Energy: 0.4623068389893229
Energy: 0.625474097677026
Energy: 0.4623068389893229
Energy: 0.6254740976802288
Energy: 0.4623068389893229
Energy: 0.6898569415363883
Energy: 0.4738857634104515
Energy: 0.4691537982484506
Energy: 0.4738857634104515
Energy: 0.46915379824898434
Energy: 0.4738857634109854
Energy: 0.46915379824898434
Energy: 0.4460536305319855
Energy: 0.5169771489159428
Energy: 0.4460536305319855
Energy: 0.5169771489164766
Energy: 0.4460536305319855
Energy: 0.5169771489164766
Energy: 0.5068587094950724
Energy: 0.505682875837396
Energy: 0.5068587094956063
Energy: 0.5056828758368623
Energy: 0.5068587094977415
Energy: 0.505682875837396
Energy: 0.45407290886470864
Energy: 0.48968312988577295
Energy: 0.45407290886524243
Energy: 0.48968312988577295
Energy: 0.4540729088641749
Energy: 0.48968312988577295
Energy: 0.48102965978133966
Energy: 0.46904729108874643
Energy: 0.4810296597808059
Energy: 0.46904729108821264
Energy: 0.48102965978027207
Energy: 0.46904729108874643
Energy: 0.5055786519249831
Energy: 0.57456868008645
Energy: 0.5055786519260506
Energy: 0.5745686800859163
Energy: 0.5055786519249831
Energy: 0.5745686800832472
Energy: 0.5184528401854711
Energy: 0.4981951366021662
Energy: 0.5184528401854711
Energy: 0.4981951366021662
Energy: 0.5184528401844035
Energy: 0.4981951366021662
Energy: 0.5016943647802479
Energy: 0.7568629344825445
Energy: 0.5016943647813155
Energy: 0.7568629344836121
Energy: 0.5016943647818493
Energy: 0.7568629344830783
Energy: 0.48045875699077645
Energy: 0.6341743203193618
Energy: 0.4804587569913102
Energy: 0.6341743203188281
Energy: 0.48045875699077645
Energy: 0.6341743203193618
Energy: 0.5035283689409544
Energy: 0.703048327574369
Energy: 0.503528368942022
Energy: 0.7030483275749028
Energy: 0.5035283689414881
Energy: 0.7030483275733014
Energy: 0.5086322785101435
Energy: 0.4602427545402916
Energy: 0.5086322785096098
Energy: 0.46024275454082547
Energy: 0.5086322785096098
Energy: 0.4602427545402916
Energy: 0.45453946677056734
Energy: 0.6488814657297537
Energy: 0.4545394667711011
Energy: 0.648881465728686
Energy: 0.4545394667711011
Energy: 0.6488814657308212
Energy: 0.4491265187856998
Energy: 0.6957494920623843
Energy: 0.44912651878516596
Energy: 0.6957494920629183
Energy: 0.4491265187856998
Energy: 0.6957494920623843
Energy: 0.47086210935326234
Energy: 0.47243759125763407
Energy: 0.47086210935379613
Energy: 0.47243759125763407
Energy: 0.47086210935379613
Energy: 0.4724375912571004
Energy: 0.4623459771267051
Energy: 0.46027798675288584
Energy: 0.4623459771261713
Energy: 0.46027798675288584
Energy: 0.4623459771267051
Energy: 0.46027798675288584
Energy: 0.46879250676684914
Energy: 0.7515974688025225
Energy: 0.46879250676684914
Energy: 0.7515974688019886
Energy: 0.468792506767383
Energy: 0.7515974688019886
Energy: 0.5022454984900734
Energy: 0.49810510030789923
Energy: 0.5022454984900734
Energy: 0.4981051003105682
Energy: 0.5022454984906072
Energy: 0.49810510030950056
Energy: 0.5496104007778354
Energy: 0.4464229526620299
Energy: 0.5496104007783691
Energy: 0.4464229526614962
Energy: 0.5496104007778354
Energy: 0.4464229526614962
Energy: 0.45705395408667554
Energy: 0.4766023612055658
Energy: 0.4570539540877431
Energy: 0.4766023612039643
Energy: 0.45705395408667554
Energy: 0.4766023612039643
Energy: 0.47195152140909025
Energy: 0.4769757600001461
Energy: 0.47195152140909025
Energy: 0.4769757600001461
Energy: 0.47195152140909025
Energy: 0.4769757600001461
Energy: 0.4486028296930735
Energy: 0.4892811952778507
Energy: 0.4486028296930735
Energy: 0.4892811952778507
Energy: 0.4486028296930735
Energy: 0.4892811952778507

minimum gb energy = 0.4460536305319855 eV
minimum distance =  2.40090261648888 Angstroms
sigma value = 33


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

Energy: 0.5415296452217898
Energy: 0.5049685022458802
Energy: 0.5415296452199168
Energy: 0.5049685022458802
Energy: 0.5415296452221645
Energy: 0.5049685022458802
Energy: 0.5586593462439199
Energy: 0.5032709943383095
Energy: 0.5586593462439199
Energy: 0.5032709943375602
Energy: 0.5586593462435454
Energy: 0.5032709943375602
Energy: 0.5222058817146955
Energy: 0.5819978823279054
Energy: 0.5222058817158193
Energy: 0.5819978823275308
Energy: 0.5222058817143208
Energy: 0.5819978823271561
Energy: 0.5266454091388867
Energy: 0.4941293154137273
Energy: 0.5266454091392614
Energy: 0.4941293154137273
Energy: 0.5266454091396359
Energy: 0.4941293154141019
Energy: 0.5070746262614694
Energy: 0.568330928691356
Energy: 0.5070746262618441
Energy: 0.5683309286879844
Energy: 0.5070746262610948
Energy: 0.5683309286887336
Energy: 0.5280516567958264
Energy: 0.5069803010092044
Energy: 0.52805165680744
Energy: 0.5069803010099537
Energy: 0.5280516567999474
Energy: 0.5069803010103283
Energy: 0.5234372585767151
Energy: 0.5631660070410064
Energy: 0.523437258577839
Energy: 0.5631660070410064
Energy: 0.5234372585770897
Energy: 0.5631660070413811
Energy: 0.5405065341405804
Energy: 0.5692332038940388
Energy: 0.5405065341417041
Energy: 0.5692332038940388
Energy: 0.5405065341428281
Energy: 0.5692332038944135
Energy: 0.6018269301847547
Energy: 0.5173737818592118
Energy: 0.6018269301840056
Energy: 0.517373781859961
Energy: 0.6018269301828816
Energy: 0.517373781859961
Energy: 0.6271684338651202
Energy: 0.5167556157726518
Energy: 0.6271684338606247
Energy: 0.5167556157722771
Energy: 0.6271684338613739
Energy: 0.5167556157722771
Energy: 0.5345849181743045
Energy: 0.5344654485610432
Energy: 0.5345849181750537
Energy: 0.5344654485617925
Energy: 0.5345849181746791
Energy: 0.5344654485606686
Energy: 0.5380213603356138
Energy: 0.4941923479155921
Energy: 0.5380213603322422
Energy: 0.4941923479155921
Energy: 0.5380213603337406
Energy: 0.4941923479148428
Energy: 0.5199463868283442
Energy: 0.6026638214535571
Energy: 0.5199463868279697
Energy: 0.6026638214471884
Energy: 0.5199463868294681
Energy: 0.6026638214528078
Energy: 0.5630834979247036
Energy: 0.5367573474102162
Energy: 0.5630834979239543
Energy: 0.5367573474102162
Energy: 0.5630834979232051
Energy: 0.5367573474094669
Energy: 0.5563109339586563
Energy: 0.5230591064784605
Energy: 0.5563109339590309
Energy: 0.5230591064792097
Energy: 0.5563109339582816
Energy: 0.523059106478835
Energy: 0.510250866074131
Energy: 0.5287874313063156
Energy: 0.5102508660748802
Energy: 0.5287874313006962
Energy: 0.5102508660745056
Energy: 0.5287874313055664
Energy: 0.5529105443843578
Energy: 0.5039194489849197
Energy: 0.5529105443847325
Energy: 0.5039194489852942
Energy: 0.5529105443809862
Energy: 0.5039194489849197
Energy: 0.49192341520967536
Energy: 0.5285230046709212
Energy: 0.4919234152078022
Energy: 0.528523004670172
Energy: 0.49192341520742755
Energy: 0.528523004670172
Energy: 0.5844170592682554
Energy: 0.522371742645786
Energy: 0.584417059266757
Energy: 0.5223717426442877
Energy: 0.5844170592656331
Energy: 0.5223717426446622
Energy: 0.5213560490857141
Energy: 0.5300196671110907
Energy: 0.5213560490883364
Energy: 0.5300196671114654
Energy: 0.5213560490857141
Energy: 0.5300196671114654
Energy: 0.5028942428163236
Energy: 0.5388824594706478
Energy: 0.5028942428151996
Energy: 0.5388824594706478
Energy: 0.5028942428151996
Energy: 0.5388824594706478
Energy: 0.5004579575073919
Energy: 0.5607352419477161
Energy: 0.5004579575073919
Energy: 0.5607352419477161
Energy: 0.5004579575081411
Energy: 0.5607352419469668
Energy: 0.5560654220269458
Energy: 0.4993614686027061
Energy: 0.556065422027695
Energy: 0.49936146860158215
Energy: 0.5560654220280697
Energy: 0.4993614686030806
Energy: 0.497668982501207
Energy: 0.5603631538112102
Energy: 0.4976689825019562
Energy: 0.560363153810461
Energy: 0.4976689825027055
Energy: 0.5603631538085878
Energy: 0.5675688501737272
Energy: 0.5037408481203624
Energy: 0.5675688501662347
Energy: 0.5037408481203624
Energy: 0.5675688501800958
Energy: 0.5037408481199879
Energy: 0.5055366117469342
Energy: 0.5592981647719516
Energy: 0.5055366117461849
Energy: 0.559298164771577
Energy: 0.5055366117469342
Energy: 0.5592981647730755
Energy: 0.5579166820024235
Energy: 0.5249018138569284
Energy: 0.5579166820001756
Energy: 0.5249018138565537
Energy: 0.5579166820005503
Energy: 0.5249018138565537
Energy: 0.53090842558403
Energy: 0.49839534499421223
Energy: 0.5309084255832807
Energy: 0.4983953449938376
Energy: 0.5309084255844047
Energy: 0.49839534499421223
Energy: 0.5188597519322068
Energy: 0.6024720709479182
Energy: 0.5188597519333306
Energy: 0.6024720709482928
Energy: 0.5188597519307081
Energy: 0.6024720709467943
Energy: 0.5148678342730403
Energy: 0.6274664663380713
Energy: 0.514867834272291
Energy: 0.6274664663417836
Energy: 0.514867834272291
Energy: 0.6274664663406597
Energy: 0.525492092234038
Energy: 0.49118379955083774
Energy: 0.5254920922336634
Energy: 0.49118379955083774
Energy: 0.5254920922329143
Energy: 0.49118379955083774
Energy: 0.4978302368902868
Energy: 0.5564104958914815
Energy: 0.4978302368914107
Energy: 0.5564104958937293
Energy: 0.497830236891036
Energy: 0.55641049589298
Energy: 0.7812468194372256
Energy: 0.5157531403073236
Energy: 0.7812468194376002
Energy: 0.5157531403073236
Energy: 0.7812468194383494
Energy: 0.515753140307698
Energy: 0.5348109572944578
Energy: 0.5592360495857467
Energy: 0.5348109572952071
Energy: 0.5592360495849975
Energy: 0.5348109572948325
Energy: 0.5592360495857467
Energy: 0.534768424651258
Energy: 0.5592491806835354
Energy: 0.5347684246501682
Energy: 0.5592491806835354
Energy: 0.5347684246505428
Energy: 0.5592491806831607
Energy: 0.7829255490090742
Energy: 0.515757192648625
Energy: 0.7829255490094489
Energy: 0.5157571926478757
Energy: 0.7829255490101982
Energy: 0.515757192648625
Energy: 0.49783809901207793
Energy: 0.5542419782498849
Energy: 0.49783809901170334
Energy: 0.5542419782468879
Energy: 0.49783809901207793
Energy: 0.5542419782498849
Energy: 0.5259045818754465
Energy: 0.49113814587376586
Energy: 0.5259045818765704
Energy: 0.49113814587376586
Energy: 0.5259045818746972
Energy: 0.4911381458741405
Energy: 0.5145106343058006
Energy: 0.6275951671136322
Energy: 0.514510634306175
Energy: 0.6275951671113844
Energy: 0.5145106343065498
Energy: 0.6275951671095112
Energy: 0.5188486445201627
Energy: 0.6024453514547676
Energy: 0.5188486445224103
Energy: 0.6024453514439034
Energy: 0.5188486445212864
Energy: 0.6024453514547676
Energy: 0.5308744157017999
Energy: 0.4985187272951909
Energy: 0.5308744157010508
Energy: 0.4985187272959402
Energy: 0.5308744157014255
Energy: 0.4985187272959402
Energy: 0.5579800107119042
Energy: 0.5251530782079271
Energy: 0.5579800107122789
Energy: 0.5251530782075525
Energy: 0.5579800107122789
Energy: 0.5251530782079271
Energy: 0.5055113426816723
Energy: 0.5594678294269925
Energy: 0.5055113426812977
Energy: 0.5594678294266178
Energy: 0.5055113426820469
Energy: 0.559467829427367
Energy: 0.5675265059794172
Energy: 0.5037370372430987
Energy: 0.5675265059801664
Energy: 0.5037370372430987
Energy: 0.567526505980541
Energy: 0.5037370372427241
Energy: 0.49764924189728077
Energy: 0.560174008799949
Energy: 0.4976492418957823
Energy: 0.560174008799949
Energy: 0.4976492418957823
Energy: 0.5601740088014475
Energy: 0.5560511178783879
Energy: 0.49929710086405577
Energy: 0.5560511178791371
Energy: 0.49929710086443035
Energy: 0.5560511178791371
Energy: 0.49929710086443035
Energy: 0.5004679260622409
Energy: 0.5607310114092147
Energy: 0.5004679260622409
Energy: 0.5607310114092147
Energy: 0.5004679260622409
Energy: 0.5607310114095894

minimum gb energy = 0.49113814587376586 eV
minimum distance =  2.40040122689698 Angstroms
sigma value = 67


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

Energy: 0.5637756078952898
Energy: 0.5473964926804078
Energy: 0.5637756078950336
Energy: 0.5473964926806355
Energy: 0.5637756078947777
Energy: 0.5473964926804078
Energy: 0.557447678967543
Energy: 0.5351881096346085
Energy: 0.557447678967543
Energy: 0.5351881096348647
Energy: 0.557447678967543
Energy: 0.5351881096343525
Energy: 0.7630137288276653
Energy: 0.6568241359426236
Energy: 0.763013728828405
Energy: 0.6568241359428796
Energy: 0.7630137288276653
Energy: 0.6568241359428796
Energy: 0.5574421222388817
Energy: 0.5352069650857436
Energy: 0.5574421222391378
Energy: 0.5352069650857436
Energy: 0.5574421222388817
Energy: 0.5352069650859996
Energy: 0.5637756078932982
Energy: 0.5473964926816313
Energy: 0.5637756078935258
Energy: 0.5473964926816313
Energy: 0.5637756078935258
Energy: 0.5473964926816313
Energy: 0.5574476789665472
Energy: 0.5351881096333567
Energy: 0.557447678965779
Energy: 0.5351881096331006
Energy: 0.5574476789662912
Energy: 0.5351881096336127
Energy: 0.8169374806003005
Energy: 0.6568241359418554
Energy: 0.8169374806463637
Energy: 0.6568241359416278
Energy: 0.5666726499181134
Energy: 0.6568241359416278

minimum gb energy = 0.5351881096331006 eV
minimum distance =  2.41111295118675 Angstroms
sigma value = 3


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

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Energy: 0.6844294482573894
Energy: 0.7752092626455724
Energy: 0.6844294482573894
Energy: 0.7752092626435281
Energy: 0.6844294482577611
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Energy: 0.6380237915025072
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Energy: 0.6632145758222614
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Energy: 0.6599375226602526
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Energy: 0.7430044620493312
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Energy: 0.7430044620497029
Energy: 0.6962455510247475
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Energy: 0.6548715193831188
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Energy: 0.696623687548036
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Energy: 0.6363737145913402
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Energy: 0.6705974548422587
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Energy: 0.6705974548446748
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Energy: 0.6836476241149894
Energy: 0.6940998872840066
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Energy: 0.6551164825977203
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Energy: 0.6551164825994548
Energy: 0.6741573023256724
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Energy: 0.6766753261022944
Energy: 0.7029376202564991
Energy: 0.6766753261032856
Energy: 0.7029376202571805
Energy: 0.6766753261022944
Energy: 0.7029376202568088
Energy: 0.6503089051211253
Energy: 0.666240610545934
Energy: 0.6503089051187092
Energy: 0.6910476392913626
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Energy: 0.662758986802684
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Energy: 0.6551840060038839
Energy: 0.7103717236899587
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Energy: 0.6473423365189932
Energy: 0.701858134552145
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Energy: 0.6692948262868232
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Energy: 0.6692948262858321
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Energy: 0.6692948262865135
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Energy: 0.6520329230269127
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Energy: 0.6556227615897647
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Energy: 0.6441009834292941
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Energy: 0.6834533495291876
Energy: 0.6912036463912501
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Energy: 0.681416670861054
Energy: 0.6667883389934657
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Energy: 0.6349938405087434
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Energy: 0.6836134278863946
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Energy: 0.6836134278867664
Energy: 0.6855329418153442
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Energy: 0.6845476404186513
Energy: 0.6421639709000143
Energy: 0.6845476404169168
Energy: 0.6421639708990231
Energy: 0.6845476404166071
Energy: 0.6421639709000143
Energy: 0.6828167786336423
Energy: 0.6395082538909354
Energy: 0.6828167786346955
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Energy: 0.6828167786346955
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Energy: 0.691692540102938
Energy: 0.6287879881924374
Energy: 0.6916925401012654
Energy: 0.6287879881931189
Energy: 0.6916925401018849
Energy: 0.6287879881917561
Energy: 0.6865991904659415
Energy: 0.6964717564565617
Energy: 0.6865991904649503
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Energy: 0.6865991904635874
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Energy: 0.6956640016516392
Energy: 0.685680720869754
Energy: 0.6956640016520109
Energy: 0.6856807208708071
Energy: 0.6956640016516392
Energy: 0.6580156578819988
Energy: 0.6634064555303916
Energy: 0.6580156578836716
Energy: 0.6634064555300199
Energy: 0.6580156578839813
Energy: 0.6634064555300199
Energy: 0.6873721794154025
Energy: 0.6563015566895437
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Energy: 0.6563015566902252
Energy: 0.6873721794150928
Energy: 0.6563015566905969
Energy: 0.6629154447743956
Energy: 0.7159239169056126
Energy: 0.6629154447747053
Energy: 0.7159239169062942
Energy: 0.6629154447740239
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Energy: 0.684463891111202
Energy: 0.6705041028746981
Energy: 0.6844638911118834
Energy: 0.6705041028753796
Energy: 0.6844638911139277
Energy: 0.6705041028774239
Energy: 0.6335428527014763
Energy: 0.7003160535019624
Energy: 0.633542852700485
Energy: 0.7003160535022721
Energy: 0.633542852700485
Energy: 0.7003160535022721
Energy: 0.7038272911134269
Energy: 0.6561507836182334
Energy: 0.7038272911141085
Energy: 0.6561507836182334
Energy: 0.7038272911141085
Energy: 0.6561507836171804
Energy: 0.6366393933894993
Energy: 0.7482332095167904
Energy: 0.6366393933894993
Energy: 0.7482332095161089
Energy: 0.6366393933898091
Energy: 0.7482332095154276
Energy: 0.7469708881966325
Energy: 0.6433162430441735
Energy: 0.7469708881963228
Energy: 0.6433162430441735
Energy: 0.7469708881945882
Energy: 0.6433162430441735
Energy: 0.6622403620821219
Energy: 0.6683142680782005
Energy: 0.6622403620845378
Energy: 0.6683142680189775
Energy: 0.662240362080759
Energy: 0.6683142680822892
Energy: 0.6877207299598441
Energy: 0.6289775051087307
Energy: 0.6877207299618885
Energy: 0.6289775051070581
Energy: 0.6877207299615787
Energy: 0.6289775051073678
Energy: 0.6712926881331633
Energy: 0.6698924371710435
Energy: 0.6712926881369422
Energy: 0.6698924371713533
Energy: 0.6712926881365706
Energy: 0.6698924371713533
Energy: 0.7002455773194505
Energy: 0.6326350871672997
Energy: 0.7002455773194505
Energy: 0.6326350871676094
Energy: 0.7002455773201319
Energy: 0.6326350871662465
Energy: 0.689218283546907
Energy: 0.6687424353281316
Energy: 0.6892182835472168
Energy: 0.6687424353291846
Energy: 0.6892182835478982
Energy: 0.6687424353288131
Energy: 0.6905079525595061
Energy: 0.6553485041876518
Energy: 0.6905079525595061
Energy: 0.6553485041903776
Energy: 0.6905079525605592
Energy: 0.655348504188643
Energy: 0.6368017838875496
Energy: 0.7062649231126888
Energy: 0.6368017838895939
Energy: 0.7062649231120074
Energy: 0.6368017838899036
Energy: 0.7062649231113259
Energy: 0.6632427959555615
Energy: 0.6652100637006615
Energy: 0.6632427959582873
Energy: 0.6652100637002897
Energy: 0.6632427959565528
Energy: 0.6652100637006615
Energy: 0.670205666116666
Energy: 0.6680857681847734
Energy: 0.670205666116666
Energy: 0.6680857681837202
Energy: 0.6702056661156749
Energy: 0.668085768184092

minimum gb energy = 0.6287879881917561 eV
minimum distance =  2.37328229055232 Angstroms
sigma value = 81


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

Energy: 0.6966035158928047
Energy: 0.6605383139764703
Energy: 0.6966035158928047
Energy: 0.6605383139764703
Energy: 0.6966035158932723
Energy: 0.6605383139764703
Energy: 0.6860907749059905
Energy: 0.6302620476292207
Energy: 0.6860907749050553
Energy: 0.6302620476292207
Energy: 0.6860907749055228
Energy: 0.6302620476292207
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Energy: 0.6092184424941715
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Energy: 0.6092184424941715
Energy: 0.7075139524872402
Energy: 0.6092184424937037
Energy: 0.6479605419768459
Energy: 0.6651277683469268
Energy: 0.6479605419768459
Energy: 0.665127768347862
Energy: 0.6479605419768459
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Energy: 0.6877323292451695
Energy: 0.6615237279217894
Energy: 0.6877323292447017
Energy: 0.6615237279222571
Energy: 0.687732329245637
Energy: 0.6615237279213217
Energy: 0.6294979662558532
Energy: 0.6040505947331887
Energy: 0.6294979662549179
Energy: 0.6040505947336563
Energy: 0.6294979662563209
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Energy: 0.6090388819435333
Energy: 0.6160938626822209
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Energy: 0.6160938626812855
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Energy: 0.6229876206534353
Energy: 0.6042461889754919
Energy: 0.622987620653903
Energy: 0.6042461889750241
Energy: 0.6229876206534353
Energy: 0.6639995208043223
Energy: 0.6746232137055667
Energy: 0.6639995208047901
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Energy: 0.6639995208038548
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Energy: 0.6819463900441352
Energy: 0.6037677283307649
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Energy: 0.6037677283317001
Energy: 0.6819463900446029
Energy: 0.6037677283317001
Energy: 0.6042147479102689
Energy: 0.6580788143176813
Energy: 0.6042147479102689
Energy: 0.6580788143172138
Energy: 0.6042147479093336
Energy: 0.6580788143176813
Energy: 0.6557168299223101
Energy: 0.6293148612386551
Energy: 0.6557168299223101
Energy: 0.6293148612381874
Energy: 0.6557168299209072
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Energy: 0.7057351011655382
Energy: 0.6038660804037054
Energy: 0.7057351011650707
Energy: 0.6038660804041729
Energy: 0.7057351011660059
Energy: 0.60386608040277
Energy: 0.6325905754620168
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Energy: 0.6325905754615492
Energy: 0.6873247559337533
Energy: 0.6325905754624844
Energy: 0.6873247559346886
Energy: 0.6056546248969968
Energy: 0.6950456849851137
Energy: 0.6056546248969968
Energy: 0.6950456849860488
Energy: 0.6056546248974644
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Energy: 0.6655804708117969
Energy: 0.7410724149048226
Energy: 0.6655804708174083
Energy: 0.7410724149057579
Energy: 0.6655804708146026
Energy: 0.7410724149043549
Energy: 0.6541367933480592
Energy: 0.7060260858703319
Energy: 0.6541367933485268
Energy: 0.7060260858698643
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Energy: 0.7060260858703319
Energy: 0.6365909783360948
Energy: 0.6307913428821643
Energy: 0.6365909783351594
Energy: 0.6307913428536388
Energy: 0.6365909783356271
Energy: 0.6307913428545742
Energy: 0.6401858600057401
Energy: 0.5997441217134183
Energy: 0.6401858600048049
Energy: 0.5997441217134183
Energy: 0.6401858600057401
Energy: 0.5997441217138859
Energy: 0.6612552536855348
Energy: 0.6532674769148876
Energy: 0.6612552536850673
Energy: 0.6532674769153552
Energy: 0.6612552536855348
Energy: 0.6532674769148876
Energy: 0.6816259205921449
Energy: 0.7224778220977672
Energy: 0.6816259205865334
Energy: 0.7224778220987025
Energy: 0.6816259205898069
Energy: 0.7224778220958966
Energy: 0.7070960610400042
Energy: 0.7414005806995976
Energy: 0.7070960610414072
Energy: 0.7414005806977271
Energy: 0.7070960610418747
Energy: 0.7414005806995976
Energy: 0.6319836976470342
Energy: 0.6470485479590249
Energy: 0.6319836976475018
Energy: 0.6470485479590249
Energy: 0.6319836976470342
Energy: 0.6470485479590249
Energy: 0.6237599124108799
Energy: 0.6037625437784597
Energy: 0.6237599124150885
Energy: 0.6037625437765892
Energy: 0.6237599124146209
Energy: 0.6037625437775245
Energy: 0.6509849947240991
Energy: 0.6898151540522179
Energy: 0.6509849947212933
Energy: 0.6898151540517504
Energy: 0.6509849947245667
Energy: 0.6898151540517504
Energy: 0.6038742503809457
Energy: 0.6222917525001425
Energy: 0.6038742503828162
Energy: 0.6222917525001425
Energy: 0.6038742503823485
Energy: 0.6222917525006101
Energy: 0.6642417690074149
Energy: 0.6058180851242233
Energy: 0.6642417690055444
Energy: 0.6058180851242233
Energy: 0.6642417690055444
Energy: 0.6058180851242233
Energy: 0.6620451143443439
Energy: 0.6532663053320293
Energy: 0.6620451143443439
Energy: 0.653266305331094
Energy: 0.6620451143448115
Energy: 0.653266305332497
Energy: 0.6042707843582119
Energy: 0.6299436287652214
Energy: 0.6042707843582119
Energy: 0.629943628760545
Energy: 0.6042707843582119
Energy: 0.6299436287642861
Energy: 0.6052367219335426
Energy: 0.6146534141013373
Energy: 0.6052367219335426
Energy: 0.6146534141008698
Energy: 0.6052367219326074
Energy: 0.6146534141008698
Energy: 0.6574143239889962
Energy: 0.7816448457680879
Energy: 0.6574143239885286
Energy: 0.7816448457680879
Energy: 0.6574143239880611
Energy: 0.7816448457690233
Energy: 0.7577609331682031
Energy: 0.6673172170016602
Energy: 0.757760933169606
Energy: 0.6673172170054014
Energy: 0.7577609331691384
Energy: 0.667317217005869
Energy: 0.6510643822062429
Energy: 0.6570257806006624
Energy: 0.651064382203437
Energy: 0.6570257806001948
Energy: 0.651064382203437
Energy: 0.6570257806001948
Energy: 0.6290452687926356
Energy: 0.6089992553405673
Energy: 0.6290452687917003
Energy: 0.6089992553400996
Energy: 0.6290452687926356
Energy: 0.6089992553405673

minimum gb energy = 0.5997441217134183 eV
minimum distance =  2.42075773393422 Angstroms
sigma value = 43


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

Energy: 0.7601727892511061
Energy: 0.6267131536360591
Energy: 0.7601727892505318
Energy: 0.6267131536354846
Energy: 0.7601727892511061
Energy: 0.6267131536354846
Energy: 0.650174132846324
Energy: 0.6199471360271032
Energy: 0.6501741328457495
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Energy: 0.6501741328451752
Energy: 0.6199471360265287
Energy: 0.7045408992630804
Energy: 0.7202453719765395
Energy: 0.704540899262506
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Energy: 0.7045408992619315
Energy: 0.7202453719765395
Energy: 0.6259656814252501
Energy: 0.6519563295339575
Energy: 0.6259656814252501
Energy: 0.6519563295328088
Energy: 0.6259656814252501
Energy: 0.6519563295305112
Energy: 0.7039794849589716
Energy: 0.6797155757144157
Energy: 0.703979484959546
Energy: 0.6797155757132669
Energy: 0.703979484959546
Energy: 0.679715575712118
Energy: 0.6421669890644808
Energy: 0.662222395246077
Energy: 0.6421669890644808
Energy: 0.6622223952455026
Energy: 0.6421669890644808
Energy: 0.6622223952455026
Energy: 0.640385635052925
Energy: 0.7208097464734995
Energy: 0.640385635052925
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Energy: 0.6403856350523506
Energy: 0.7208097464734995
Energy: 0.6398001495554753
Energy: 0.6707863007638245
Energy: 0.6398001495549008
Energy: 0.6707863007626756
Energy: 0.6398001495549008
Energy: 0.67078630076325
Energy: 0.7408696141850065
Energy: 0.6184635415843911
Energy: 0.7408696141861555
Energy: 0.6184635415843911
Energy: 0.7408696141855811
Energy: 0.6184635415843911
Energy: 0.6610310593912557
Energy: 0.6579407355855276
Energy: 0.6610310593906814
Energy: 0.6579407355855276
Energy: 0.6610310593906814
Energy: 0.6579407355855276
Energy: 0.6591453070481039
Energy: 0.6667160113319108
Energy: 0.6591453070481039
Energy: 0.6667160113307621
Energy: 0.6591453070481039
Energy: 0.6667160113313364
Energy: 0.6396267383270398
Energy: 0.6595044073348922
Energy: 0.6396267383276141
Energy: 0.6595044056434387
Energy: 0.6396267383276141
Energy: 0.6595044023622008
Energy: 0.7248048956134957
Energy: 0.6634258947592975
Energy: 0.7248048956134957
Energy: 0.663425894758723
Energy: 0.7248048956140701
Energy: 0.663425894758723
Energy: 0.6131196066918108
Energy: 0.6592690374450486
Energy: 0.6131196066912363
Energy: 0.6592690374456229
Energy: 0.6131196066912363
Energy: 0.6592690374450486
Energy: 0.6702960273188843
Energy: 0.683271437330645
Energy: 0.670296027320033
Energy: 0.683271437330645
Energy: 0.670296027320033
Energy: 0.683271437330645
Energy: 0.6579329621321603
Energy: 0.7187759741806848
Energy: 0.6579329621281395
Energy: 0.7187759741812594
Energy: 0.6579329621264163
Energy: 0.7187759741806848
Energy: 0.6778718087034251
Energy: 0.620821007703116
Energy: 0.6778718087034251
Energy: 0.620821007703116
Energy: 0.677871808704574
Energy: 0.620821007703116
Energy: 0.699093803257579
Energy: 0.6494867214084564
Energy: 0.6990938032570047
Energy: 0.6494867214084564
Energy: 0.699093803257579
Energy: 0.6494867214084564
Energy: 0.6987791080563084
Energy: 0.6362577961085801
Energy: 0.6987791080563084
Energy: 0.6362577961085801
Energy: 0.6987791080563084
Energy: 0.6362577961085801
Energy: 0.6779569679534797
Energy: 0.6200355270434624
Energy: 0.6779569679500334
Energy: 0.6200355270446112
Energy: 0.6779569679368221
Energy: 0.6200355270446112
Energy: 0.6581632949396122
Energy: 0.6602062198726485
Energy: 0.6581632949396122
Energy: 0.6602062198726485
Energy: 0.6581632949407611
Energy: 0.6602062198726485
Energy: 0.6926906812629289
Energy: 0.7175348405683944
Energy: 0.6926906812629289
Energy: 0.7175348405683944
Energy: 0.6926906812623544
Energy: 0.7175348405683944
Energy: 0.6134002690880747
Energy: 0.6825923655099931
Energy: 0.6134002690875002
Energy: 0.6825923655099931
Energy: 0.6134002690875002
Energy: 0.6825923655105677
Energy: 0.7229062795357043
Energy: 0.6622297612737175
Energy: 0.7229062795362786
Energy: 0.6622297612737175
Energy: 0.722906279536853
Energy: 0.6622297612742918
Energy: 0.6393499224279988
Energy: 0.6426040559359957
Energy: 0.6393499224274245
Energy: 0.6426040559354212
Energy: 0.6393499224268501
Energy: 0.6426040559354212
Energy: 0.6931570262629002
Energy: 0.6708807534607373
Energy: 0.6931570262629002
Energy: 0.6708807534607373
Energy: 0.6931570262629002
Energy: 0.6708807534607373
Energy: 0.6566050819151235
Energy: 0.6200133666697325
Energy: 0.6566050819145491
Energy: 0.6200133666697325
Energy: 0.6566050819116771
Energy: 0.6200133666708812
Energy: 0.6848594284253531
Energy: 0.695431362314389
Energy: 0.6848594284242042
Energy: 0.695431362314389
Energy: 0.6848594284230556
Energy: 0.695431362314389
Energy: 0.6395266203765183
Energy: 0.6709769340703933
Energy: 0.6395266203770927
Energy: 0.67097693406867
Energy: 0.6395266203765183
Energy: 0.6709769340709676
Energy: 0.6740278717325326
Energy: 0.6596975705168365
Energy: 0.6740278717331071
Energy: 0.659697570517411
Energy: 0.6740278717319582
Energy: 0.6596975705156878
Energy: 0.6433921144240603
Energy: 0.6617482377265961
Energy: 0.6433921144240603
Energy: 0.6617482377265961
Energy: 0.6433921144240603
Energy: 0.6617482377271704

minimum gb energy = 0.6131196066912363 eV
minimum distance =  2.36377357155894 Angstroms
sigma value = 57


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

Energy: 0.6857758178802214
Energy: 0.6168213984378349
Energy: 0.6857758178802214
Energy: 0.6168213984370912
Energy: 0.6857758178802214
Energy: 0.6168213984370912
Energy: 0.6516628524982758
Energy: 0.5852247455332947
Energy: 0.6516628524975321
Energy: 0.5852247455332947
Energy: 0.6516628524967883
Energy: 0.5852247455340384
Energy: 0.6704542527121781
Energy: 0.7143548339347305
Energy: 0.6704542527077494
Energy: 0.7143548339347305
Energy: 0.6704542527092369
Energy: 0.7143548339347305
Energy: 0.6357019595267649
Energy: 0.6785507726015639
Energy: 0.6357019595275085
Energy: 0.6785507726000765
Energy: 0.6357019595275085
Energy: 0.6785507726008202
Energy: 0.6660242042808563
Energy: 0.6769044419698188
Energy: 0.6660242042853185
Energy: 0.6769044419713063
Energy: 0.6660242042808563
Energy: 0.6769044419690752
Energy: 0.6689470731823502
Energy: 0.629566514224563
Energy: 0.668947073177888
Energy: 0.6295665142267943
Energy: 0.6689470731808628
Energy: 0.6295665142260505
Energy: 0.6750926406667881
Energy: 0.7098709858089159
Energy: 0.675092640669763
Energy: 0.7098709858089159
Energy: 0.6750926406682756
Energy: 0.7098709858081721
Energy: 0.6359497040477007
Energy: 0.6399830708901364
Energy: 0.635949704046957
Energy: 0.6399830708901364
Energy: 0.6359497040477007
Energy: 0.6399830708901364
Energy: 0.6432402936321819
Energy: 0.5859770316399735
Energy: 0.6432402936306945
Energy: 0.5859770316399735
Energy: 0.6432402936314382
Energy: 0.5859770316392297
Energy: 0.6078393498340751
Energy: 0.5846611416164941
Energy: 0.6078393498340751
Energy: 0.5846611416157504
Energy: 0.6078393498333313
Energy: 0.5846611416164941
Energy: 0.6749107869678412
Energy: 0.6757061357590916
Energy: 0.6749107869670976
Energy: 0.6757061357590916
Energy: 0.6749107869670976
Energy: 0.6757061357576042
Energy: 0.6442180878348919
Energy: 0.6998215947171417
Energy: 0.6442180878348919
Energy: 0.69982174883498
Energy: 0.6442180878334044
Energy: 0.6998219029208382
Energy: 0.6990050237919407
Energy: 0.5861917558405159
Energy: 0.6990050237926845
Energy: 0.5861917558405159
Energy: 0.6990050237911971
Energy: 0.5861917558405159
Energy: 0.7336508882317192
Energy: 0.6707502388403191
Energy: 0.7336508882317192
Energy: 0.6707502388403191
Energy: 0.7336508882309755
Energy: 0.6707502388418065
Energy: 0.6530638681247771
Energy: 0.5892403785448751
Energy: 0.6530638681247771
Energy: 0.5892403785456188
Energy: 0.6530638681240334
Energy: 0.5892403785456188
Energy: 0.6661181500449892
Energy: 0.6895157310445206
Energy: 0.6661181500442455
Energy: 0.6895157310452642
Energy: 0.6661181500449892
Energy: 0.6895157310452642
Energy: 0.6006229125021294
Energy: 0.649847800349994
Energy: 0.6006229125013857
Energy: 0.6498478003485065
Energy: 0.6006229125013857
Energy: 0.6498478003492504
Energy: 0.6733699261933929
Energy: 0.8174744718149387
Energy: 0.6733699261933929
Energy: 0.7941276172356496
Energy: 0.6733699261911618
Energy: 0.7941276172363935
Energy: 0.6007103369962613
Energy: 0.6499505167265567
Energy: 0.6007103369962613
Energy: 0.6499505167265567
Energy: 0.6007103369962613
Energy: 0.6499505167258129
Energy: 0.6662497878412412
Energy: 0.689511106107277
Energy: 0.6662497878404975
Energy: 0.689511106107277
Energy: 0.6662497878412412
Energy: 0.689511106107277
Energy: 0.6529664858649594
Energy: 0.5892461707220445
Energy: 0.6529664858649594
Energy: 0.5892461707213008
Energy: 0.6529664858649594
Energy: 0.5892461707213008
Energy: 0.7337056408513554
Energy: 0.6321207770136228
Energy: 0.7337056408528428
Energy: 0.6321207770136228
Energy: 0.7337056408520991
Energy: 0.6321207770136228
Energy: 0.6991040581106258
Energy: 0.5863517717419126
Energy: 0.6991040581106258
Energy: 0.5863517717419126
Energy: 0.6991040581113696
Energy: 0.5863517717419126
Energy: 0.6442216769437898
Energy: 0.6997957642412123
Energy: 0.6442216769437898
Energy: 0.6997957642218755
Energy: 0.6442216769445335
Energy: 0.6997957641713358

minimum gb energy = 0.5846611416157504 eV
minimum distance =  2.38525501856116 Angstroms
sigma value = 17


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

Energy: 0.6163389396472455
Energy: 0.5853315512340863
Energy: 0.6163389396493492
Energy: 0.5853315512340863
Energy: 0.6163389396482973
Energy: 0.5853315512340863
Energy: 0.5789045218856249
Energy: 0.5661760800532242
Energy: 0.5789045218856249
Energy: 0.5661760800532242
Energy: 0.5789045218866766
Energy: 0.5661760800532242
Energy: 0.6630202783224128
Energy: 0.6585019893191635
Energy: 0.6630202783224128
Energy: 0.6585019893191635
Energy: 0.6630202783224128
Energy: 0.6585019893191635
Energy: 0.5641698547599417
Energy: 0.6544850528103133
Energy: 0.5641698547599417
Energy: 0.6544850528103133
Energy: 0.5641698547599417
Energy: 0.6544850528092617
Energy: 0.554741132643655
Energy: 0.6292053914154067
Energy: 0.5542505834926793
Energy: 0.6292053913481161
Energy: 0.5546698089367827
Energy: 0.6292053904135074
Energy: 0.6129751405838104
Energy: 0.5646576647195914
Energy: 0.6129751405838104
Energy: 0.5646576647195914
Energy: 0.6129751405838104
Energy: 0.5646576647185396
Energy: 0.5711032070078221
Energy: 0.5857769298881308
Energy: 0.5711032070078221
Energy: 0.5857769298881308
Energy: 0.5711032070078221
Energy: 0.5857769298881308
Energy: 0.5640962123081253
Energy: 0.6390393050312411
Energy: 0.5640962123070736
Energy: 0.6390393050312411
Energy: 0.5640962123081253
Energy: 0.6390393050312411
Energy: 0.642161229602229
Energy: 0.5654800539794879
Energy: 0.642161229602229
Energy: 0.565480053978436
Energy: 0.642161229602229
Energy: 0.5654800539794879
Energy: 0.6091779157976878
Energy: 0.5758522211270238
Energy: 0.6091779157976878
Energy: 0.5758522211270238
Energy: 0.6091779157966359
Energy: 0.5758522211270238
Energy: 0.5989225457527961
Energy: 0.5938628912840248
Energy: 0.598922545753848
Energy: 0.5938628912850766
Energy: 0.598922545753848
Energy: 0.5938628912850766
Energy: 0.6215126000552705
Energy: 0.5850865217098038
Energy: 0.6215126000552705
Energy: 0.5850865217098038
Energy: 0.6215126000542188
Energy: 0.5850865217098038
Energy: 0.5459110617445742
Energy: 0.6448923925892996
Energy: 0.5459110617445742
Energy: 0.6448923925892996
Energy: 0.5459110617445742
Energy: 0.6448923925882478
Energy: 0.608782744551663
Energy: 0.6633853434654827
Energy: 0.608782744551663
Energy: 0.6633853434654827
Energy: 0.608782744551663
Energy: 0.6633853434654827
Energy: 0.6127854158153659
Energy: 0.5716645150086439
Energy: 0.6127854157922267
Energy: 0.5716645150086439
Energy: 0.6127854157165458
Energy: 0.5716645150086439
Energy: 0.612994164017207
Energy: 0.5650838061361786
Energy: 0.6129941640193105
Energy: 0.5650838061361786
Energy: 0.6129941640161553
Energy: 0.5650838061361786
Energy: 0.6080513918353867
Energy: 0.663503913041104
Energy: 0.6080513918353867
Energy: 0.663503913041104
Energy: 0.6080513918353867
Energy: 0.663503913041104

minimum gb energy = 0.5459110617445742 eV
minimum distance =  2.3671732572816 Angstroms
sigma value = 17


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

Energy: 0.5625840391943587
Energy: 0.5469184477920993
Energy: 0.5625840391931403
Energy: 0.5469184477929117
Energy: 0.5625840391947649
Energy: 0.5469184477925054
Energy: 0.5638995264039061
Energy: 0.52929460729993
Energy: 0.5638995264039061
Energy: 0.5292946072995239
Energy: 0.5638995264043123
Energy: 0.5292946073011485
Energy: 0.6094312422051889
Energy: 0.5811385568074378
Energy: 0.6094312422043765
Energy: 0.581138556807844
Energy: 0.6094312422039704
Energy: 0.5811385568074378
Energy: 0.5366247919265483
Energy: 0.5861831905667808
Energy: 0.5366247919253299
Energy: 0.5861831905659686
Energy: 0.5366247919245175
Energy: 0.58618319056475
Energy: 0.6276852942378118
Energy: 0.5294844072322203
Energy: 0.6276852942406551
Energy: 0.5294844072322203
Energy: 0.6276852942398428
Energy: 0.5294844072322203
Energy: 0.5954621331602634
Energy: 0.5539658115315185
Energy: 0.5954621331602634
Energy: 0.5539658115307061
Energy: 0.5954621331602634
Energy: 0.5539658115315185
Energy: 0.5603634976311347
Energy: 0.5620545482702932
Energy: 0.5603634976319469
Energy: 0.5620545482694809
Energy: 0.5603634976311347
Energy: 0.5620545482694809
Energy: 0.6030085074586986
Energy: 0.5688388067458192
Energy: 0.6030085074558555
Energy: 0.5688388067462253
Energy: 0.6030085074550432
Energy: 0.5688388067462253
Energy: 0.5761144208386451
Energy: 0.5409318837218163
Energy: 0.5761144208378327
Energy: 0.5409318837230348
Energy: 0.5761144208394574
Energy: 0.5409318837218163
Energy: 0.5570294818302413
Energy: 0.5119713714899891
Energy: 0.5570294818306474
Energy: 0.5119713714899891
Energy: 0.5570294818310536
Energy: 0.5119713714899891
Energy: 0.5126599580298932
Energy: 0.5771412722070891
Energy: 0.512659958029487
Energy: 0.5771412722079015
Energy: 0.5126599580311116
Energy: 0.5771412722099323
Energy: 0.6102732461004766
Energy: 0.5349459417046607
Energy: 0.6102732461004766
Energy: 0.5349459417046607
Energy: 0.6102732461008828
Energy: 0.5349459417042546
Energy: 0.6014231152594713
Energy: 0.5402670699903727
Energy: 0.6014231152582528
Energy: 0.5402670699903727
Energy: 0.6014231152610958
Energy: 0.5402670699903727
Energy: 0.5500541012599427
Energy: 0.6042176975319712
Energy: 0.550054101258318
Energy: 0.6042176975323774
Energy: 0.5500541012587241
Energy: 0.6042176975319712
Energy: 0.5820450164074532
Energy: 0.560715467233322
Energy: 0.5820450164074532
Energy: 0.5607154672329159
Energy: 0.582045016407047
Energy: 0.560715467233322
Energy: 0.5195695722184861
Energy: 0.5990031070741146
Energy: 0.51956957221808
Energy: 0.6080677778215625
Energy: 0.5195695722201108
Energy: 0.6080677778260302
Energy: 0.5580537651648759
Energy: 0.5786137921067473
Energy: 0.5580537651648759
Energy: 0.5786137921067473
Energy: 0.5580537651636575
Energy: 0.5786137921067473
Energy: 0.5857886828885912
Energy: 0.5734902626399345
Energy: 0.5857886828930591
Energy: 0.5734902626399345
Energy: 0.5857886828910281
Energy: 0.5734902626374977
Energy: 0.5688356284620429
Energy: 0.575748926381935
Energy: 0.5688356284632614
Energy: 0.5757489263823411
Energy: 0.5688356284632614
Energy: 0.575748926381935
Energy: 0.5580553332590279
Energy: 0.5330299823393142
Energy: 0.5580553332574032
Energy: 0.533029982338502
Energy: 0.5580553332578094
Energy: 0.5473673545441801
Energy: 0.568858076918509
Energy: 0.5759347169184267
Energy: 0.5688580769165151
Energy: 0.5759347169184267
Energy: 0.568858076918509
Energy: 0.5759347169188328
Energy: 0.5857686106698015
Energy: 0.5733421984132813
Energy: 0.5857686106698015
Energy: 0.5733421984132813
Energy: 0.5857686106689891
Energy: 0.5733421984116566
Energy: 0.5580254966119326
Energy: 0.5787012228390974
Energy: 0.5580254966107141
Energy: 0.5787012228395035
Energy: 0.5580254966119326
Energy: 0.5787012228395035
Energy: 0.5195959951818592
Energy: 0.6202480645531306
Energy: 0.5195959951794222
Energy: 0.6202480645527244
Energy: 0.5195959951818592
Energy: 0.6202480645527244
Energy: 0.5820286617992447
Energy: 0.5608704358962291
Energy: 0.5820286617996508
Energy: 0.5608704358966352
Energy: 0.5820286617996508
Energy: 0.560870435895823
Energy: 0.5500645793896884
Energy: 0.6042676410727741
Energy: 0.5500645793888762
Energy: 0.6042676410727741
Energy: 0.5500645793892823
Energy: 0.6042676410727741
Energy: 0.6013723542366892
Energy: 0.5405577704749763
Energy: 0.6013723542366892
Energy: 0.5405577704745702
Energy: 0.6013723542358769
Energy: 0.5405577704745702
Energy: 0.6103018696800822
Energy: 0.5349673886973626
Energy: 0.6103018696780513
Energy: 0.5349673886973626
Energy: 0.6103018696808944
Energy: 0.5349673886965503
Energy: 0.5127101774032108
Energy: 0.5773611184896913
Energy: 0.5127101774040231
Energy: 0.5773611184900975
Energy: 0.5127101774019922
Energy: 0.5773611184900975
Energy: 0.557031932380987
Energy: 0.5119917725110325
Energy: 0.5570319323822055
Energy: 0.5119917725106262
Energy: 0.5570319323817993
Energy: 0.5119917725106262
Energy: 0.5764064730336946
Energy: 0.5410290709125636
Energy: 0.5764064730336946
Energy: 0.5410290709113451
Energy: 0.5764064730341009
Energy: 0.5410290709125636
Energy: 0.6029969683176453
Energy: 0.5682845703039984
Energy: 0.6029969683188638
Energy: 0.5682845703023738
Energy: 0.6029969683160576
Energy: 0.5682845702999367
Energy: 0.5603623420584789
Energy: 0.5619345882118875
Energy: 0.5603623420576666
Energy: 0.5619345882139183
Energy: 0.5603623420572604
Energy: 0.5619345882139183
Energy: 0.5953285241230688
Energy: 0.5361162475270682
Energy: 0.5953285241250996
Energy: 0.5361162475274743
Energy: 0.5953285241246935
Energy: 0.5361162475274743
Energy: 0.6274447340541532
Energy: 0.5295909961514971
Energy: 0.6274447340513101
Energy: 0.5295909961519032
Energy: 0.6274447340513101
Energy: 0.5295909961519032
Energy: 0.5367408128801437
Energy: 0.592621060102348
Energy: 0.5367408128801437
Energy: 0.5926210601080344
Energy: 0.5367408128809561
Energy: 0.5926210601055975
Energy: 0.6094243797040844
Energy: 0.5808916638638194
Energy: 0.6094243797040844
Energy: 0.5808916638630072
Energy: 0.6094243797040844
Energy: 0.5808916638638194
Energy: 0.5635839865200412
Energy: 0.5293475916394489
Energy: 0.563583986517198
Energy: 0.5293475916386366
Energy: 0.5635839865200412
Energy: 0.5293475916394489
Energy: 0.5625840391919217
Energy: 0.5469184477896624
Energy: 0.5625840391915156
Energy: 0.5469184477892561
Energy: 0.5625840391902971
Energy: 0.5469184477900685
Energy: 0.5638995264014691
Energy: 0.541664330278994
Energy: 0.5638995264018754
Energy: 0.541664330278994
Energy: 0.5638995264002507
Energy: 0.5416643302785878
Energy: 0.6094312422011273
Energy: 0.5811385568066255
Energy: 0.6094312422011273
Energy: 0.5811385568070316
Energy: 0.6094312421999087
Energy: 0.5811385568070316
Energy: 0.5366247919220806
Energy: 0.586183190567187
Energy: 0.5366247919237052
Energy: 0.5861831905663747
Energy: 0.5366247919253299
Energy: 0.5861831905655623
Energy: 0.6276852942309071
Energy: 0.5294844072334388
Energy: 0.6276852942345628
Energy: 0.5294844072338449
Energy: 0.6276852942333442
Energy: 0.5294844072334388

minimum gb energy = 0.5119713714899891 eV
minimum distance =  2.39071064440596 Angstroms
sigma value = 57


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

Energy: 0.5237580704899996
Energy: 0.5071459353999351
Energy: 0.5237580704919835
Energy: 0.5071459354005965
Energy: 0.5237580704919835
Energy: 0.5071459353992739
Energy: 0.5141624180165864
Energy: 0.5010922971046479
Energy: 0.5141624180146024
Energy: 0.5010922971026639
Energy: 0.5141624180231996
Energy: 0.5010922971033253
Energy: 0.5747020198440068
Energy: 0.540898912407724
Energy: 0.5747020198440068
Energy: 0.5408989124083854
Energy: 0.5747020198433455
Energy: 0.5408989124090468
Energy: 0.4832997261366759
Energy: 0.553720871761727
Energy: 0.48329972613799854
Energy: 0.553720871761727
Energy: 0.48329972613799854
Energy: 0.553720871761727
Energy: 0.5146576056876943
Energy: 0.4726945968319104
Energy: 0.5146576056976141
Energy: 0.4726945968332331
Energy: 0.5146576056929848
Energy: 0.4726945968332331
Energy: 0.5543354633278539
Energy: 0.5023834496600319
Energy: 0.5543354633285152
Energy: 0.5023834496606933
Energy: 0.5543354633285152
Energy: 0.5023834496593705
Energy: 0.48198499849441584
Energy: 0.5355701060336341
Energy: 0.48198499849309323
Energy: 0.5355701060323115
Energy: 0.4819849984917705
Energy: 0.5355701060316501
Energy: 0.5174956935023869
Energy: 0.5197120827395099
Energy: 0.5174956926265456
Energy: 0.48241029159926496
Energy: 0.5174956916528275
Energy: 0.4825019692811797
Energy: 0.5120697849360344
Energy: 0.5033505236800533
Energy: 0.512069784935373
Energy: 0.5033505236800533
Energy: 0.5120697849366957
Energy: 0.5033505236800533
Energy: 0.5164221529898648
Energy: 0.5155483680859174
Energy: 0.5164221529892035
Energy: 0.5155483680865788
Energy: 0.5164221529892035
Energy: 0.5155483680859174
Energy: 0.48206996149165804
Energy: 0.5325382127681131
Energy: 0.4820699614883514
Energy: 0.5325382127667904
Energy: 0.48206996148901277
Energy: 0.5325382127714197
Energy: 0.5331594682234226
Energy: 0.48285984881020994
Energy: 0.533159468224084
Energy: 0.4828598488095486
Energy: 0.5331594682234226
Energy: 0.4828598488095486
Energy: 0.5133384065902834
Energy: 0.5803594066097068
Energy: 0.5133384065902834
Energy: 0.5803594066097068
Energy: 0.5133384065902834
Energy: 0.5803594066090454
Energy: 0.4834704563856186
Energy: 0.5373493431552191
Energy: 0.4834704563869412
Energy: 0.5373493431572031
Energy: 0.4834704563849572
Energy: 0.5373493431545577
Energy: 0.561069574245866
Energy: 0.5036948429583956
Energy: 0.5610695742471284
Energy: 0.5036948429583956
Energy: 0.5610695742471284
Energy: 0.5036948429583956
Energy: 0.5120070458164219
Energy: 0.5146084232876286
Energy: 0.5120070458164219
Energy: 0.5146084232889513
Energy: 0.5120070458170833
Energy: 0.5146084232876286
Energy: 0.5197896133307196
Energy: 0.5804916111644137
Energy: 0.5197896133287355
Energy: 0.5804916111644137
Energy: 0.5197896133307196
Energy: 0.5804916111650752
Energy: 0.545543483462895
Energy: 0.5031603842629105
Energy: 0.5455434834609111
Energy: 0.5031603842609267
Energy: 0.545543483462895
Energy: 0.5031603842615879
Energy: 0.4926561409276361
Energy: 0.5502167000091813
Energy: 0.49265614092895876
Energy: 0.55021670000852
Energy: 0.49265614092895876
Energy: 0.5502167000091813
Energy: 0.4952847921033707
Energy: 0.5528428277090779
Energy: 0.4952847921046934
Energy: 0.5528428277097392
Energy: 0.4952847921033707
Energy: 0.5528428277097392
Energy: 0.5521403541130446
Energy: 0.6597392355762671
Energy: 0.552140354111722
Energy: 0.6597392355762671
Energy: 0.5521403541123833
Energy: 0.6597392355762671
Energy: 0.4947721259399182
Energy: 0.6055099593886138
Energy: 0.4947721259372729
Energy: 0.6055099593886138
Energy: 0.49477212593925685
Energy: 0.6055099593892752
Energy: 0.5205668710873015
Energy: 0.5373478303938911
Energy: 0.5205668710899467
Energy: 0.5373478303945525
Energy: 0.5205668710886241
Energy: 0.5373478303938911
Energy: 0.5314339364578221
Energy: 0.5450502441128872
Energy: 0.5314339364571609
Energy: 0.5450502441109033
Energy: 0.5314339364584835
Energy: 0.5450502441115646
Energy: 0.5217321634449008
Energy: 0.6476416958545673
Energy: 0.5217320904096066
Energy: 0.6476416958545673
Energy: 0.5217319424505004
Energy: 0.6476416958545673
Energy: 0.5109484691515659
Energy: 0.5371996265414046
Energy: 0.5109484691515659
Energy: 0.5371996265407434
Energy: 0.5109484691515659
Energy: 0.5371996265414046
Energy: 0.4915439851330969
Energy: 0.60366246123369
Energy: 0.49154398513375824
Energy: 0.6036624612343514
Energy: 0.4915439851330969
Energy: 0.60366246123369

minimum gb energy = 0.4726945968319104 eV
minimum distance =  2.33046297066827 Angstroms
sigma value = 43


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

Energy: 0.492311099381971
Energy: 0.450487683165704
Energy: 0.4923110993887169
Energy: 0.4504876831661857
Energy: 0.4923110993891987
Energy: 0.450487683165704
Energy: 0.5118477601887463
Energy: 0.4494864222188018
Energy: 0.5118477601882646
Energy: 0.4494864222188018
Energy: 0.5118477601887463
Energy: 0.4494864222188018
Energy: 0.49584845470785377
Energy: 0.48385176980791467
Energy: 0.4958484547083357
Energy: 0.48385176980791467
Energy: 0.4958484547083357
Energy: 0.48385176980743283
Energy: 0.44974681020326573
Energy: 0.4721282566207972
Energy: 0.4497468102037476
Energy: 0.47212825662127905
Energy: 0.44974681020326573
Energy: 0.47212825662176094
Energy: 0.4910794687504201
Energy: 0.4158795347326439
Energy: 0.4910794687484928
Energy: 0.41587953473360756
Energy: 0.4910794687494565
Energy: 0.41587953473360756
Energy: 0.4736937217758075
Energy: 0.4390979559664784
Energy: 0.4736937217762893
Energy: 0.4390979559664784
Energy: 0.4736937217758075
Energy: 0.43909795596599654
Energy: 0.4507607741376514
Energy: 0.4601953959517934
Energy: 0.4507607741366877
Energy: 0.4601953959527571
Energy: 0.4507607741366877
Energy: 0.4601953959517934
Energy: 0.5143852884934059
Energy: 0.4076166692948534
Energy: 0.5143852884948515
Energy: 0.4076166692948534
Energy: 0.5143852884938879
Energy: 0.4076166692948534
Energy: 0.4574960768607149
Energy: 0.43690174964023365
Energy: 0.4574960768611968
Energy: 0.43690174964023365
Energy: 0.4574960768607149
Energy: 0.43690174964023365
Energy: 0.49232137378090973
Energy: 0.446507494256918
Energy: 0.49232137378139157
Energy: 0.4465074942578817
Energy: 0.49232137378042784
Energy: 0.44650749425643604
Energy: 0.5303259897632523
Energy: 0.4532588885005575
Energy: 0.5303259897651798
Energy: 0.4532588885020031
Energy: 0.5303259897651798
Energy: 0.4532588885000756
Energy: 0.43187150123503765
Energy: 0.4373308848775685
Energy: 0.43187150123503765
Energy: 0.4373308848770867
Energy: 0.4318715012345558
Energy: 0.4373308848770867
Energy: 0.49155889968961136
Energy: 0.4297323719117947
Energy: 0.4915588996891295
Energy: 0.4297323719117947
Energy: 0.49155889968961136
Energy: 0.4297323719113128
Energy: 0.5352621400740668
Energy: 0.4788378311321549
Energy: 0.5352621400745486
Energy: 0.4788378311326367
Energy: 0.5352621400750305
Energy: 0.47883783113167305
Energy: 0.4458400394133022
Energy: 0.4801834984654776
Energy: 0.4458400394128204
Energy: 0.4801834984654776
Energy: 0.4458400394133022
Energy: 0.4801834984654776
Energy: 0.4953005383824206
Energy: 0.4758010919697846
Energy: 0.4953005383824206
Energy: 0.4758010919697846
Energy: 0.4953005383829025
Energy: 0.4758010919702665
Energy: 0.5328979964105286
Energy: 0.4761407612618569
Energy: 0.5328979964105286
Energy: 0.47614076126089316
Energy: 0.5328979964105286
Energy: 0.47614076125992955
Energy: 0.460437523835726
Energy: 0.4320966537023117
Energy: 0.4604375238352443
Energy: 0.43209665370327544
Energy: 0.4604375238352443
Energy: 0.43209665370327544
Energy: 0.42221259758219976
Energy: 0.499004362078937
Energy: 0.422212597581236
Energy: 0.499004362078937
Energy: 0.42221259758171786
Energy: 0.499004362078937
Energy: 0.4379820631418707
Energy: 0.43452626694979846
Energy: 0.43798206314331634
Energy: 0.4345262669493165
Energy: 0.4379820631423526
Energy: 0.43452626695558055
Energy: 0.48650897120564085
Energy: 0.4397406834943062
Energy: 0.48650897120564085
Energy: 0.4397406834943062
Energy: 0.48650897120564085
Energy: 0.4397406834943062
Energy: 0.4524510679985085
Energy: 0.49001993087157303
Energy: 0.4524510679980266
Energy: 0.49001993087157303
Energy: 0.4524510679980266
Energy: 0.4900199308710912
Energy: 0.45366628950825194
Energy: 0.49203991676087844
Energy: 0.45366628950825194
Energy: 0.4920399167613602
Energy: 0.45366628950825194
Energy: 0.49203991676087844
Energy: 0.47047652294068026
Energy: 0.438487815042773
Energy: 0.47047652294116216
Energy: 0.438487815042773
Energy: 0.47047652294116216
Energy: 0.438487815042773
Energy: 0.42103593623830293
Energy: 0.4366118998582124
Energy: 0.42103593623782115
Energy: 0.4366118998582124
Energy: 0.4210359362392666
Energy: 0.43661189985724874
Energy: 0.4305798896875487
Energy: 0.4794554122428584
Energy: 0.430579889686585
Energy: 0.4794554122428584
Energy: 0.430579889686585
Energy: 0.4794554122428584
Energy: 0.47473769349551936
Energy: 0.4320812527240706
Energy: 0.4747376934950376
Energy: 0.4320812527235889
Energy: 0.4747376934950376
Energy: 0.4320812527240706
Energy: 0.40348851772273653
Energy: 0.483741517373449
Energy: 0.4034885177208091
Energy: 0.483741517373449
Energy: 0.40348851772273653
Energy: 0.48374151737200355
Energy: 0.4312049222850198
Energy: 0.45510298542629085
Energy: 0.4312049222850198
Energy: 0.45510298542629085
Energy: 0.4312049222850198
Energy: 0.45510298542629085
Energy: 0.44227492468218055
Energy: 0.436673114131856
Energy: 0.4422749246826624
Energy: 0.43667311413137416
Energy: 0.4422749246831443
Energy: 0.43667311413137416
Energy: 0.4092603385551693
Energy: 0.4841288215704099
Energy: 0.40926033855468735
Energy: 0.484128821569928
Energy: 0.4092603385551693
Energy: 0.48412882156896425
Energy: 0.43228332721559765
Energy: 0.4474815056999783
Energy: 0.43228332721559765
Energy: 0.44748150570046014
Energy: 0.43228332721511575
Energy: 0.4474815056999783
Energy: 0.42901036178741564
Energy: 0.43704200275294536
Energy: 0.4290103617854882
Energy: 0.4370420027524636
Energy: 0.4290103617869338
Energy: 0.43704200275294536
Energy: 0.5313782774264965
Energy: 0.479707562651301
Energy: 0.5313782774269784
Energy: 0.479707562651301
Energy: 0.5313782774264965
Energy: 0.4797075626532284
Energy: 0.44659439862893696
Energy: 0.43242224855204725
Energy: 0.44659439862797323
Energy: 0.43242224855060163
Energy: 0.44659439862845507
Energy: 0.43242224855252903
Energy: 0.40083380261535756
Energy: 0.48300593080758414
Energy: 0.40083380261535756
Energy: 0.48300593080758414
Energy: 0.40083380261439383
Energy: 0.48300593080758414

minimum gb energy = 0.40083380261439383 eV
minimum distance =  2.33072024942484 Angstroms
sigma value = 81


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

Energy: 0.02909867281440393
Energy: 0.058582248265529394
Energy: 0.02909867281440393
Energy: 0.05858224826729981
Energy: 0.02909867281440393
Energy: 0.05858224826729981
Energy: 0.3150992415406473
Energy: 0.031786923389192076
Energy: 0.3150992415406473
Energy: 0.0317869233909625
Energy: 0.3150992415406473
Energy: 0.0317869233909625
Energy: 0.31513982819371184
Energy: 0.03164111251696948
Energy: 0.31513982819371184
Energy: 0.0316411125187399
Energy: 0.31513982819371184
Energy: 0.0316411125187399
Energy: 0.02909867281440393
Energy: 0.05858224826729981
Energy: 0.02909867281440393
Energy: 0.05858224826729981
Energy: 0.02909867281440393
Energy: 0.05858224826729981
Energy: 0.3150992415406473
Energy: 0.0317869233909625
Energy: 0.3150992415406473
Energy: 0.031786923389192076
Energy: 0.3150992415406473
Energy: 0.0317869233909625
Energy: 0.31513982819371184
Energy: 0.031641112536444124
Energy: 0.31513982819371184
Energy: 0.031641112536444124
Energy: 0.31513982819371184
Energy: 0.03164111253290328
Energy: 0.02909867281440393
Energy: 0.058582248269070235
Energy: 0.02909867281440393
Energy: 0.058582248269070235
Energy: 0.02909867281440393
Energy: 0.05858224826729981
Energy: 0.3150992415406473
Energy: 0.031786923389192076
Energy: 0.3150992415406473
Energy: 0.031786923389192076
Energy: 0.3150992415406473
Energy: 0.0317869233909625
Energy: 0.31513982819371184
Energy: 0.031641112550607496
Energy: 0.31513982819371184
Energy: 0.031641112554148344
Energy: 0.31513982819371184
Energy: 0.031641112554148344
Energy: 0.02909867281440393
Energy: 0.05858224826729981
Energy: 0.02909867281440393
Energy: 0.05858224826729981
Energy: 0.02909867281440393
Energy: 0.05858224826729981

minimum gb energy = 0.02909867281440393 eV
minimum distance =  2.53082443377432 Angstroms
sigma value = 3


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

Energy: 0.4274311707475536
Energy: 0.3940750389992683
Energy: 0.4274311707475536
Energy: 0.3940750389992683
Energy: 0.42743117074702375
Energy: 0.39407503899873847
Energy: 0.4022405478757243
Energy: 0.4041752426315196
Energy: 0.4022405478757243
Energy: 0.40417524263204935
Energy: 0.4022405478757243
Energy: 0.40417524263204935
Energy: 0.4340690823558169
Energy: 0.40315266369719915
Energy: 0.4340690823563467
Energy: 0.40315266369719915
Energy: 0.4509893686732896
Energy: 0.40315266369719915
Energy: 0.4168983971412899
Energy: 0.38510618289931103
Energy: 0.41689839714076016
Energy: 0.38510618289878124
Energy: 0.41689839714076016
Energy: 0.38510618289931103
Energy: 0.3510817555641926
Energy: 0.40474899967914735
Energy: 0.3510817555641926
Energy: 0.40474899967914735
Energy: 0.3510817555610138
Energy: 0.4047489996796771
Energy: 0.42052072109127764
Energy: 0.4204193041791616
Energy: 0.42052072109021804
Energy: 0.4204193041791616
Energy: 0.4205207210907478
Energy: 0.42041930418022117
Energy: 0.42630381199599504
Energy: 0.3950856102209117
Energy: 0.42630381199599504
Energy: 0.3950856102193223
Energy: 0.42630381199599504
Energy: 0.3950856102214415
Energy: 0.34949980542936515
Energy: 0.40503163612355764
Energy: 0.34949980543042475
Energy: 0.4050316361240874
Energy: 0.34949980542936515
Energy: 0.4050316361240874
Energy: 0.42817582880160304
Energy: 0.4300808913000977
Energy: 0.42817582880160304
Energy: 0.4300808913000977
Energy: 0.4281758288010733
Energy: 0.4300808912995679
Energy: 0.3879465107988061
Energy: 0.3858970996855454
Energy: 0.38794651079933584
Energy: 0.3858970996850156
Energy: 0.3879465107998657
Energy: 0.3858970996855454
Energy: 0.3725153903162404
Energy: 0.39243499617306987
Energy: 0.3725153903162404
Energy: 0.3924349961735997
Energy: 0.3725153903162404
Energy: 0.3924349961735997
Energy: 0.4404778940351257
Energy: 0.447526518510058
Energy: 0.4404778940356555
Energy: 0.4475265185095282
Energy: 0.4404778940361853
Energy: 0.4475265185105877
Energy: 0.41759435085738733
Energy: 0.365860032878336
Energy: 0.41759435085738733
Energy: 0.3658600328778062
Energy: 0.41759435085685753
Energy: 0.3658600328778062
Energy: 0.39244701533319204
Energy: 0.4393791508735246
Energy: 0.39244701533372184
Energy: 0.4393791508735246
Energy: 0.39244701533372184
Energy: 0.43937915087405427
Energy: 0.42343088646837845
Energy: 0.4350749490728053
Energy: 0.42343088646837845
Energy: 0.4350749490728053
Energy: 0.4234308864689082
Energy: 0.4350749490728053
Energy: 0.4169090285722537
Energy: 0.35421662689405686
Energy: 0.41690902857119416
Energy: 0.35421662689458666
Energy: 0.4169090285717239
Energy: 0.35421662689352706
Energy: 0.3213232815998902
Energy: 0.44346851821599415
Energy: 0.3213232816014796
Energy: 0.44346851821599415
Energy: 0.3213232815998902
Energy: 0.44346851821599415
Energy: 0.4037770267742194
Energy: 0.4129860310791158
Energy: 0.40377702677474925
Energy: 0.4129860310791158
Energy: 0.4037770267736896
Energy: 0.412986031078586
Energy: 0.4170640394777021
Energy: 0.3504872305318721
Energy: 0.4170640394777021
Energy: 0.3504872305324019
Energy: 0.4170640394777021
Energy: 0.3504872305313423
Energy: 0.4087426865147049
Energy: 0.4242223409923671
Energy: 0.40874268651417517
Energy: 0.4242223409923671
Energy: 0.40874268651417517
Energy: 0.4242223409934026
Energy: 0.404428136665547
Energy: 0.39972582197459294
Energy: 0.40442813666501715
Energy: 0.3997258219740631
Energy: 0.404428136665547
Energy: 0.3997258219740631
Energy: 0.40354125187074785
Energy: 0.40154789937092933
Energy: 0.4035412518712776
Energy: 0.40154789937092933
Energy: 0.4035412518712776
Energy: 0.40154789937092933
Energy: 0.4076394638654834
Energy: 0.4104438013130198
Energy: 0.40763946386442385
Energy: 0.4104438013130198
Energy: 0.407639463863894
Energy: 0.4104438013130198
Energy: 0.4128910647655927
Energy: 0.34104727880868074
Energy: 0.4128910647666523
Energy: 0.34104727880868074
Energy: 0.4128910647655927
Energy: 0.34104727880868074
Energy: 0.41793882496557394
Energy: 0.42109099175059844
Energy: 0.41793882496557394
Energy: 0.4210909917500686
Energy: 0.41793882496557394
Energy: 0.42109099175059844
Energy: 0.40404004152628686
Energy: 0.42034516652605497
Energy: 0.40404004152628686
Energy: 0.42034516652605497
Energy: 0.40404004152628686
Energy: 0.42034516652658477
Energy: 0.4232601573062759
Energy: 0.34106219801708804
Energy: 0.4232601573057462
Energy: 0.34106219801708804
Energy: 0.4232601573062759
Energy: 0.3410621980165582
Energy: 0.42438323525956784
Energy: 0.43691014328900296
Energy: 0.4243832352585082
Energy: 0.43691014328900296
Energy: 0.4243832352585082
Energy: 0.43691014328900296
Energy: 0.40095172218549413
Energy: 0.39996571042338736
Energy: 0.40095172218549413
Energy: 0.3999657104239172
Energy: 0.40095172218549413
Energy: 0.39996571042338736
Energy: 0.42581696735281255
Energy: 0.36729525058929835
Energy: 0.4258169673533424
Energy: 0.3672952505908878
Energy: 0.42581696735493174
Energy: 0.36729525059141754
Energy: 0.4429785768256453
Energy: 0.42769417358751405
Energy: 0.4429785768251155
Energy: 0.4276941735880439
Energy: 0.4429785768251155
Energy: 0.42769417358751405
Energy: 0.38164228112996257
Energy: 0.4202070561595633
Energy: 0.3816422811294327
Energy: 0.4202070561595633
Energy: 0.3816422811289029
Energy: 0.4202070561595633
Energy: 0.44573814016853536
Energy: 0.4081642305125014
Energy: 0.44573814016853536
Energy: 0.4081642305130312
Energy: 0.44573814016853536
Energy: 0.4081642305130312

minimum gb energy = 0.3213232815998902 eV
minimum distance =  2.39358759684036 Angstroms
sigma value = 67


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

Energy: 0.5427589691902205
Energy: 0.54041343632229
Energy: 0.5427589691909754
Energy: 0.540413436321535
Energy: 0.5427589691909754
Energy: 0.54041343632229
Energy: 0.5052516913379311
Energy: 0.5159938358135313
Energy: 0.5052516913371763
Energy: 0.5159938358135313
Energy: 0.5052516913371763
Energy: 0.5159938358142863
Energy: 0.5537548477518105
Energy: 0.5323569860808813
Energy: 0.5537548477510558
Energy: 0.5323569860808813
Energy: 0.5537548477525654
Energy: 0.5323569860808813
Energy: 0.5386823286022538
Energy: 0.5173063012562856
Energy: 0.5386823286014989
Energy: 0.5173063012562856
Energy: 0.5386823286014989
Energy: 0.5173063012555307
Energy: 0.45899163151919686
Energy: 0.4946689930964318
Energy: 0.4589916315199518
Energy: 0.4946689930964318
Energy: 0.458991631518442
Energy: 0.4946689930964318
Energy: 0.5381566858406854
Energy: 0.5375805008160452
Energy: 0.5381566858406854
Energy: 0.5375805008160452
Energy: 0.5381566858391754
Energy: 0.5375805008160452
Energy: 0.5371568240846866
Energy: 0.4965661910643602
Energy: 0.5371568240839316
Energy: 0.4965661910636053
Energy: 0.5371568240846866
Energy: 0.4965661910636053
Energy: 0.4852890799766423
Energy: 0.4962788119454745
Energy: 0.4852890799766423
Energy: 0.49627881194471957
Energy: 0.4852890799766423
Energy: 0.49627881194471957
Energy: 0.5532041971316688
Energy: 0.5624752019525276
Energy: 0.5532041971309138
Energy: 0.5624752019525276
Energy: 0.553204197130159
Energy: 0.5624752019540373
Energy: 0.536064760885173
Energy: 0.4695627949061696
Energy: 0.5360647608844181
Energy: 0.46956279490541464
Energy: 0.536064760885173
Energy: 0.4695627949061696
Energy: 0.5088859067505715
Energy: 0.5392585031927961
Energy: 0.5088859067513265
Energy: 0.5392585031927961
Energy: 0.5088859067513265
Energy: 0.5392585031920412
Energy: 0.5025460650513162
Energy: 0.5248035402941459
Energy: 0.5025460650505614
Energy: 0.5248035402949007
Energy: 0.5025460650513162
Energy: 0.5248035402941459
Energy: 0.5305319309247425
Energy: 0.5051464863251914
Energy: 0.5305319309254973
Energy: 0.5051464863251914
Energy: 0.5305319309254973
Energy: 0.5051464863251914
Energy: 0.4979482359375153
Energy: 0.5362708809025654
Energy: 0.49794823593827026
Energy: 0.5362708809018104
Energy: 0.4979482359375153
Energy: 0.5362708809018104
Energy: 0.4958853919779192
Energy: 0.4978608590313967
Energy: 0.4958853919779192
Energy: 0.4978608590306419
Energy: 0.4958853919786742
Energy: 0.4978608590313967
Energy: 0.49453189971383754
Energy: 0.513331842288876
Energy: 0.4945318997130827
Energy: 0.513331842288876
Energy: 0.49453189971232775
Energy: 0.513331842288876
Energy: 0.5162207270155247
Energy: 0.5366101675711699
Energy: 0.5162207270147696
Energy: 0.5366101675726799
Energy: 0.5162207270155247
Energy: 0.5366101675719248
Energy: 0.502558839798398
Energy: 0.4958152798004158
Energy: 0.5025588397991528
Energy: 0.4958152798004158
Energy: 0.5025588397991528
Energy: 0.4958152798011707
Energy: 0.5347720386374522
Energy: 0.5403461899370928
Energy: 0.5347720386374522
Energy: 0.5403461899363379
Energy: 0.5347720386366973
Energy: 0.5403461899370928
Energy: 0.45457698306412303
Energy: 0.53872649985766
Energy: 0.45457698306336813
Energy: 0.53872649985766
Energy: 0.45457698306336813
Energy: 0.5387264998569051
Energy: 0.546690665626899
Energy: 0.47061500405552303
Energy: 0.5466906656261443
Energy: 0.47061500405552303
Energy: 0.5466906656261443
Energy: 0.47061500405552303
Energy: 0.5539277638423931
Energy: 0.5637314596072381
Energy: 0.553927763843903
Energy: 0.5637314596064831
Energy: 0.553927763843148
Energy: 0.5637314596064831
Energy: 0.47812087563701633
Energy: 0.5269910197778105
Energy: 0.47812087563701633
Energy: 0.5269910197778105
Energy: 0.47812087563777117
Energy: 0.526991019776335

minimum gb energy = 0.45457698306336813 eV
minimum distance =  2.39781348972018 Angstroms
sigma value = 33


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

Energy: 0.6130902646425195
Energy: 0.5476032960379802
Energy: 0.6130902646439561
Energy: 0.5476032960379802
Energy: 0.6130902646434773
Energy: 0.5476032960379802
Energy: 0.5679959096633231
Energy: 0.5997943744388784
Energy: 0.5679959096633231
Energy: 0.5997943744388784
Energy: 0.5679959096633231
Energy: 0.5997943744388784
Energy: 0.5969776109095591
Energy: 0.5992461256905385
Energy: 0.5969776109095591
Energy: 0.5992461256905385
Energy: 0.5969776109090803
Energy: 0.5992461256905385
Energy: 0.6104407723897501
Energy: 0.5921483456940504
Energy: 0.6104407723887924
Energy: 0.5921483456940504
Energy: 0.6104407723897501
Energy: 0.5921483456935714
Energy: 0.5512290567116789
Energy: 0.5763406233150035
Energy: 0.5512290567135945
Energy: 0.5763406233145246
Energy: 0.5512290567116789
Energy: 0.5763406233145246
Energy: 0.6359901920314495
Energy: 0.632489640447356
Energy: 0.6359901920319284
Energy: 0.632489640446877
Energy: 0.6359901920324073
Energy: 0.6637822368349652
Energy: 0.564108612654192
Energy: 0.5570642420605622
Energy: 0.564108612654192
Energy: 0.5570642420610411
Energy: 0.5641086126546709
Energy: 0.5570642420610411
Energy: 0.5747559436282116
Energy: 0.6172871310803912
Energy: 0.5747559436282116
Energy: 0.6172871310808701
Energy: 0.5747559436277326
Energy: 0.6172871310803912
Energy: 0.6079411843560903
Energy: 0.61342290320737
Energy: 0.6079411843560903
Energy: 0.61342290320737
Energy: 0.6079411843565693
Energy: 0.61342290320737
Energy: 0.5998573806216443
Energy: 0.5997559246418542
Energy: 0.5998573806206866
Energy: 0.5997559246423331
Energy: 0.5998573806216443
Energy: 0.6084265411490188
Energy: 0.6201172464384015
Energy: 0.6009814380210996
Energy: 0.6201172464388803
Energy: 0.6009814380210996
Energy: 0.6201172464398381
Energy: 0.6009814380210996
Energy: 0.5651507226177299
Energy: 0.5759670961293029
Energy: 0.5651507226186878
Energy: 0.5759670961293029
Energy: 0.5651507226182089
Energy: 0.5759670961293029
Energy: 0.6103979563852626
Energy: 0.5686057267247286
Energy: 0.6103979563847837
Energy: 0.5686057267247286
Energy: 0.6103979563852626
Energy: 0.5686057267242498
Energy: 0.577756741297581
Energy: 0.5976060191662843
Energy: 0.5777567412966234
Energy: 0.5976060191662843
Energy: 0.577756741297581
Energy: 0.5976060191662843
Energy: 0.5723292003605955
Energy: 0.5747588287854999
Energy: 0.5723292003610745
Energy: 0.5747588287850209
Energy: 0.5723292003596377
Energy: 0.5747588287850209
Energy: 0.610955607371676
Energy: 0.60649251367881
Energy: 0.610955607371676
Energy: 0.60649251367881
Energy: 0.6109556073702392
Energy: 0.60649251367881
Energy: 0.5518500454126334
Energy: 0.598569259108105
Energy: 0.5518500454112402
Energy: 0.598569259108105
Energy: 0.5518500454135913
Energy: 0.598569259108105
Energy: 0.6081695227482459
Energy: 0.6057122866167404
Energy: 0.6081695227492036
Energy: 0.6057122866167404
Energy: 0.6081695227492036
Energy: 0.6057122866167404
Energy: 0.5637699103459851
Energy: 0.5643857464147157
Energy: 0.563769910346464
Energy: 0.5643857464147157
Energy: 0.5637699103455062
Energy: 0.5643857464142368
Energy: 0.574745180388138
Energy: 0.5995639860780426
Energy: 0.574745180388617
Energy: 0.5995639860780426
Energy: 0.5747451803890958
Energy: 0.5995639860775637
Energy: 0.604342123418883
Energy: 0.6033507503789807
Energy: 0.6043421234174464
Energy: 0.6033507503789807
Energy: 0.6043421234184041
Energy: 0.6033507503785018
Energy: 0.5722910684189
Energy: 0.5276544327657474
Energy: 0.5722910684189
Energy: 0.5276544327652685
Energy: 0.5722910684184211
Energy: 0.5276544327662263
Energy: 0.6014578403123346
Energy: 0.6010249597140872
Energy: 0.6014578403123346
Energy: 0.6010249597140872
Energy: 0.6014578403132925
Energy: 0.6010249597140872
Energy: 0.5999313392628578
Energy: 0.5741173081346802
Energy: 0.5999313392628578
Energy: 0.5741173081351592
Energy: 0.5999313392638156
Energy: 0.5741173081351592
Energy: 0.5660373280059187
Energy: 0.5823086656560452
Energy: 0.5660373280059187
Energy: 0.5823086656560452
Energy: 0.5660373280059187
Energy: 0.5823086656560452
Energy: 0.6017948696760261
Energy: 0.6043921376996707
Energy: 0.601794869676505
Energy: 0.6043921377001497
Energy: 0.601794869676505
Energy: 0.6043921376996707
Energy: 0.5639995438132752
Energy: 0.5742340026632087
Energy: 0.5639995438137541
Energy: 0.5742340026632087
Energy: 0.5639995438142329
Energy: 0.5742340026632087
Energy: 0.6060558006105129
Energy: 0.660335185403282
Energy: 0.6060558006095551
Energy: 0.660335185403282
Energy: 0.6060558006095551
Energy: 0.660335185403282
Energy: 0.5738075517945176
Energy: 0.5766422974314173
Energy: 0.5738075517945176
Energy: 0.5766422974309383
Energy: 0.5738075517949964
Energy: 0.5766422974318962
Energy: 0.5591797498182224
Energy: 0.5566694370521117
Energy: 0.5591797498172645
Energy: 0.5566694370525906
Energy: 0.5591797498187013
Energy: 0.5566694370525906
Energy: 0.6452298636740511
Energy: 0.6317702997340274
Energy: 0.6452298636735722
Energy: 0.6317702997340274
Energy: 0.6452298636740511
Energy: 0.6317702997340274
Energy: 0.5505113058319979
Energy: 0.5994919841873986
Energy: 0.550511305831519
Energy: 0.5994919841873986
Energy: 0.550511305831519
Energy: 0.5994919841873986
Energy: 0.6048367023780794
Energy: 0.585294731013391
Energy: 0.6048367023780794
Energy: 0.5852947310143488
Energy: 0.6048367023790372
Energy: 0.5852947310129121
Energy: 0.5726734491750951
Energy: 0.599600057562871
Energy: 0.572673449175574
Energy: 0.599600057562871
Energy: 0.5726734491750951
Energy: 0.599600057562871
Energy: 0.5737576763240595
Energy: 0.5969540158751175
Energy: 0.5737576763269329
Energy: 0.5969540158751175
Energy: 0.5737576763240595
Energy: 0.5969540158751175
Energy: 0.6066562179278291
Energy: 0.5720722552772145
Energy: 0.6066562179278291
Energy: 0.5720722552772145
Energy: 0.606656217928308
Energy: 0.5720722552772145
Energy: 0.5626300221963092
Energy: 0.5669801350913132
Energy: 0.562630022196788
Energy: 0.5669801350917921
Energy: 0.5626300221963092
Energy: 0.5669801350908343

minimum gb energy = 0.5276544327652685 eV
minimum distance =  2.37768124090662 Angstroms
sigma value = 41


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

Energy: 0.7210752344153486
Energy: 0.7153966090817404
Energy: 0.7210752344153486
Energy: 0.7153966090830479
Energy: 0.7210752344153486
Energy: 0.7153966090830479
Energy: 0.6819304449042859
Energy: 0.7034944910055626
Energy: 0.6819304449042859
Energy: 0.7034944910055626
Energy: 0.6819304449042859
Energy: 0.7034944910055626
Energy: 0.7582886047137326
Energy: 0.701354098249853
Energy: 0.7582886047137326
Energy: 0.701354098249853
Energy: 0.7741027180630355
Energy: 0.701354098249853
Energy: 0.7178472172073912
Energy: 0.7016330357078119
Energy: 0.7178472172086987
Energy: 0.7016330357091193
Energy: 0.7178472172086987
Energy: 0.7016330357091193
Energy: 0.6696715878342756
Energy: 0.7153416294823688
Energy: 0.6696715878355832
Energy: 0.7153416294823688
Energy: 0.6696715878342756
Energy: 0.7153416294823688
Energy: 0.7380040944343766
Energy: 0.7359572218785774
Energy: 0.7380040944343766
Energy: 0.7359572218785774
Energy: 0.7380040944343766
Energy: 0.7359572218785774
Energy: 0.7061623956960511
Energy: 0.6817996604678404
Energy: 0.7061623956947436
Energy: 0.6817996604678404
Energy: 0.7061623956960511
Energy: 0.6817996604678404
Energy: 0.699221888477829
Energy: 0.7045694116531558
Energy: 0.699221888477829
Energy: 0.7045694116544633
Energy: 0.699221888477829
Energy: 0.7045694116531558
Energy: 0.6818560829232251
Energy: 0.6828454179260982
Energy: 0.6818560829232251
Energy: 0.6828454179247907
Energy: 0.6818560829232251
Energy: 0.6828454179260982
Energy: 0.707543022028457
Energy: 0.6964427463228317
Energy: 0.707543022028457
Energy: 0.6964427463228317
Energy: 0.707543022028457
Energy: 0.6964427463241392
Energy: 0.7186616799730763
Energy: 0.7016074108616301
Energy: 0.7186616799717687
Energy: 0.7016074108616301
Energy: 0.7596077934926663
Energy: 0.7016074108616301
Energy: 0.695384210246959
Energy: 0.7037869292423328
Energy: 0.695384210246959
Energy: 0.7037869292423328
Energy: 0.695384210246959
Energy: 0.7037869292423328
Energy: 0.7127331528791655
Energy: 0.7230320103764593
Energy: 0.7127331528791655
Energy: 0.7230320103777669
Energy: 0.7127331528791655
Energy: 0.7230320103777669
Energy: 0.6676689494789245
Energy: 0.7047720920863239
Energy: 0.6676689494789245
Energy: 0.7047720920863239
Energy: 0.6676689494789245
Energy: 0.7047720920863239

minimum gb energy = 0.6676689494789245 eV
minimum distance =  2.35730471075467 Angstroms
sigma value = 11


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

Energy: 0.8256025663531108
Energy: 0.804191718775935
Energy: 0.8256025663531108
Energy: 0.804191718775935
Energy: 0.8256025663531108
Energy: 0.804191718775935
Energy: 0.7643770687869665
Energy: 0.787035952216528
Energy: 0.7643770687869665
Energy: 0.787035952216528
Energy: 0.7643770687869665
Energy: 0.787035952216528
Energy: 0.8312938894086397
Energy: 0.7810086997792638
Energy: 0.8312938894080654
Energy: 0.7810086997792638
Energy: 0.8312938894080654
Energy: 0.7810086997786894
Energy: 0.7847373755443967
Energy: 0.7798020824982838
Energy: 0.7847373755443967
Energy: 0.7798020824982838
Energy: 0.7847373755443967
Energy: 0.7798020824982838
Energy: 0.8082967827800666
Energy: 0.7859150056253281
Energy: 0.8082967827812153
Energy: 0.7859150056259024
Energy: 0.8082967827794921
Energy: 0.7859150056259024
Energy: 0.7840976818101625
Energy: 0.7916985761473939
Energy: 0.7840976818118859
Energy: 0.7916985761473939
Energy: 0.7840976818101625
Energy: 0.7916985761473939
Energy: 0.7863581860647637
Energy: 0.781665338472391
Energy: 0.7863581860653381
Energy: 0.781665338472391
Energy: 0.7863581860647637
Energy: 0.7816653384729655
Energy: 0.7811491391515958
Energy: 0.785628370792943
Energy: 0.7811491391515958
Energy: 0.785628370792943
Energy: 0.7811491391515958
Energy: 0.7856283707935174
Energy: 0.7841581260003423
Energy: 0.7868934755373932
Energy: 0.7841581259997679
Energy: 0.7868934755379675
Energy: 0.7841581259997679
Energy: 0.7868934755373932
Energy: 0.7776956759398352
Energy: 0.7963477658047962
Energy: 0.7776956759398352
Energy: 0.7963477658047962
Energy: 0.7776956759398352
Energy: 0.7963477658047962
Energy: 0.7721587955015694
Energy: 0.7889053108411824
Energy: 0.7721587955015694
Energy: 0.7889053108411824
Energy: 0.772158795500995
Energy: 0.7889053108411824
Energy: 0.8061731345911711
Energy: 0.7961636332752932
Energy: 0.8061731345911711
Energy: 0.7961636332752932
Energy: 0.8061731345917457
Energy: 0.7961636332752932
Energy: 0.7842980649650984
Energy: 0.7907843972769806
Energy: 0.7842980649656728
Energy: 0.7907843972769806
Energy: 0.7842980649650984
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Energy: 0.8130054667598832
Energy: 0.7670751713975655
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Energy: 0.7670751713975655
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Energy: 0.7670751713981399
Energy: 0.7690372709267893
Energy: 0.7710921940649669
Energy: 0.7690372709273638
Energy: 0.7710921940655412
Energy: 0.7799689679996965
Energy: 0.7710921940655412
Energy: 0.7863700815778637
Energy: 0.787218721895525
Energy: 0.7863700815778637
Energy: 0.787218721895525
Energy: 0.7863700815778637
Energy: 0.7872187218949508
Energy: 0.7726833892329454
Energy: 0.7835008762332447
Energy: 0.7726833892329454
Energy: 0.7835008762332447
Energy: 0.7726833892335199
Energy: 0.7835008762332447
Energy: 0.7882006678058473
Energy: 0.8079330564325969
Energy: 0.7882006678064216
Energy: 0.8079330564325969
Energy: 0.7882006678064216
Energy: 0.8079330564325969
Energy: 0.7829935082972623
Energy: 0.7795469002645797
Energy: 0.7829935082972623
Energy: 0.7795469002651543
Energy: 0.7829935082972623
Energy: 0.7795469002645797
Energy: 0.7815958351262043
Energy: 0.7862522278789293
Energy: 0.7815958351267787
Energy: 0.7862522278789293
Energy: 0.7815958351262043
Energy: 0.7862522278789293
Energy: 0.7643006122885194
Energy: 0.7747572498822296
Energy: 0.7643006122885194
Energy: 0.7747572498822296
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Energy: 0.7747572498828039
Energy: 0.7776641202431944
Energy: 0.8012508960978396
Energy: 0.777664120245492
Energy: 0.8012508960978396
Energy: 0.7776641202449177
Energy: 0.8012508960978396
Energy: 0.8183569779766963
Energy: 0.7819180613622728
Energy: 0.8183569779784194
Energy: 0.7819180613622728
Energy: 0.793433588660326
Energy: 0.7819180613622728
Energy: 0.7997829950911224
Energy: 0.7838150792854119
Energy: 0.7997829950916968
Energy: 0.7838150792854119
Energy: 0.7997829950911224
Energy: 0.7838150792854119
Energy: 0.7796112627261996
Energy: 0.792238262236203
Energy: 0.7796112627261996
Energy: 0.792238262236203
Energy: 0.7796112627267741
Energy: 0.792238262236203
Energy: 0.7715925497153869
Energy: 0.7856176507066547
Energy: 0.7715925497153869
Energy: 0.7856176507060804
Energy: 0.7715925497159613
Energy: 0.7856176507060804
Energy: 0.7839052536322266
Energy: 0.8178133635905174
Energy: 0.7839052536322266
Energy: 0.8178133635905174
Energy: 0.7839052536322266
Energy: 0.8178133635905174
Energy: 0.7843484468746369
Energy: 0.7738176838759607
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Energy: 0.7738176838765352
Energy: 0.7843484468752111
Energy: 0.7738176838759607
Energy: 0.7890335569082833
Energy: 0.7678476596858235
Energy: 0.7890335569082833
Energy: 0.7678476596858235
Energy: 0.7890335569088577
Energy: 0.7678476596863979
Energy: 0.7658845705442462
Energy: 0.764674396382285
Energy: 0.7658845705442462
Energy: 0.764674396382285
Energy: 0.7658845705448206
Energy: 0.764674396382285
Energy: 0.7787433208288033
Energy: 0.8240329546582889
Energy: 0.7787433208288033
Energy: 0.8240329546582889
Energy: 0.7787433208288033
Energy: 0.8240329546582889

minimum gb energy = 0.7643006122885194 eV
minimum distance =  2.32869426604169 Angstroms
sigma value = 57


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

Energy: 0.7640526434452958
Energy: 0.7884322874729295
Energy: 0.7640526434452958
Energy: 0.7884322874729295
Energy: 0.7640526434452958
Energy: 0.7884322874729295
Energy: 0.7669912793951342
Energy: 0.7900746511126201
Energy: 0.7669912793951342
Energy: 0.7900746511126201
Energy: 0.7669912793951342
Energy: 0.7900746511136421
Energy: 0.8210695982742768
Energy: 0.7908336181436488
Energy: 0.8210695982742768
Energy: 0.790833618144671
Energy: 0.8210695982742768
Energy: 0.7908336181436488
Energy: 0.7545595891968992
Energy: 0.9174592592966055
Energy: 0.7545595891968992
Energy: 0.9174592592976277
Energy: 0.7545595891968992
Energy: 1.0240758054210062
Energy: 0.8211006924166379
Energy: 0.7906708132724631
Energy: 0.82110069241766
Energy: 0.7906708132724631
Energy: 0.8211006924166379
Energy: 0.7906708132724631
Energy: 0.7669380831249268
Energy: 0.8130771113728407
Energy: 0.7669380831259489
Energy: 0.8130771113728407
Energy: 0.7669380831249268
Energy: 0.8668893182002574
Energy: 0.7640526434452958
Energy: 0.7884322874739517
Energy: 0.7640526434452958
Energy: 0.7884322874739517
Energy: 0.7640526434452958
Energy: 0.7884322874739517
Energy: 0.7669912793951342
Energy: 0.7900746511136421
Energy: 0.766991279394112
Energy: 0.7900746511136421
Energy: 0.766991279394112
Energy: 0.7900746511136421
Energy: 0.8210695982752988
Energy: 0.790833618144671
Energy: 0.8210695982752988
Energy: 0.790833618144671
Energy: 0.8210695982763211
Energy: 0.790833618144671
Energy: 0.7545595891968992
Energy: 0.9127434151777518
Energy: 0.7545595891968992
Energy: 0.8684610838070642
Energy: 0.7545595891958772
Energy: 0.9140306656078692
Energy: 0.8211006924156158
Energy: 0.7906708132734853
Energy: 0.8211006924156158
Energy: 0.7906708132734853
Energy: 0.8211006924156158
Energy: 0.7906708132734853
Energy: 0.7669380831290155
Energy: 0.7839336303666778
Energy: 0.7669380831279933
Energy: 0.7839336303656557
Energy: 0.7669380831279933
Energy: 0.7839336303656557
Energy: 0.7640526434452958
Energy: 0.7884322874729295
Energy: 0.7640526434452958
Energy: 0.7884322874729295
Energy: 0.7640526434463178
Energy: 0.7884322874729295
Energy: 0.7669912793951342
Energy: 0.7900746511126201
Energy: 0.7669912793951342
Energy: 0.7900746511126201
Energy: 0.7669912793951342
Energy: 0.7900746511136421
Energy: 0.8210695982742768
Energy: 0.790833618144671
Energy: 0.8210695982742768
Energy: 0.7908336181436488
Energy: 0.8210695982742768
Energy: 0.7908336181436488
Energy: 0.7545595891968992
Energy: 0.9619117874290933
Energy: 0.7545595891968992
Energy: 0.7958773217669668
Energy: 0.7545595891968992
Energy: 0.7958773217669668
Energy: 0.8211006924166379
Energy: 0.7906708132724631
Energy: 0.8211006924166379
Energy: 0.7906708132724631
Energy: 0.8211006924166379
Energy: 0.7906708132724631

minimum gb energy = 0.7545595891958772 eV
minimum distance =  2.35275372792235 Angstroms
sigma value = 9


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

Energy: 0.8051236328129556
Energy: 0.7927523879493111
Energy: 0.8051236328129556
Energy: 0.7927523879493111
Energy: 0.8051236328137901
Energy: 0.7927523879493111
Energy: 0.817246581956129
Energy: 0.8005121484673663
Energy: 0.817246581956129
Energy: 0.8005121484673663
Energy: 0.817246581956129
Energy: 0.8005121484673663
Energy: 0.8306559227016973
Energy: 0.8003183449999061
Energy: 0.8306559227008626
Energy: 0.8003183449999061
Energy: 0.874371884363125
Energy: 0.8003183449999061
Energy: 0.780551421031038
Energy: 0.8736753034867094
Energy: 0.780551421031038
Energy: 0.8736753034867094
Energy: 0.7805514210318725
Energy: 0.8736753034867094
Energy: 0.8217463790126089
Energy: 0.8081938136237425
Energy: 0.8217463790117743
Energy: 0.8081938136237425
Energy: 0.8217463790117743
Energy: 0.8081938136237425
Energy: 0.838901743571297
Energy: 0.7850009085854236
Energy: 0.838901743571297
Energy: 0.7850009085854236
Energy: 0.838901743571297
Energy: 0.7850009085854236
Energy: 0.7789624884599362
Energy: 0.8505481425610125
Energy: 0.7789624884599362
Energy: 0.850548142561847
Energy: 0.7789624884599362
Energy: 0.8505481425610125
Energy: 0.8034203689711705
Energy: 0.836844648080099
Energy: 0.8034203689711705
Energy: 0.8368446480792644
Energy: 0.8034203689711705
Energy: 0.836844648080099
Energy: 0.8640105189440558
Energy: 0.8079983760279126
Energy: 0.8640105189440558
Energy: 0.8079983760279126
Energy: 0.8640105189448903
Energy: 0.8079983760279126
Energy: 0.7804663210365216
Energy: 0.8190945458270934
Energy: 0.7804663210373561
Energy: 0.8190945458279278
Energy: 0.780466321035687
Energy: 0.8190945458279278
Energy: 0.8150395266507703
Energy: 0.8170954859209623
Energy: 0.8150395266507703
Energy: 0.8170954859209623
Energy: 0.815039526651605
Energy: 0.8170954859209623
Energy: 0.8439232428853757
Energy: 0.7843525198632288
Energy: 0.8439232428862103
Energy: 0.7843525198623944
Energy: 0.8439232428862103
Energy: 0.7843525198623944
Energy: 0.7845464630392547
Energy: 0.8677301330029961
Energy: 0.7845464630400893
Energy: 0.8677301330029961
Energy: 0.7845464630392547
Energy: 0.8677301330029961
Energy: 0.8068927100628714
Energy: 0.8241761739177729
Energy: 0.8068927100628714
Energy: 0.8241761739177729
Energy: 0.8068927100628714
Energy: 0.8241761739177729
Energy: 0.8524382361682751
Energy: 0.7831210161608091
Energy: 0.8524382361682751
Energy: 0.7831210161599745
Energy: 0.8524382361674404
Energy: 0.7831210161599745
Energy: 0.807632876392728
Energy: 0.8346352396932376
Energy: 0.807632876392728
Energy: 0.8346352396940724
Energy: 0.8076328763935625
Energy: 0.8346352396932376
Energy: 0.8116480037704445
Energy: 0.8457569414817819
Energy: 0.8116480037704445
Energy: 0.8457569414817819
Energy: 0.8116480037712791
Energy: 0.8457569414817819
Energy: 0.9018700480180418
Energy: 0.7844909450805169
Energy: 0.9018700480188764
Energy: 0.7844909450813135
Energy: 0.9018700480180418
Energy: 0.7844909450813135
Energy: 0.7917983812372806
Energy: 0.8238226325798211
Energy: 0.7917983812372806
Energy: 0.8238226325789867
Energy: 0.7917983812372806
Energy: 0.8238226325789867
Energy: 0.7909099848579696
Energy: 0.7947072628946985
Energy: 0.7909099848579696
Energy: 0.7947072628946985
Energy: 0.7909099848588041
Energy: 0.7947072628946985
Energy: 0.8526913081161028
Energy: 0.789084728389065
Energy: 0.8526913081161028
Energy: 0.789084728389065
Energy: 0.8526913081144336
Energy: 0.7890847283882303

minimum gb energy = 0.7789624884599362 eV
minimum distance =  2.34699466048184 Angstroms
sigma value = 27


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

Energy: 0.8379288729513948
Energy: 0.8686201372474897
Energy: 0.8168431409918078
Energy: 0.8686201372474897
Energy: 0.8379288729520984
Energy: 0.8686201372481932
Energy: 0.8490305093698503
Energy: 0.7836067462769605
Energy: 0.8490305093677398
Energy: 0.7836067462769605
Energy: 0.8490305093698503
Energy: 0.7836067462762573
Energy: 0.8095258277999209
Energy: 0.8017875112374213
Energy: 0.8095258277985138
Energy: 0.8017875112374213
Energy: 0.8095258277999209
Energy: 0.8017875112402355
Energy: 0.7638866628714357
Energy: 0.8418297287356767
Energy: 0.7638866628714357
Energy: 0.8418297287350053
Energy: 0.7638866628721392
Energy: 0.8418297287363801
Energy: 0.7786275970168894
Energy: 0.8635606847031498
Energy: 0.7786275970204068
Energy: 0.8635606847031498
Energy: 0.778627597017593
Energy: 0.8635606847066671
Energy: 0.857829162083801
Energy: 0.8137573050298444
Energy: 0.8578291620816905
Energy: 0.8137573050298444
Energy: 0.857829162083801
Energy: 0.813757305030548
Energy: 0.7655089441936361
Energy: 0.8637116541425987
Energy: 0.7655089441929327
Energy: 0.8637116541425987
Energy: 0.7655089441936361
Energy: 0.8637116541425987
Energy: 0.8314294035811951
Energy: 0.8106378899698174
Energy: 0.8314294035811951
Energy: 0.8106378899691139
Energy: 0.8314294035811951
Energy: 0.8106378899740384
Energy: 0.8929197200240162
Energy: 0.7657139236631558
Energy: 0.8928434613248635
Energy: 0.7657139236631558
Energy: 0.8929197200233127
Energy: 0.7657139236659698
Energy: 0.8336980611728584
Energy: 0.8297134067095685
Energy: 0.8339340877702106
Energy: 0.8297134067102718
Energy: 0.8336980611728584
Energy: 0.8297134067053795
Energy: 0.836560993507109
Energy: 0.8037367157215395
Energy: 0.836771927167507
Energy: 0.8037367157222429
Energy: 0.8365609935078124
Energy: 0.8037367157180221
Energy: 0.8641520977989002
Energy: 0.7658591087139971
Energy: 0.8641520977939757
Energy: 0.7658591087139971
Energy: 0.8641520977989002
Energy: 0.765859108715404
Energy: 0.7983050856845519
Energy: 0.8259513053538396
Energy: 0.7983050856845519
Energy: 0.8259513053538396
Energy: 0.7983050856852555
Energy: 0.8259513053510258
Energy: 0.7653857462949523
Energy: 0.7919453730144992
Energy: 0.7653857462949523
Energy: 0.7919453730152026
Energy: 0.7653857462956559
Energy: 0.7919453730144992
Energy: 0.8484909650286383
Energy: 0.8147312766520882
Energy: 0.8490075248828066
Energy: 0.8147312766520882
Energy: 0.8484909650286383
Energy: 0.8147312766534951
Energy: 0.7927397607648089
Energy: 0.8541418231315543
Energy: 0.7927397607648089
Energy: 0.8541418231315543
Energy: 0.7927397607648089
Energy: 0.8541418231280369
Energy: 0.7758844736230077
Energy: 0.8081538141745981
Energy: 0.7758844736230077
Energy: 0.8081538141745981
Energy: 0.7758844736223042
Energy: 0.808153814177412
Energy: 0.8267178368497782
Energy: 0.801618982793221
Energy: 0.8267178368518886
Energy: 0.801618982793221
Energy: 0.8267178368497782
Energy: 0.8016189827897034
Energy: 0.8371838754543202
Energy: 0.7728693508454932
Energy: 0.8069197443529319
Energy: 0.7728693508454932
Energy: 0.8371838754543202
Energy: 0.7728693508476037
Energy: 0.8379288729520984
Energy: 0.8686201372503035
Energy: 0.8168431409939182
Energy: 0.8686201372496003
Energy: 0.8379288729520984
Energy: 0.8686201372517107
Energy: 0.8490305093726644
Energy: 0.7836067462755536
Energy: 0.8490305093691469
Energy: 0.7836067462755536
Energy: 0.8490305093726644
Energy: 0.7836067462734432
Energy: 0.8095258277978103
Energy: 0.801787511239532
Energy: 0.8095258277978103
Energy: 0.801787511239532
Energy: 0.8095258277985138
Energy: 0.8017875112402355
Energy: 0.7638866628700287
Energy: 0.8418297287350053
Energy: 0.7638866628707324
Energy: 0.8418297287356767
Energy: 0.7638866628700287
Energy: 0.8418297287363801
Energy: 0.7786275970182963
Energy: 0.8635606847045567
Energy: 0.778627597019
Energy: 0.8635606847045567
Energy: 0.7786275970182963
Energy: 0.8635606847073706
Energy: 0.8578291620823939
Energy: 0.8137573050298444
Energy: 0.857829162080987
Energy: 0.8137573050298444
Energy: 0.8578291620823939
Energy: 0.8137573050298444

minimum gb energy = 0.7638866628700287 eV
minimum distance =  2.31401893138426 Angstroms
sigma value = 19


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

Energy: 0.7770890484282205
Energy: 0.8058093473933714
Energy: 0.7770890484288278
Energy: 0.8058093473927641
Energy: 0.7770890484282205
Energy: 0.8058093473927641
Energy: 0.7716108763001578
Energy: 0.770023846407641
Energy: 0.7716108763001578
Energy: 0.770023846407641
Energy: 0.7716108763001578
Energy: 0.770023846407641
Energy: 0.800017047525797
Energy: 0.7401035827964351
Energy: 0.8000170475245826
Energy: 0.7401035827970424
Energy: 0.8397971467877299
Energy: 0.7401035827964351
Energy: 0.750027639353336
Energy: 0.7898083513082912
Energy: 0.750027639353336
Energy: 0.7898083513082912
Energy: 0.750027639353336
Energy: 0.7898083513076841
Energy: 0.7695852919575775
Energy: 0.7739874332815336
Energy: 0.7695852919569703
Energy: 0.7739874332815336
Energy: 0.7695852919569703
Energy: 0.7739874332815336
Energy: 0.7812554985156205
Energy: 0.7541122443611713
Energy: 0.7812554985156205
Energy: 0.7541122443611713
Energy: 0.7812554985150132
Energy: 0.7541122443611713
Energy: 0.7500267640179651
Energy: 0.7877348199482581
Energy: 0.7500267640173578
Energy: 0.7877348199482581
Energy: 0.7500267640179651
Energy: 0.7877348199482581
Energy: 0.7668246985718188
Energy: 0.796397348674619
Energy: 0.7668246985712115
Energy: 0.796397348674619
Energy: 0.7668246985718188
Energy: 0.796397348674619
Energy: 0.8153731986833322
Energy: 0.7443729392877282
Energy: 0.8153731986821178
Energy: 0.7443729392877282
Energy: 0.8153731986833322
Energy: 0.7443729392877282
Energy: 0.7679206041327303
Energy: 0.7659170551928769
Energy: 0.7679206041327303
Energy: 0.7659170551928769
Energy: 0.7679206041327303
Energy: 0.7659170551928769
Energy: 0.7471612277573956
Energy: 0.8116225481994723
Energy: 0.7471612277580029
Energy: 0.8116225481994723
Energy: 0.7471612277580029
Energy: 0.8116225481994723
Energy: 0.7781441703953035
Energy: 0.7444296671382103
Energy: 0.7781441703953035
Energy: 0.7444296671388176
Energy: 0.7781441703946962
Energy: 0.7444296671382103
Energy: 0.7533146979887263
Energy: 0.7535541304923171
Energy: 0.7533146979887263
Energy: 0.7535541304923171
Energy: 0.7533146979893337
Energy: 0.7535541304923171
Energy: 0.7476204326343611
Energy: 0.7907544121162479
Energy: 0.7476204326343611
Energy: 0.7907544121162479
Energy: 0.7476204326343611
Energy: 0.7907544121162479
Energy: 0.7832823138942346
Energy: 0.7484890701442675
Energy: 0.783282313894842
Energy: 0.7484890701442675
Energy: 0.783282313894842
Energy: 0.7484890701442675
Energy: 0.8127704039516752
Energy: 0.7398045236597586
Energy: 0.8127704039522824
Energy: 0.7398045236597586
Energy: 0.8127704039510678
Energy: 0.7398045236597586
Energy: 0.7499744803875095
Energy: 0.7876214066116011
Energy: 0.7499744803869022
Energy: 0.7876214066116011
Energy: 0.7499744803862949
Energy: 0.7876214066116011
Energy: 0.7774469841242897
Energy: 0.7871553393100952
Energy: 0.777446984124897
Energy: 0.7871553393100952
Energy: 0.777446984124897
Energy: 0.7871553393100952
Energy: 0.797706256875928
Energy: 0.7545077743419552
Energy: 0.797706256875928
Energy: 0.7545077743419552
Energy: 0.7977062568765354
Energy: 0.7545077743419552
Energy: 0.7507234250027909
Energy: 0.7842140100021969
Energy: 0.7507234250033982
Energy: 0.7842140100021969
Energy: 0.7507234250027909
Energy: 0.7842140100021969
Energy: 0.7430542442260936
Energy: 0.800146707097961
Energy: 0.7430542442260936
Energy: 0.800146707097961
Energy: 0.7430542442260936
Energy: 0.800146707097961
Energy: 0.8245071049561337
Energy: 0.7403632013704101
Energy: 0.8245071049561337
Energy: 0.7403632013698028
Energy: 0.8245071049567407
Energy: 0.7403632013698028
Energy: 0.7792016457641084
Energy: 0.760005415555332
Energy: 0.7792016457635013
Energy: 0.7600054155547248
Energy: 0.7792016457641084
Energy: 0.760005415555332
Energy: 0.7784124548369903
Energy: 0.8080064274069753
Energy: 0.778412454836383
Energy: 0.8080064274063679
Energy: 0.7784124548369903
Energy: 0.8080064274069753
Energy: 0.8038591535877503
Energy: 0.7462842237624177
Energy: 0.8038591535877503
Energy: 0.7462842237624177
Energy: 0.8038591535883575
Energy: 0.7462842237624177
Energy: 0.7648860938981168
Energy: 0.7553546011430958
Energy: 0.7648860938981168
Energy: 0.7553546011430958
Energy: 0.7648860938975095
Energy: 0.7553546011430958
Energy: 0.7435983186436717
Energy: 0.8092061761281414
Energy: 0.7435983186442789
Energy: 0.8092061761281414
Energy: 0.7435983186442789
Energy: 0.8092061761281414
Energy: 0.7808997262843539
Energy: 0.759306262525503
Energy: 0.7808997262843539
Energy: 0.7593062625248956
Energy: 0.7808997262843539
Energy: 0.759306262525503
Energy: 0.7996886402551894
Energy: 0.753843368839694
Energy: 0.7996886402557967
Energy: 0.753843368839694
Energy: 0.7996886402551894
Energy: 0.753843368839694

minimum gb energy = 0.7398045236597586 eV
minimum distance =  2.31958599412174 Angstroms
sigma value = 101


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

Energy: 0.7548338710695006
Energy: 0.7676710989398657
Energy: 0.7548338710689667
Energy: 0.7676710989398657
Energy: 0.7548338710705682
Energy: 0.7676710989398657
Energy: 0.7602791357684529
Energy: 0.7450340401444102
Energy: 0.7602791357684529
Energy: 0.7450340401438764
Energy: 0.7602791357684529
Energy: 0.7569585231664673
Energy: 0.7534545847609093
Energy: 0.7100752367295609
Energy: 0.7534545847609093
Energy: 0.7100752367295609
Energy: 0.7534545847609093
Energy: 0.7100752367295609
Energy: 0.7057259641734427
Energy: 0.7725509356745921
Energy: 0.7057259641734427
Energy: 0.7725509356745921
Energy: 0.7057259641739765
Energy: 0.8342496578801161
Energy: 0.736480855797541
Energy: 0.7281476279488484
Energy: 0.736480855797541
Energy: 0.7281476279488484
Energy: 0.736480855797541
Energy: 0.7281476279488484
Energy: 0.7575408094344516
Energy: 0.7102976050309525
Energy: 0.7575408094339178
Energy: 0.7102976050309525
Energy: 0.7575408094333839
Energy: 0.7102976050309525
Energy: 0.7218928877439024
Energy: 0.7615075141515851
Energy: 0.7218928877433685
Energy: 0.7615075141521189
Energy: 0.7218928877433685
Energy: 0.7615075141515851
Energy: 0.7097518258658159
Energy: 0.7562357254297523
Energy: 0.7097518258652821
Energy: 0.7562357254297523
Energy: 0.7097518258658159
Energy: 0.8397380509584664
Energy: 0.7573508712185768
Energy: 0.7060430679569635
Energy: 0.7573508712185768
Energy: 0.7060430679569635
Energy: 0.7573508712185768
Energy: 0.7060430679574974
Energy: 0.7377967303170204
Energy: 0.7622034841268057
Energy: 0.7377967303175543
Energy: 0.7622034841268057
Energy: 0.7377967303170204
Energy: 0.8396683960900854
Energy: 0.7105877984107497
Energy: 0.8427964947357914
Energy: 0.7105877984112835
Energy: 0.8427964947352576
Energy: 0.7105877984107497
Energy: 0.8427964947357914
Energy: 0.770402506062137
Energy: 0.7442804198239182
Energy: 0.7704025060616032
Energy: 0.744280419824452
Energy: 0.770402506062137
Energy: 0.7487484023644612
Energy: 0.7511950804942833
Energy: 0.7100800711199136
Energy: 0.7511950804937495
Energy: 0.7100800711199136
Energy: 0.7511950804937495
Energy: 0.7100800711199136
Energy: 0.7403299175891872
Energy: 0.7784225182124725
Energy: 0.7403299175897209
Energy: 0.7784225182124725
Energy: 0.7403299175891872
Energy: 0.8016889822142836
Energy: 0.7582198897960551
Energy: 0.72484995399873
Energy: 0.7582198897955214
Energy: 0.7248499539992638
Energy: 0.7582198897955214
Energy: 0.7248499539992638
Energy: 0.7533528001258365
Energy: 0.7095010555606157
Energy: 0.7533528001263703
Energy: 0.7095010555606157
Energy: 0.7533528001258365
Energy: 0.7095010555606157
Energy: 0.7086800991337017
Energy: 0.7713482107947226
Energy: 0.7086800991342354
Energy: 0.7713482107947226
Energy: 0.7086800991342354
Energy: 0.7713482107941889
Energy: 0.7097776805640678
Energy: 0.7272146698494337
Energy: 0.7097776805646016
Energy: 0.7272146698494337
Energy: 0.7097776805640678
Energy: 0.7272146698488998
Energy: 0.7580898989584787
Energy: 0.7061053905826516
Energy: 0.7580898989579449
Energy: 0.7061053905826516
Energy: 0.758089898957411
Energy: 0.7061053905826516
Energy: 0.7353814864447697
Energy: 0.7609991683616855
Energy: 0.7353814864437022
Energy: 0.7609991683616855
Energy: 0.735381486444236
Energy: 0.7609991683616855
Energy: 0.7094735721246094
Energy: 0.8463503331349764
Energy: 0.7094735721246094
Energy: 0.8463503331349764
Energy: 0.7094735721246094
Energy: 0.8463503331349764
Energy: 0.7647509620518814
Energy: 0.7083742256813227
Energy: 0.7647509620524153
Energy: 0.7083742256813227
Energy: 0.7647509620524153
Energy: 0.7083742256813227
Energy: 0.7771988351547546
Energy: 0.7094396908586148
Energy: 0.7771988351542208
Energy: 0.7094396908586148
Energy: 0.7771988351542208
Energy: 0.709439690858081
Energy: 0.7056326197742656
Energy: 0.784844484441011
Energy: 0.7056326197737318
Energy: 0.784844484441011
Energy: 0.7056326197742656
Energy: 0.784844484441011
Energy: 0.766916315571864
Energy: 0.7218747623654357
Energy: 0.766916315571864
Energy: 0.7218747623654357
Energy: 0.766916315571864
Energy: 0.7218747623654357
Energy: 0.7491999934685719
Energy: 0.709496727747847
Energy: 0.7491999934691057
Energy: 0.7094967277483809
Energy: 0.7491999934696395
Energy: 0.709496727747847
Energy: 0.740273078535823
Energy: 0.7691570272555033
Energy: 0.7402730785347554
Energy: 0.769157027256037
Energy: 0.7402730785352892
Energy: 0.769157027256037
Energy: 0.7402702266991585
Energy: 0.7261268391884582
Energy: 0.7402702266991585
Energy: 0.7261268391884582
Energy: 0.7402702266991585
Energy: 0.7261268391879245
Energy: 0.7850747444150039
Energy: 0.706395511449628
Energy: 0.7850747444150039
Energy: 0.7063955114490942
Energy: 0.7850747444155376
Energy: 0.7063955114373506
Energy: 0.7094586809923709
Energy: 0.7699014853237641
Energy: 0.7094586809923709
Energy: 0.7699014853237641
Energy: 0.7094586809929048
Energy: 0.7699014853242978
Energy: 0.7090112450661856
Energy: 0.7613761814082487
Energy: 0.7090112450667193
Energy: 0.7613761814082487
Energy: 0.7090112450661856
Energy: 0.7613761814082487
Energy: 0.7737480188971922
Energy: 0.7089766277030972
Energy: 0.7737480188966583
Energy: 0.7089766277030972
Energy: 0.7737480188966583
Energy: 0.7089766277025633
Energy: 0.7642279700100694
Energy: 0.709055909506766
Energy: 0.7642279700095355
Energy: 0.709055909506766
Energy: 0.7642279700095355
Energy: 0.709055909506766

minimum gb energy = 0.7056326197737318 eV
minimum distance =  2.32532591974531 Angstroms
sigma value = 33


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

Energy: 0.015605407412543867
Energy: 0.5818191793357546
Energy: 0.015605407412543867
Energy: 0.581819179336198
Energy: 0.015605407412543867
Energy: 0.581819179336198
Energy: 0.0170495524589107
Energy: 0.21548300111374305
Energy: 0.0170495524589107
Energy: 0.21548300111374305
Energy: 0.017049552459329577
Energy: 0.21548300111374305
Energy: 0.855977191298833
Energy: 0.21555598183563424
Energy: 0.8559771912992765
Energy: 0.21555598183174116
Energy: 1.42577230547245
Energy: 0.21555598186207292
Energy: 0.017049552459773094
Energy: 0.21548300111504895
Energy: 0.017049552460216614
Energy: 0.2154830011146054
Energy: 0.017049552460216614
Energy: 0.2154830011146054

minimum gb energy = 0.015605407412543867 eV
minimum distance =  2.5457593034423 Angstroms
sigma value = 1