Model name: model_name=Sim_LAMMPS_ReaxFF_AryanpourVanDuinKubicki_2010_FeHO__SM_222964216001_001
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.836713165044785
cohesive_energy=4.485771163676649
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -1.72571630673144e-17 eV

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

Energy: 0.014079597892071805
Energy: 0.01457884737391155
Energy: 0.7962291309509003
Energy: 0.014577724342511532
Energy: 0.014079597892071805
Energy: 0.014575787649810656
Energy: 0.014577961188404808
Energy: 3.958856747828534
Energy: 0.014574566679033051
Energy: 3.498472402691291
Energy: 0.014578562675293796
Energy: 3.4984724056664196
Energy: 0.7962291309439399
Energy: 0.014574451097552635
Energy: 0.014079597891590799
Energy: 0.01457544230503733
Energy: 0.7962291309504194
Energy: 0.014574514641650074
Energy: 0.014575521915380378
Energy: 3.498472402343863
Energy: 0.0145742407439427
Energy: 3.4984724217092373
Energy: 0.014574976764531046
Energy: 3.9546842464227914
Energy: 0.014079597892071805
Energy: 0.014576845545269673
Energy: 0.7962291309379698
Energy: 0.014574989379792234
Energy: 0.014079597891590799
Energy: 0.014575647344560764
Energy: 0.014577096659977808
Energy: 3.4984724056639296
Energy: 0.014574787076451517
Energy: 3.9546842464367407
Energy: 0.014575012366369761
Energy: 3.498472421536529

minimum gb energy = 0.014079597891590799 eV
minimum distance =  2.05371155929275 Angstroms
sigma value = 1


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

Energy: 2.279236694546484
Energy: 1.7633560828863097
Energy: 1.650086631518203
Energy: 1.7633560828850836
Energy: 2.279236694546484
Energy: 1.7633560828863097
Energy: 1.74958808408101
Energy: 1.6896905883890465
Energy: 1.742842171377657
Energy: 1.6896905883878204
Energy: 1.74958808408101
Energy: 1.6896905883890465
Energy: 1.7270336299916427
Energy: 1.6889956286614956
Energy: 1.9245389672643443
Energy: 1.6889956286614956
Energy: 1.7270336299928688
Energy: 1.6889956286614956
Energy: 1.722333066601288
Energy: 1.688003761941165
Energy: 1.632480413723304
Energy: 1.688003761939939
Energy: 1.722333066601288
Energy: 1.688003761939939
Energy: 1.7218619067550378
Energy: 1.721609518376002
Energy: 1.8012806602712537
Energy: 1.721609518376002
Energy: 1.7218619067562637
Energy: 1.721609518376002
Energy: 1.7442255376844582
Energy: 1.691735094436904
Energy: 1.727109578890663
Energy: 1.691735094436904
Energy: 1.744225537685684
Energy: 1.691735094436904
Energy: 1.7440101432785686
Energy: 1.6904713053652036
Energy: 1.7285569915561263
Energy: 1.6904713053652036
Energy: 1.7440101432797945
Energy: 1.6904713053639777
Energy: 1.7264783999490414
Energy: 1.7215178956132842
Energy: 1.6336894623050318
Energy: 1.7215178956132842
Energy: 1.7264783999478155
Energy: 1.7215178956132842
Energy: 1.736477223573493
Energy: 1.6555505605955596
Energy: 1.6320304668826187
Energy: 1.6555505605967855
Energy: 1.7364772235747192
Energy: 1.6555505605955596
Energy: 1.9260280503606955
Energy: 1.6894731626223978
Energy: 1.7319977981560584
Energy: 1.6894731626223978
Energy: 1.9260280503606955
Energy: 1.6894731626223978
Energy: 1.6674394914196105
Energy: 1.70274383218607
Energy: 1.632405727864268
Energy: 1.70274383218607
Energy: 1.6674394914183843
Energy: 1.7027438321872959
Energy: 1.7383009562671268
Energy: 1.7208509352948336
Energy: 1.7382615953729574
Energy: 1.7208509352936074
Energy: 1.7383009562671268
Energy: 1.7208509352936074
Energy: 1.6319526069070922
Energy: 1.684471131159148
Energy: 1.7289598093121508
Energy: 1.684471131159148
Energy: 1.6319526069070922
Energy: 1.684471131159148
Energy: 1.7366615767690325
Energy: 1.6897430291870932
Energy: 1.9258881378017105
Energy: 1.6897430291883193
Energy: 1.7366615767690325
Energy: 1.6897430291870932
Energy: 1.7589312013014453
Energy: 1.6774021876171612
Energy: 1.7365190669392259
Energy: 1.6774021876159353
Energy: 1.7589312013014453
Energy: 1.6774021876159353
Energy: 1.7366618441484198
Energy: 1.7615452328832961
Energy: 1.7268752995109387
Energy: 1.7615452328832961
Energy: 1.7366618441496458
Energy: 1.761545232884522
Energy: 1.728538300242312
Energy: 1.6906451471736246
Energy: 1.7440040160664378
Energy: 1.6906451471736246
Energy: 1.728538300242312
Energy: 1.6906451471736246
Energy: 1.7268227156631004
Energy: 1.6916282652215273
Energy: 1.7443401623224328
Energy: 1.6916282652215273
Energy: 1.7268227156618743
Energy: 1.6916282652227532
Energy: 1.7655163407179033
Energy: 1.7212685568033708
Energy: 1.721723696443296
Energy: 1.7212685568021446
Energy: 1.7655163407166772
Energy: 1.7212685568033708
Energy: 1.6325486259184732
Energy: 1.6878299117301656
Energy: 1.7222443566295063
Energy: 1.6878299117301656
Energy: 1.6325486259184732
Energy: 1.6878299117289397
Energy: 1.9245908008342136
Energy: 1.6891584190678357
Energy: 1.7268837153532284
Energy: 1.6891584190666098
Energy: 1.9245908008342136
Energy: 1.6891584190666098
Energy: 1.744013117860417
Energy: 1.6896014909415853
Energy: 1.6326913298421737
Energy: 1.6896014909415853
Energy: 1.744013117860417
Energy: 1.6896014909403594
Energy: 1.738325151483881
Energy: 1.7208235240381353
Energy: 2.0456234120455337
Energy: 1.7208235240381353
Energy: 1.738325151483881
Energy: 1.7208235240381353

minimum gb energy = 1.6319526069070922 eV
minimum distance =  2.12182087645837 Angstroms
sigma value = 33


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

Energy: 1.9581343941739344
Energy: 1.8578608119929474
Energy: 1.7787709143943886
Energy: 1.8578608119922497
Energy: 1.9581343941739344
Energy: 1.8578608119929474
Energy: 1.91491884602897
Energy: 1.7637280612575015
Energy: 1.9288900419081216
Energy: 1.7637280612581987
Energy: 1.9149188460296669
Energy: 1.7637280612568043
Energy: 1.7706069992713156
Energy: 1.8370644541804986
Energy: 1.95150747978846
Energy: 1.8370644541804986
Energy: 1.7706069992720133
Energy: 1.8370644541804986
Energy: 1.9406284489485481
Energy: 1.7592017104537412
Energy: 1.9299203905463158
Energy: 1.7592017104537412
Energy: 1.9406284489492454
Energy: 1.7592017104530437
Energy: 1.9384181429696092
Energy: 1.7846774861996653
Energy: 1.9385025920040853
Energy: 1.784677486198968
Energy: 1.9384181429696092
Energy: 1.7846774861996653
Energy: 1.9500646916985696
Energy: 1.7987960220124035
Energy: 1.774688687212714
Energy: 1.798796022011706
Energy: 1.9500646916985696
Energy: 1.798796022011706
Energy: 1.8858508062239587
Energy: 1.797669465052516
Energy: 1.888419301586108
Energy: 1.797669465052516
Energy: 1.8858508062239587
Energy: 1.7976694650532135
Energy: 1.7696409536227447
Energy: 1.7968653737506888
Energy: 1.9466632938092359
Energy: 1.7968653737506888
Energy: 1.769640953623442
Energy: 1.7968653737506888
Energy: 1.9004243984417406
Energy: 1.759934629728926
Energy: 1.8853193211757053
Energy: 1.7599346297296237
Energy: 1.9004243984417406
Energy: 1.759934629728926
Energy: 1.999839173935955
Energy: 1.837255413453018
Energy: 1.9357747743383513
Energy: 1.8372554134537156
Energy: 1.9998391739352575
Energy: 1.837255413453018
Energy: 1.837275589511555
Energy: 1.8731114920004648
Energy: 1.9084382418802504
Energy: 1.8731114920004648
Energy: 1.837275589511555
Energy: 1.8731114920004648
Energy: 1.9514977748689197
Energy: 1.801295473772655
Energy: 1.8696262715886658
Energy: 1.801295473772655
Energy: 1.9514977748668279
Energy: 1.801295473772655
Energy: 1.8646539283661507
Energy: 1.777416208302695
Energy: 1.836103215098737
Energy: 1.777416208302695
Energy: 1.864653928364756
Energy: 1.7774162083033922
Energy: 1.8594455069613127
Energy: 1.8359600651943901
Energy: 1.9623820028323635
Energy: 1.8359600651950878
Energy: 1.8594455069606153
Energy: 1.8359600651943901
Energy: 1.9515279459470818
Energy: 1.7999131075882011
Energy: 1.9229618672626307
Energy: 1.7999131075882011
Energy: 1.9515279459470818
Energy: 1.7999131075882011
Energy: 1.9516812072212781
Energy: 1.8002473560502266
Energy: 1.9090196057984716
Energy: 1.8002473560495296
Energy: 1.951681207220581
Energy: 1.8002473560495296
Energy: 1.9289274403201355
Energy: 1.7906606097801645
Energy: 1.9566134076610404
Energy: 1.7906606097801645
Energy: 1.9289274403201355
Energy: 1.7906606097801645
Energy: 1.928906217524448
Energy: 1.7636930401211337
Energy: 1.923422482170736
Energy: 1.7636930401211337
Energy: 1.9289062175237506
Energy: 1.7636930401211337
Energy: 1.774097414831157
Energy: 1.796719988514903
Energy: 1.925797700340004
Energy: 1.7967199885156004
Energy: 1.774097414831157
Energy: 1.7967199885156004
Energy: 1.797004188178982
Energy: 1.7712705150841082
Energy: 1.885209953019994
Energy: 1.7712705150834107
Energy: 1.797004188178982
Energy: 1.7712705150834107
Energy: 2.1628348299264544
Energy: 1.8574931865946054
Energy: 1.8072885492259196
Energy: 1.8574931865946054
Energy: 2.1628348299264544
Energy: 1.8574931865946054
Energy: 1.800791802967276
Energy: 1.7538240410348784
Energy: 1.9305522994247124
Energy: 1.7538240410348784
Energy: 1.8007918029665788
Energy: 1.7538240410348784
Energy: 1.995012988428499
Energy: 1.7857061254887654
Energy: 1.9201231478119904
Energy: 1.7857061254887654
Energy: 1.995012988428499
Energy: 1.7857061254887654
Energy: 1.9084736695052797
Energy: 1.7613191427273662
Energy: 1.864097410988723
Energy: 1.7613191427273662
Energy: 1.9084736695066744
Energy: 1.7613191427273662
Energy: 1.931168045037478
Energy: 1.8032963847820906
Energy: 1.9516248967650465
Energy: 1.8032963847820906
Energy: 1.931168045038175
Energy: 1.8032963847820906
Energy: 1.9906606174223174
Energy: 1.8536706004987493
Energy: 1.739079207129996
Energy: 1.8536706004987493
Energy: 1.9906606174223174
Energy: 1.8536706004994465
Energy: 1.9240805685694096
Energy: 1.8534352105334775
Energy: 1.7776988251618395
Energy: 1.8534352105334775
Energy: 1.924080568568712
Energy: 1.8534352105334775
Energy: 1.9341675140766184
Energy: 1.803605313448865
Energy: 1.9515052856360295
Energy: 1.803605313448865
Energy: 1.9341675140766184
Energy: 1.803605313448865
Energy: 1.9084632897783809
Energy: 1.7613909454214696
Energy: 1.8640107411802793
Energy: 1.7613909454221672
Energy: 1.9084632897783809
Energy: 1.7613909454221672
Energy: 1.995048317676978
Energy: 1.7857888505296073
Energy: 1.9288999402769849
Energy: 1.7857888505296073
Energy: 1.995048317676978
Energy: 1.7857888505296073
Energy: 1.8387271512055863
Energy: 1.7538240410334835
Energy: 1.9309239951287822
Energy: 1.7538240410327863
Energy: 1.8387271512048888
Energy: 1.7538240410327863
Energy: 2.1632748744208428
Energy: 1.8575529944762874
Energy: 1.7837982803842216
Energy: 1.8575529944762874
Energy: 2.1632748744208428
Energy: 1.8575529944762874
Energy: 1.8642572500049435
Energy: 1.7711973867849407
Energy: 1.952591398922529
Energy: 1.7711973867849407
Energy: 1.8642572500049435
Energy: 1.7711973867849407
Energy: 1.7740959231306779
Energy: 1.7967476102264364
Energy: 1.9700879549127117
Energy: 1.7967476102257391
Energy: 1.7740959231313749
Energy: 1.7967476102264364
Energy: 1.9289279496001674
Energy: 1.7635576536785502
Energy: 1.9141736741673498
Energy: 1.7635576536785502
Energy: 1.9289279496001674
Energy: 1.7635576536785502
Energy: 1.9290067518792353
Energy: 1.786206026982698
Energy: 1.957367160334538
Energy: 1.786206026982698
Energy: 1.9290067518785377
Energy: 1.786206026982698
Energy: 1.951449362714109
Energy: 1.8002089421882002
Energy: 1.9291049531698437
Energy: 1.8002089421882002
Energy: 1.9514493627148062
Energy: 1.8002089421875025
Energy: 1.9515399354086023
Energy: 1.8000725663001134
Energy: 1.9231764260368098
Energy: 1.8000725663001134
Energy: 1.9515399354093
Energy: 1.8000725662994161
Energy: 1.8711074473927112
Energy: 1.8361343689207097
Energy: 1.9625212472850528
Energy: 1.8361343689207097
Energy: 1.8711074473927112
Energy: 1.8361343689207097
Energy: 1.9260295459828438
Energy: 1.777549383390086
Energy: 1.8361230092422025
Energy: 1.7775493833886913
Energy: 1.9260295459821466
Energy: 1.777549383390086
Energy: 2.144260142522948
Energy: 1.8011636274330896
Energy: 1.9293055629070555
Energy: 1.8011636274330896
Energy: 2.144260142522948
Energy: 1.8011636274330896

minimum gb energy = 1.739079207129996 eV
minimum distance =  2.08151055774209 Angstroms
sigma value = 51


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

Energy: 2.2194635611487836
Energy: 1.9970296394608156
Energy: 1.800094302108182
Energy: 1.9970296394608156
Energy: 2.2194635611487836
Energy: 1.9970296394608156
Energy: 1.9351723218253305
Energy: 1.8477881970519616
Energy: 2.09265943780504
Energy: 1.8477881970519616
Energy: 1.9351723218253305
Energy: 1.8477881970519616
Energy: 1.9169732123747614
Energy: 1.9003423885360258
Energy: 2.092595017241712
Energy: 1.9003423885360258
Energy: 1.9169732123747614
Energy: 1.9003423885360258
Energy: 1.9259219616296062
Energy: 1.8472916885283737
Energy: 2.092900138759143
Energy: 1.8472916885283737
Energy: 1.9259219616296062
Energy: 1.8472916885283737
Energy: 1.914777818546937
Energy: 1.8488090455506088
Energy: 2.007981104017813
Energy: 1.8488090455506088
Energy: 1.914777818546937
Energy: 1.8488090455506088
Energy: 2.288101723509036
Energy: 1.781007119631145
Energy: 2.1251720735449706
Energy: 1.781007119631145
Energy: 2.288101723509036
Energy: 1.781007119631145
Energy: 2.2876271426198365
Energy: 1.7830210544630685
Energy: 2.0927626591359707
Energy: 1.7830210544614529
Energy: 2.2876271426198365
Energy: 1.7830210544630685
Energy: 1.9157401216227405
Energy: 1.8479147011964137
Energy: 1.939543882632
Energy: 1.8479147011964137
Energy: 1.9157401216227405
Energy: 1.8479147011964137
Energy: 2.2880928603295563
Energy: 1.892829187966398
Energy: 1.8189055345039375
Energy: 1.892829187966398
Energy: 2.2880928603311723
Energy: 1.892829187966398
Energy: 1.9170517726967766
Energy: 1.9010293635079982
Energy: 1.9395513720297177
Energy: 1.9010293635063826
Energy: 1.9170517726967766
Energy: 1.9010293635079982
Energy: 2.160445983024939
Energy: 1.8429662851920652
Energy: 2.0929766962866765
Energy: 1.8429662851920652
Energy: 2.160445983024939
Energy: 1.8429662851920652
Energy: 2.1600458285611333
Energy: 1.9970363151376884
Energy: 2.1309468199781323
Energy: 1.9970363151376884
Energy: 2.1600458285595177
Energy: 1.9970363151376884
Energy: 2.0043453998308625
Energy: 1.847701080960768
Energy: 2.0925419602211472
Energy: 1.847701080960768
Energy: 2.0043453998308625
Energy: 1.847701080960768
Energy: 1.9169669037708343
Energy: 1.9007767717191482
Energy: 2.0924346469338553
Energy: 1.9007767717191482
Energy: 1.9169669037708343
Energy: 1.9007767717191482
Energy: 1.9162978326389994
Energy: 1.9026732324118518
Energy: 2.0923950203575474
Energy: 1.9026732324118518
Energy: 1.916297832640615
Energy: 1.9026732324118518
Energy: 1.915211915948786
Energy: 1.848835956655887
Energy: 2.0923450906523517
Energy: 1.8488359566542714
Energy: 1.915211915948786
Energy: 1.848835956655887
Energy: 2.2879463604990264
Energy: 1.9029209295875005
Energy: 2.125584116177234
Energy: 1.9029209295875005
Energy: 2.2879463604990264
Energy: 1.9029209295875005
Energy: 2.289071606193549
Energy: 1.7820139728734967
Energy: 2.0923174981841752
Energy: 1.7820139728718811
Energy: 2.289071606193549
Energy: 1.7820139728734967

minimum gb energy = 1.781007119631145 eV
minimum distance =  2.05635788895783 Angstroms
sigma value = 19


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

Energy: 2.496923604048769
Energy: 1.9576210590613183
Energy: 1.9364456206445881
Energy: 1.9576210590613183
Energy: 2.496923604047811
Energy: 1.9576210590613183
Energy: 1.912173363072399
Energy: 1.8839009534089661
Energy: 1.9121197905759393
Energy: 1.8839009534089661
Energy: 1.912173363072399
Energy: 1.8839009534070492
Energy: 1.864006472056143
Energy: 1.9497403448013837
Energy: 1.8907467287030795
Energy: 1.9497403448013837
Energy: 1.864006472056143
Energy: 1.9497403448013837
Energy: 1.9447356165215866
Energy: 1.8854726317354447
Energy: 1.9120153597981573
Energy: 1.8854726317344863
Energy: 1.9447356165215866
Energy: 1.8854726317354447
Energy: 1.875191867007949
Energy: 1.9506534327267528
Energy: 2.0427567297317566
Energy: 1.9506534327267528
Energy: 1.8751918670069905
Energy: 1.9506534327267528
Energy: 2.0427498791784977
Energy: 1.9507952778186777
Energy: 1.8753559846184815
Energy: 1.9507952778186777
Energy: 2.0427498791784977
Energy: 1.9507952778186777
Energy: 1.9119711747291301
Energy: 1.8852988260155605
Energy: 1.9545416705871241
Energy: 1.8852988260155605
Energy: 1.9119711747291301
Energy: 1.8852988260155605
Energy: 1.9129171513305805
Energy: 1.9497356331015314
Energy: 1.8640144591561243
Energy: 1.9497356331015314
Energy: 1.9129170474380757
Energy: 1.9497356331015314
Energy: 1.9121679696796614
Energy: 1.8838302751733051
Energy: 1.8901858949015542
Energy: 1.8838302751713885
Energy: 1.9121679696796614
Energy: 1.88383027517043
Energy: 1.940602794203647
Energy: 1.9576210590613183
Energy: 2.496923604048769
Energy: 1.9576210590613183
Energy: 1.9406027942046054
Energy: 1.9576210590613183
Energy: 1.9121197905768976
Energy: 1.8839009534089661
Energy: 1.8902299634064512
Energy: 1.8839009534099243
Energy: 1.9121197905759393
Energy: 1.8839009534060907
Energy: 1.8907467248607936
Energy: 1.9497403448013837
Energy: 1.8640064720571015
Energy: 1.9497403448013837
Energy: 1.8907467216219953
Energy: 1.9497403448013837
Energy: 1.9120153597962621
Energy: 1.8854726317354447
Energy: 1.944735616520628
Energy: 1.8854726317354447
Energy: 1.9120153597981573
Energy: 1.8854726317354447
Energy: 2.0320617255872726
Energy: 1.9506534327267528
Energy: 1.875191867007949
Energy: 1.9506534327267528
Energy: 2.0320617255891893
Energy: 1.9506534327267528
Energy: 1.8753559846175232
Energy: 1.9507952778186777
Energy: 1.9119062279642238
Energy: 1.9507952778186777
Energy: 1.8753559846184815
Energy: 1.9507952778186777
Energy: 1.8751311532858357
Energy: 1.8852988260155605
Energy: 1.9119711747281718
Energy: 1.8852988260155605
Energy: 1.8751311532839188
Energy: 1.8852988260155605
Energy: 1.8640144591551662
Energy: 1.9497356331015314
Energy: 1.912917043448267
Energy: 1.9497356331015314
Energy: 1.8640144591561243
Energy: 1.9497356331015314
Energy: 1.8901858949015542
Energy: 1.8838302751733051
Energy: 1.9121679696796614
Energy: 1.8838302751723468
Energy: 1.8901858949015542
Energy: 1.8838302751723468
Energy: 2.496923604047811
Energy: 1.9576210590613183
Energy: 1.9406027942026884
Energy: 1.9576210590613183
Energy: 2.496923604048769
Energy: 1.9576210590613183
Energy: 1.8902299634055144
Energy: 1.8839009534089661
Energy: 1.9121197905759393
Energy: 1.8839009534070492
Energy: 1.8902299634064512
Energy: 1.8839009534070492
Energy: 1.864006472056143
Energy: 1.9497403448013837
Energy: 1.8907467211688842
Energy: 1.9497403448013837
Energy: 1.864006472056143
Energy: 1.9497403448013837
Energy: 1.944735616522545
Energy: 1.8854726317354447
Energy: 1.9120153597962621
Energy: 1.8854726317354447
Energy: 1.944735616520628
Energy: 1.8854726317354447
Energy: 1.8751918670069905
Energy: 1.9506534327267528
Energy: 2.0320617255891893
Energy: 1.9506534327267528
Energy: 1.8751918670069905
Energy: 1.9506534327267528
Energy: 1.9119062279632655
Energy: 1.9507952778186777
Energy: 1.8753559846184815
Energy: 1.9507952778186777
Energy: 1.9119062279651824
Energy: 1.9507952778186777
Energy: 1.9119711747291301
Energy: 1.8852988260146022
Energy: 1.8751311532848771
Energy: 1.8852988260146022
Energy: 1.9119711747291301
Energy: 1.8852988260146022
Energy: 1.9129170860929012
Energy: 1.9497356331015314
Energy: 1.8640144591551662
Energy: 1.9497356331015314
Energy: 1.9129169971117017
Energy: 1.9497356331015314
Energy: 1.9121679696796614
Energy: 1.8838302751723468
Energy: 1.8901858949015542
Energy: 1.8838302751733051
Energy: 1.9121679696796614
Energy: 1.8838302751723468
Energy: 1.9173359308297575
Energy: 1.9576210590536516
Energy: 2.496923604048769
Energy: 1.9576210590555683
Energy: 1.917335930827841
Energy: 1.9576210590613183
Energy: 1.9121197905759393
Energy: 1.8839009534089661
Energy: 1.8902299634074093
Energy: 1.8839009534089661
Energy: 1.9121197905768976
Energy: 1.8839009534089661
Energy: 1.8907467264969424
Energy: 1.9497403448013837
Energy: 1.864006472056143
Energy: 1.9497403448013837
Energy: 1.8907467255821164
Energy: 1.9497403448013837

minimum gb energy = 1.864006472056143 eV
minimum distance =  2.05195300083527 Angstroms
sigma value = 27


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

Energy: 1.8966068188812861
Energy: 1.7903614217275008
Energy: 2.021250102952899
Energy: 1.7903614217275008
Energy: 1.8966068188819798
Energy: 1.7903614217272605
Energy: 1.859788130013215
Energy: 1.8581150729620122
Energy: 1.8666010666328745
Energy: 1.858115072963186
Energy: 1.859788130013455
Energy: 1.8581150729615319
Energy: 1.8662474816697445
Energy: 1.9999015614478861
Energy: 1.9094415837049898
Energy: 1.9999015614471927
Energy: 1.8662474816697445
Energy: 1.9999015614478861
Energy: 1.8955524519791245
Energy: 1.7845106754313678
Energy: 1.8662857954463385
Energy: 1.7845106754316078
Energy: 1.8955524519793645
Energy: 1.7845106754313678
Energy: 1.8961904573374124
Energy: 1.7898276641667048
Energy: 2.0190920034910853
Energy: 1.7898276641657713
Energy: 1.896190457336959
Energy: 1.7898276641660114
Energy: 1.8659774405753788
Energy: 1.9936461890246642
Energy: 1.8660325577274142
Energy: 1.9936461890237303
Energy: 1.8659774405753788
Energy: 1.9936461890246642
Energy: 1.8666372430704021
Energy: 1.8702457322435422
Energy: 1.866172485517726
Energy: 1.8702457322437824
Energy: 1.8666372430701887
Energy: 1.8702457322428487
Energy: 1.895031456007097
Energy: 1.784205312431815
Energy: 1.8905977196114014
Energy: 1.784205312431815
Energy: 1.8950314560068569
Energy: 1.784205312431815
Energy: 1.8663663081018902
Energy: 1.7878145366958524
Energy: 1.860288632307941
Energy: 1.7878145366960925
Energy: 1.86636630810141
Energy: 1.7878145366960925
Energy: 1.8662061648103385
Energy: 1.9930092876354395
Energy: 1.8662165169052296
Energy: 1.9930092876354395
Energy: 1.8662061648108186
Energy: 1.9930092876359196
Energy: 1.8675840200384082
Energy: 1.787797478646745
Energy: 1.8665315141017904
Energy: 1.787797478646745
Energy: 1.867584020038168
Energy: 1.787797478646505
Energy: 1.8673202225379786
Energy: 1.784200656159492
Energy: 1.8950251259142157
Energy: 1.784200656159492
Energy: 1.867320222538912
Energy: 1.784200656159492

minimum gb energy = 1.784200656159492 eV
minimum distance =  2.09246815336924 Angstroms
sigma value = 9


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

Energy: 2.066386253277836
Energy: 2.0165855883225636
Energy: 1.9908655658094785
Energy: 2.0165855883225636
Energy: 2.0663862532784956
Energy: 2.0165855883219033
Energy: 2.0583531073520964
Energy: 1.932493177233767
Energy: 1.9390134279595448
Energy: 1.969385347685644
Energy: 2.058353107353416
Energy: 1.932493177233767
Energy: 1.9661194346031396
Energy: 2.015301922650228
Energy: 1.9415682206535139
Energy: 2.0153019226508877
Energy: 1.96611943460248
Energy: 2.0153019226508877
Energy: 1.8830498250007957
Energy: 1.9659709785525306
Energy: 1.8728800227383848
Energy: 1.9659709785525306
Energy: 1.8830498250007957
Energy: 1.9659709785525306
Energy: 1.880937147895365
Energy: 1.9708661064836022
Energy: 1.8988866030970024
Energy: 1.970866106484262
Energy: 1.880937147895365
Energy: 1.970866106484262
Energy: 1.8716365475981007
Energy: 1.984591516217038
Energy: 1.9430674448230236
Energy: 1.9922425149664764
Energy: 1.8716365475981007
Energy: 1.984591516217038
Energy: 2.072954197927233
Energy: 1.9638216812158455
Energy: 1.943080201206233
Energy: 1.9638216812165052
Energy: 2.072954197927233
Energy: 1.9638216812158455
Energy: 1.943018580323115
Energy: 1.9650142505770092
Energy: 1.9503841205255246
Energy: 1.9650142505770092
Energy: 1.9430185803204765
Energy: 1.9650142505770092
Energy: 1.9747106418407738
Energy: 2.0639128055796854
Energy: 1.9554049525556179
Energy: 2.0639128055796854
Energy: 1.9747106418414337
Energy: 2.0639128055790255
Energy: 1.9626804714875459
Energy: 2.009683910571803
Energy: 1.8815875114415181
Energy: 2.009683910571803
Energy: 1.9626804714875459
Energy: 2.009683910571803
Energy: 2.0259671078131234
Energy: 1.9405808668075997
Energy: 1.942514795232515
Energy: 1.9405808668075997
Energy: 2.0259671078131234
Energy: 1.9405808668082591
Energy: 1.9433354054101684
Energy: 1.9666180036325485
Energy: 1.944287505170199
Energy: 1.966618003631889
Energy: 1.9433354054101684
Energy: 1.966618003631889
Energy: 1.8692652999906616
Energy: 1.9850562819786088
Energy: 1.8937226533890499
Energy: 1.9850562819786088
Energy: 1.8692652999900021
Energy: 1.9850562819786088
Energy: 2.024562197478707
Energy: 2.0105313980471924
Energy: 1.8933289610791078
Energy: 2.0105313980471924
Energy: 2.0245621974793666
Energy: 2.0105313980471924
Energy: 1.9404319295818644
Energy: 1.9653078485919007
Energy: 1.9417678286034254
Energy: 1.9653078485912412
Energy: 1.9404319295818644
Energy: 1.9653078485912412
Energy: 1.9622651770494473
Energy: 1.9428118680084372
Energy: 1.9438133844691734
Energy: 1.9428118680077777
Energy: 1.9622651770487878
Energy: 1.942811868007118
Energy: 1.9626040875218482
Energy: 2.0099324816383604
Energy: 1.8822712566122897
Energy: 2.0099324816383604
Energy: 1.9626040875198694
Energy: 2.0099324816383604
Energy: 1.8733716191403769
Energy: 2.0263182165392175
Energy: 1.9392210099088747
Energy: 2.026318216539877
Energy: 1.8733716191390577
Energy: 2.0263182165392175
Energy: 1.9428943517523745
Energy: 2.010069083946495
Energy: 1.8693263936612656
Energy: 2.0100690839458357
Energy: 1.9428943517503956
Energy: 2.010069083946495
Energy: 1.869164815135552
Energy: 1.9954166560751243
Energy: 1.869173270013849
Energy: 1.978783901114782
Energy: 1.8691648151375309
Energy: 1.978783901114782
Energy: 1.8693279383627808
Energy: 2.009946227195632
Energy: 1.9429548978730604
Energy: 2.009946227195632
Energy: 1.869327938362121
Energy: 2.009946227195632
Energy: 1.9392421908847888
Energy: 2.0263642635616765
Energy: 1.8733044842569269
Energy: 2.0263642635616765
Energy: 1.9392421908854482
Energy: 2.026364263561017
Energy: 1.8822564426126542
Energy: 2.009934540453416
Energy: 1.9625734836637152
Energy: 2.0099345404540756
Energy: 1.8822564426133137
Energy: 2.0099345404540756
Energy: 1.9438053321000883
Energy: 1.9428151681171535
Energy: 1.96234947013219
Energy: 1.9428151681171535
Energy: 1.9438053321000883
Energy: 1.9428151681171535
Energy: 1.9417716494760269
Energy: 1.9652893159190392
Energy: 1.9406599911273201
Energy: 1.9652893159183797
Energy: 1.9417716494766863
Energy: 1.9652893159190392
Energy: 1.89332708442664
Energy: 2.0105070243776972
Energy: 2.024566230482375
Energy: 2.0105070243776972
Energy: 1.89332708442664
Energy: 2.0105070243776972
Energy: 1.8936371224185742
Energy: 1.9850531860069645
Energy: 1.8692792629857231
Energy: 1.9850531860082836
Energy: 1.8936371224198936
Energy: 1.985053186007624
Energy: 1.9442632430159876
Energy: 1.9665893293369883
Energy: 1.9433411530776312
Energy: 1.9665893293369883
Energy: 1.944263243016647
Energy: 1.9665893293363288
Energy: 1.9425396684061405
Energy: 1.9406055393094142
Energy: 2.0754610265788664
Energy: 1.9406055393087547
Energy: 1.942539668405481
Energy: 1.9406055393094142
Energy: 1.8815878499478638
Energy: 2.00968102208973
Energy: 1.9626854803474374
Energy: 2.00968102208973
Energy: 1.8815878499478638
Energy: 2.00968102208973
Energy: 1.939249117576365
Energy: 2.063912805580345
Energy: 1.974715139937706
Energy: 2.0639128055810043
Energy: 1.939249117575046
Energy: 2.063912805580345
Energy: 1.9503165789977555
Energy: 1.965268845173359
Energy: 1.943031134944057
Energy: 1.9652688451726996
Energy: 1.9503165789937977
Energy: 1.965268845173359
Energy: 1.9430553765702718
Energy: 1.9638095931261106
Energy: 2.072929959818387
Energy: 1.9638095931261106
Energy: 1.9430553765722505
Energy: 1.9638095931254511
Energy: 1.9430511248530717
Energy: 1.9935127228496703
Energy: 1.8716373534083366
Energy: 1.9935127228490104
Energy: 1.9430511248504334
Energy: 1.9935127228490104
Energy: 1.8729958650448482
Energy: 1.9709300292880692
Energy: 1.8809398648427182
Energy: 1.9709300292880692
Energy: 1.8729958650448482
Energy: 1.9709300292880692
Energy: 1.8729251413129118
Energy: 1.9660049755222322
Energy: 1.88307182575751
Energy: 1.9660049755215725
Energy: 1.8729251413129118
Energy: 1.9660049755215725
Energy: 1.941555775621395
Energy: 2.0152745500810894
Energy: 1.9661039369067994
Energy: 2.0152745500810894
Energy: 1.9415557756207653
Energy: 2.015274550081749
Energy: 1.9390629079555235
Energy: 1.9562963545864813
Energy: 2.0584483859858502
Energy: 1.9562963545864813
Energy: 1.939062907956183
Energy: 1.9562963545864813
Energy: 1.9726430626212328
Energy: 2.0165855883225636
Energy: 2.066386253279815
Energy: 2.0165855883232235
Energy: 1.9726430626212328
Energy: 2.0165855883232235
Energy: 1.9390134279595448
Energy: 1.932493177233767
Energy: 2.058353107351437
Energy: 1.9324931772344267
Energy: 1.9390134279595448
Energy: 1.932493177233767
Energy: 1.941568220654833
Energy: 2.0153019226522066
Energy: 1.9661194346018205
Energy: 2.0153019226515476
Energy: 1.9415682206541733
Energy: 2.0153019226522066
Energy: 1.8728800227370657
Energy: 1.9659709785525306
Energy: 1.8830498250014551
Energy: 1.9659709785525306
Energy: 1.8728800227377254
Energy: 1.9659709785525306
Energy: 1.9196080791378105
Energy: 1.9708661064849218
Energy: 1.8809371478947052
Energy: 1.9708661064849218
Energy: 1.9196080791364911
Energy: 1.9708661064849218

minimum gb energy = 1.869164815135552 eV
minimum distance =  2.02528902162815 Angstroms
sigma value = 57


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

Energy: 1.8115482736792743
Energy: 1.974341036395641
Energy: 1.9078742241059965
Energy: 1.974341036395641
Energy: 1.8115482736792743
Energy: 1.974341036395641
Energy: 1.6773799009312593
Energy: 1.906499143206828
Energy: 1.745630373326775
Energy: 1.906499143206828
Energy: 1.6773799009282562
Energy: 1.906499143206828
Energy: 1.6867181958820574
Energy: 1.8908491509302474
Energy: 1.7222344475747455
Energy: 1.8908491509302474
Energy: 1.6867181958820574
Energy: 1.8908491509302474
Energy: 1.6935268325237751
Energy: 1.8831279029358374
Energy: 1.693879634322183
Energy: 1.8831279029358374
Energy: 1.6935268325237751
Energy: 1.8831279029358374
Energy: 1.69318575552342
Energy: 1.9750165810739504
Energy: 1.7455927996325156
Energy: 1.9750165810739504
Energy: 1.6931857555249212
Energy: 1.9750165810739504
Energy: 1.6948833965345538
Energy: 1.883460450919736
Energy: 1.6858034376170028
Energy: 1.883460450919736
Energy: 1.6948833965345538
Energy: 1.883460450919736
Energy: 1.6949398228772325
Energy: 1.8835752792566232
Energy: 1.6858315170584008
Energy: 1.8835752792566232
Energy: 1.6949398228772325
Energy: 1.8835752792566232
Energy: 1.6931877477858954
Energy: 1.9749297615910966
Energy: 1.6938622340908298
Energy: 1.9749297615925978
Energy: 1.6931877477858954
Energy: 1.9749297615925978
Energy: 1.6935342058727572
Energy: 1.8831049822187378
Energy: 1.7455360517454632
Energy: 1.8831049822187378
Energy: 1.6935342058727572
Energy: 1.8831049822172363
Energy: 1.6866987772277566
Energy: 1.8908415731521853
Energy: 1.7222277515883528
Energy: 1.8908415731536867
Energy: 1.6866987772262554
Energy: 1.8908415731521853
Energy: 1.6774207217931554
Energy: 1.9064991432053264
Energy: 1.7458692536178835
Energy: 1.906499143206828
Energy: 1.6774207217931554
Energy: 1.9064991432053264
Energy: 1.811548273677773
Energy: 1.974341036395641
Energy: 1.8721732896081946
Energy: 1.974341036395641
Energy: 1.8115482736747697
Energy: 1.974341036395641
Energy: 1.6773799009312593
Energy: 1.906499143206828
Energy: 1.7066074876155175
Energy: 1.9064991432053264
Energy: 1.6773799009282562
Energy: 1.906499143206828
Energy: 1.6867181958820574
Energy: 1.8908491509302474
Energy: 1.722239403612387
Energy: 1.8908491509302474
Energy: 1.6867181958820574
Energy: 1.8908491509302474
Energy: 1.6935268325252766
Energy: 1.8831279029358374
Energy: 1.693879634322183
Energy: 1.8831279029373387
Energy: 1.6935268325237751
Energy: 1.8831279029373387
Energy: 1.69318575552342
Energy: 1.9750165810739504
Energy: 1.676936782999149
Energy: 1.9750165810739504
Energy: 1.69318575552342
Energy: 1.9750165810739504
Energy: 1.6948833965345538
Energy: 1.883460450919736
Energy: 1.6858034376139996
Energy: 1.883460450919736
Energy: 1.6948833965345538
Energy: 1.883460450919736
Energy: 1.694939822878734
Energy: 1.8835752792566232
Energy: 1.6858315170584008
Energy: 1.8835752792566232
Energy: 1.6949398228772325
Energy: 1.8835752792566232
Energy: 1.6931877477858954
Energy: 1.9749297615910966
Energy: 1.6938622340893286
Energy: 1.9749297615925978
Energy: 1.6931877477858954
Energy: 1.9749297615910966

minimum gb energy = 1.676936782999149 eV
minimum distance =  2.00269731615176 Angstroms
sigma value = 11


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

Energy: 1.6045234287916637
Energy: 1.910625166570532
Energy: 1.7531830277443912
Energy: 1.910625166570532
Energy: 1.6045234287916637
Energy: 1.910625166570532
Energy: 1.509668112970347
Energy: 1.752914058215013
Energy: 1.5074100057418087
Energy: 1.752914058215013
Energy: 1.509668112971447
Energy: 1.752914058215013
Energy: 1.6510128555089099
Energy: 1.7782904265107953
Energy: 1.6272617517356636
Energy: 1.7782904265107953
Energy: 1.6510128555089099
Energy: 1.7782904265107953
Energy: 1.5084047149570443
Energy: 1.7406755727217513
Energy: 1.5073527281355292
Energy: 1.7406755727217513
Energy: 1.5084047149559443
Energy: 1.7406755727217513
Energy: 1.5074840283626065
Energy: 1.9019271263416075
Energy: 1.5344562314662806
Energy: 1.9019271263416075
Energy: 1.5074840283626065
Energy: 1.9019271263416075
Energy: 1.515896942041567
Energy: 1.865385504305006
Energy: 1.507334392333963
Energy: 1.865385504305006
Energy: 1.515896942041567
Energy: 1.865385504305006
Energy: 1.5163780056003724
Energy: 1.7773428794167845
Energy: 1.5145638722212527
Energy: 1.7773428794156845
Energy: 1.5163780056003724
Energy: 1.7773428794156845
Energy: 1.5181340639746734
Energy: 1.9049327761793522
Energy: 1.542011771800277
Energy: 1.9049327761782524
Energy: 1.5181340639746734
Energy: 1.9049327761793522
Energy: 1.5177522397335126
Energy: 1.90109509367522
Energy: 1.654709808270893
Energy: 1.9010950936730202
Energy: 1.5177522397335126
Energy: 1.90109509367412
Energy: 1.5153337094906676
Energy: 1.7727735476750566
Energy: 1.50735581177577
Energy: 1.7727735476750566
Energy: 1.5153337094906676
Energy: 1.7727735476750566
Energy: 1.5163487518441694
Energy: 1.8594764030387465
Energy: 1.5149107409107418
Energy: 1.8594764030387465
Energy: 1.5163487518441694
Energy: 1.8594764030387465
Energy: 1.5076095254180555
Energy: 1.9083836875286553
Energy: 1.5074805295796776
Energy: 1.908383687529755
Energy: 1.5076095254180555
Energy: 1.9083836875286553
Energy: 1.5164640287607793
Energy: 1.7409783910954055
Energy: 1.5174236053349976
Energy: 1.7409783910954055
Energy: 1.5164640287596791
Energy: 1.7409783910965055
Energy: 1.5074639638151746
Energy: 1.7728621168413436
Energy: 1.5159872941174486
Energy: 1.7728621168413436
Energy: 1.5074639638162743
Energy: 1.7728621168424432
Energy: 1.5098334124739008
Energy: 1.7533713614079476
Energy: 1.5141256577592372
Energy: 1.7533713614090476
Energy: 1.5098334124739008
Energy: 1.7533713614079476
Energy: 1.5424921504509619
Energy: 1.9062861582089456
Energy: 1.5181935660082169
Energy: 1.9062861582100457
Energy: 1.5424921504520617
Energy: 1.9062861582089456
Energy: 1.5088976399720873
Energy: 1.7526583872922346
Energy: 1.51746716401516
Energy: 1.7526583872922346
Energy: 1.5088976399720873
Energy: 1.752658387291135
Energy: 1.5073841006848887
Energy: 1.7739560941981876
Energy: 1.5330215398869396
Energy: 1.7739560941970876
Energy: 1.5073841006859885
Energy: 1.7739560941981876
Energy: 1.508352290507986
Energy: 1.7406052118005144
Energy: 1.5150008582613992
Energy: 1.7406052117994149
Energy: 1.508352290509086
Energy: 1.7406052118005144
Energy: 1.5073156836879258
Energy: 1.9114984157089847
Energy: 1.5185706184893555
Energy: 1.9114984157089847
Energy: 1.5073156836890258
Energy: 1.9114984157089847
Energy: 1.5687192880713887
Energy: 1.8609112602354196
Energy: 1.5074519448193078
Energy: 1.8609112602365192
Energy: 1.5687192880713887
Energy: 1.8609112602354196
Energy: 1.5153743356960445
Energy: 1.773701806624746
Energy: 1.5113857699535351
Energy: 1.773701806625846
Energy: 1.5153743356949445
Energy: 1.773701806625846
Energy: 1.516842606822168
Energy: 1.9031007458675788
Energy: 1.5419970301299306
Energy: 1.9031007458675788
Energy: 1.516842606822168
Energy: 1.9031007458675788
Energy: 1.5073991388111583
Energy: 1.9112165143346653
Energy: 1.513203210153966
Energy: 1.9112165143335655
Energy: 1.5073991388111583
Energy: 1.9112165143346653
Energy: 1.5157545329467499
Energy: 1.7728574476008327
Energy: 1.5073015632348052
Energy: 1.7728574476008327
Energy: 1.5157545329467499
Energy: 1.7728574475997325
Energy: 1.5154708974297644
Energy: 1.8592075868207956
Energy: 1.5109187049784474
Energy: 1.8592075868229951
Energy: 1.5154708974297644
Energy: 1.8592075868207956

minimum gb energy = 1.5073015632348052 eV
minimum distance =  2.12383976712054 Angstroms
sigma value = 41


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

Energy: 2.0485939593221367
Energy: 1.8540700455731096
Energy: 1.6358432857753291
Energy: 1.8540700455731096
Energy: 2.048593959363747
Energy: 1.8540700455731096
Energy: 1.3594187423097441
Energy: 1.5913597066774239
Energy: 1.3564849705173223
Energy: 1.591359706678291
Energy: 1.3594187423080104
Energy: 1.5913597066774239
Energy: 1.4480315907702443
Energy: 1.7706436486671333
Energy: 1.3870029933463046
Energy: 1.7706436486671333
Energy: 1.4480315907685108
Energy: 1.7706436486671333
Energy: 1.360334892074129
Energy: 1.5770500476305587
Energy: 1.3562982344557903
Energy: 1.5770500476305587
Energy: 1.3603348920749956
Energy: 1.5770500476305587
Energy: 1.4489275198046279
Energy: 1.6129986471923294
Energy: 1.3744357397298506
Energy: 1.6129986471923294
Energy: 1.4489275198046279
Energy: 1.6129986471923294
Energy: 1.3725913469313424
Energy: 1.717631753829278
Energy: 1.356263648999934
Energy: 1.717631753829278
Energy: 1.3725913469313424
Energy: 1.717631753829278
Energy: 1.360741291424133
Energy: 1.759363558211728
Energy: 1.3590479799735633
Energy: 1.759363558211728
Energy: 1.360741291424133
Energy: 1.7593635582125948
Energy: 1.4288700907973695
Energy: 1.7587463909213366
Energy: 1.3861892337029433
Energy: 1.7587463909204695
Energy: 1.4288700907965026
Energy: 1.7587463909213366
Energy: 1.3733978778002671
Energy: 1.6139131240304492
Energy: 1.4751578698298173
Energy: 1.6139131240304492
Energy: 1.3733978778002671
Energy: 1.6139131240304492
Energy: 1.3727604083867972
Energy: 1.7585956384127215
Energy: 1.3874397689843485
Energy: 1.7585956384127215
Energy: 1.3727604083876639
Energy: 1.7585956384127215
Energy: 1.36958095427019
Energy: 1.7591828158747738
Energy: 1.3873050326851548
Energy: 1.7591828158747738
Energy: 1.36958095427019
Energy: 1.7591828158747738
Energy: 1.369070976583946
Energy: 1.7872027970028326
Energy: 1.386411966481043
Energy: 1.7872027970028326
Energy: 1.3690709765848128
Energy: 1.8032667007486887
Energy: 1.3735524679423359
Energy: 1.717947175676579
Energy: 1.4752877113432923
Energy: 1.717947175676579
Energy: 1.3735524679432027
Energy: 1.7179471756774458
Energy: 1.3576676242378294
Energy: 1.7585406291924637
Energy: 1.356568077042824
Energy: 1.7585406291924637
Energy: 1.3576676242378294
Energy: 1.7585406291933303
Energy: 1.3707853536444121
Energy: 1.7177373997452619
Energy: 1.358286471364423
Energy: 1.7177373997452619
Energy: 1.3707853536444121
Energy: 1.7177373997452619
Energy: 1.3561979259173358
Energy: 1.8030164361175418
Energy: 1.3570155038867617
Energy: 1.8030164361175418
Energy: 1.356197925916469
Energy: 1.8030164361175418
Energy: 1.3582730642392513
Energy: 1.7195763239227426
Energy: 1.3737566611628451
Energy: 1.7195763239227426
Energy: 1.3582730642392513
Energy: 1.7195763239227426
Energy: 1.386439143176292
Energy: 1.7586450160093945
Energy: 1.3685745084679646
Energy: 1.7586450160102614
Energy: 1.3864391431797594
Energy: 1.7586450160093945
Energy: 1.3599837406764883
Energy: 1.592113712992732
Energy: 1.3582687508101225
Energy: 1.592113712992732
Energy: 1.3599837406825563
Energy: 1.592113712993599
Energy: 1.3884580192599048
Energy: 1.8027653728020188
Energy: 1.369300503873998
Energy: 1.8027653728020188
Energy: 1.3884580192590377
Energy: 1.8027653728020188
Energy: 1.3664252083540145
Energy: 1.5908928854417173
Energy: 1.3659224287921556
Energy: 1.5908928854417173
Energy: 1.3664252083548813
Energy: 1.5908928854408504
Energy: 1.3863179123124476
Energy: 1.7586231528415075
Energy: 1.368955376858473
Energy: 1.7586231528423746
Energy: 1.3863179123115805
Energy: 1.7586231528415075
Energy: 1.3578693087569247
Energy: 1.576329912409963
Energy: 1.358261684464688
Energy: 1.576329912409963
Energy: 1.3578693087569247
Energy: 1.57632991241083
Energy: 1.3563060772368267
Energy: 1.6649944242980064
Energy: 1.3698884941425253
Energy: 1.6649944242980064
Energy: 1.3563060772368267
Energy: 1.6649944242980064
Energy: 1.3726666488646353
Energy: 1.717359842108588
Energy: 1.3563799807577137
Energy: 1.717359842108588
Energy: 1.3726666488655022
Energy: 1.717359842108588
Energy: 1.3574524608302814
Energy: 1.664964026292311
Energy: 1.3583179214526235
Energy: 1.6649640262914445
Energy: 1.3574524608294145
Energy: 1.664964026292311
Energy: 1.4286519445166255
Energy: 1.7584359724491747
Energy: 1.3862720148849126
Energy: 1.758435972448308
Energy: 1.4286519445174923
Energy: 1.758435972448308
Energy: 1.3689511062027968
Energy: 1.6758136203249894
Energy: 1.3577949645182135
Energy: 1.6758136203249894
Energy: 1.3689511062027968
Energy: 1.6758136203249894
Energy: 1.3729258512747862
Energy: 1.7586183621514884
Energy: 1.3881756862593189
Energy: 1.7586183621514884
Energy: 1.3729258512747862
Energy: 1.7586183621514884
Energy: 1.3575321256484594
Energy: 1.7389002418786488
Energy: 1.3874499475717026
Energy: 1.7389002418803823
Energy: 1.3575321256484594
Energy: 1.7389002418795154
Energy: 1.369211697991337
Energy: 1.7583938876143528
Energy: 1.3863328389298897
Energy: 1.7583938876143528
Energy: 1.369211697991337
Energy: 1.758393887613486
Energy: 1.3689694364825968
Energy: 1.7181153189915679
Energy: 1.3577962801306045
Energy: 1.7181153189907012
Energy: 1.3689694364817302
Energy: 1.7181153189915679
Energy: 1.358334034712338
Energy: 1.7584128123105656
Energy: 1.3565524365599326
Energy: 1.7584128123114322
Energy: 1.358334034712338
Energy: 1.7584128123105656

minimum gb energy = 1.356197925916469 eV
minimum distance =  2.10340237267494 Angstroms
sigma value = 33


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

Energy: 1.7131162604258612
Energy: 1.584758607759028
Energy: 1.4747654232406984
Energy: 1.5847586077584195
Energy: 1.7131162604276864
Energy: 1.5847586077584195
Energy: 1.4960742288570519
Energy: 1.3624136457133267
Energy: 1.1820990898683439
Energy: 1.3624136457127183
Energy: 1.496074228858877
Energy: 1.3624136457133267
Energy: 1.6602047246281892
Energy: 1.5820058021847891
Energy: 1.2014778461890234
Energy: 1.5820058021841807
Energy: 1.6602047246294058
Energy: 1.5820058021853975
Energy: 1.7616362443970908
Energy: 1.3553101076302498
Energy: 1.1819000937828994
Energy: 1.3553101076296417
Energy: 1.7616362443970908
Energy: 1.3553101076302498
Energy: 1.2694585609489764
Energy: 1.5399341316958723
Energy: 1.1886515055582012
Energy: 1.5399341316952642
Energy: 1.2694585609489764
Energy: 1.5399341316946555
Energy: 1.749651886130514
Energy: 1.4772288733335996
Energy: 1.1820238096369193
Energy: 1.4772288733335996
Energy: 1.7496518861299057
Energy: 1.4772288733329912
Energy: 1.2470784845736465
Energy: 1.492500429663568
Energy: 1.1790658523652213
Energy: 1.4925004296629596
Energy: 1.2470784845736465
Energy: 1.4925004296629596
Energy: 1.6045727626629567
Energy: 1.4914020928747453
Energy: 1.191963300902074
Energy: 1.491402092875354
Energy: 1.604572762663565
Energy: 1.491402092875354
Energy: 1.1957325928474405
Energy: 1.5394198124068008
Energy: 1.4117029852613228
Energy: 1.5394198124068008
Energy: 1.1957325928462237
Energy: 1.5394198124074094
Energy: 1.4670657699903669
Energy: 1.5447146094071744
Energy: 1.4945225794953965
Energy: 1.5447146094077828
Energy: 1.4670657699897585
Energy: 1.5447146094083914
Energy: 1.1878685337210768
Energy: 1.4924354867335925
Energy: 1.4938341378264173
Energy: 1.4924354867335925
Energy: 1.1878685337204684
Energy: 1.492435486732984
Energy: 1.7521029374322319
Energy: 1.5709087119759295
Energy: 1.5302979970100363
Energy: 1.5709087119747125
Energy: 1.7521029374328403
Energy: 1.5709087119747125
Energy: 1.4810859571662234
Energy: 1.5392678665101875
Energy: 1.6393782525514464
Energy: 1.5392678665101875
Energy: 1.481085957165615
Energy: 1.5392678665095794
Energy: 1.467010815302297
Energy: 1.5748276897054212
Energy: 1.8184462736606104
Energy: 1.574827689706638
Energy: 1.467010815302297
Energy: 1.574827689706638
Energy: 1.4748683099941386
Energy: 1.4925382795317632
Energy: 1.8166175161488798
Energy: 1.4925382795317632
Energy: 1.4748683099941386
Energy: 1.4925382795317632
Energy: 1.4741321953101902
Energy: 1.570602662868308
Energy: 1.530134928168097
Energy: 1.5706026628689165
Energy: 1.4741321953101902
Energy: 1.5706026628689165
Energy: 1.481198037806224
Energy: 1.5392064938337913
Energy: 1.6394252067997488
Energy: 1.5392064938343997
Energy: 1.481198037806224
Energy: 1.5392064938337913
Energy: 1.179254799407345
Energy: 1.575195916845813
Energy: 1.494005123770769
Energy: 1.5751959168464214
Energy: 1.1792547994067366
Energy: 1.5751959168470295
Energy: 1.4662619214306143
Energy: 1.5240073083909886
Energy: 1.493661597874887
Energy: 1.524007308391597
Energy: 1.4662619214306143
Energy: 1.524007308391597
Energy: 1.1881532739264733
Energy: 1.5761815286022614
Energy: 1.192240398925254
Energy: 1.576181528601653
Energy: 1.1881532739264733
Energy: 1.576181528601653
Energy: 1.4730841307336788
Energy: 1.523588487078538
Energy: 1.411783765827118
Energy: 1.523588487078538
Energy: 1.4730841307342872
Energy: 1.523588487078538
Energy: 1.1869639636190135
Energy: 1.5751332481419995
Energy: 1.1819196149926243
Energy: 1.5751332481419995
Energy: 1.1869639636190135
Energy: 1.5751332481426081
Energy: 1.7448951548086815
Energy: 1.5254702853531148
Energy: 1.1786776955491642
Energy: 1.5254702853537232
Energy: 1.7448951548080731
Energy: 1.5254702853537232
Energy: 1.2116335414317496
Energy: 1.5761521483487715
Energy: 1.1815632458939567
Energy: 1.5761521483493797
Energy: 1.2116335414317496
Energy: 1.5761521483487715
Energy: 1.77369702169657
Energy: 1.532475462826559
Energy: 1.4038279661904947
Energy: 1.532475462826559
Energy: 1.7736970216977865
Energy: 1.532475462825951
Energy: 1.5288197676235555
Energy: 1.575241543194924
Energy: 1.1874083086989908
Energy: 1.5752415431943159
Energy: 1.5288197676192967
Energy: 1.575241543194924
Energy: 1.7762103071934547
Energy: 1.421356275032334
Energy: 1.1785952467583365
Energy: 1.4213562750329423
Energy: 1.776210307185546
Energy: 1.4213562750329423
Energy: 1.579153068022372
Energy: 1.5758313045642838
Energy: 1.4690122674313173
Energy: 1.5758313045648922
Energy: 1.5791530680229804
Energy: 1.5758313045636754
Energy: 1.4966774175997215
Energy: 1.506268066554293
Energy: 1.3309064552754493
Energy: 1.506268066553076
Energy: 1.4966774176021551
Energy: 1.5062680665536845
Energy: 1.528580426395343
Energy: 1.5750452173407699
Energy: 1.4780889212008328
Energy: 1.5750452173407699
Energy: 1.5285804263977767
Energy: 1.5750452173407699
Energy: 1.7456739875636982
Energy: 1.3552984977787113
Energy: 1.1787731082084243
Energy: 1.3552984977787113
Energy: 1.7456739875630898
Energy: 1.3552984977793197
Energy: 1.2115657601715526
Energy: 1.5435936751919332
Energy: 1.3311936468057806
Energy: 1.5435936751907162
Energy: 1.2115657601715526
Energy: 1.5435936751901078
Energy: 1.4814129727566763
Energy: 1.4768523008095409
Energy: 1.1878154097023428
Energy: 1.4768523008095409
Energy: 1.4814129727566763
Energy: 1.4768523008089325
Energy: 1.186808348093647
Energy: 1.4915408956116576
Energy: 1.4688205393241425
Energy: 1.4915408956110492
Energy: 1.1868083480942555
Energy: 1.491540895610441
Energy: 1.4685266049080845
Energy: 1.4915404836886175
Energy: 1.1869155905010804
Energy: 1.4915404836886175
Energy: 1.4685266049080845
Energy: 1.4915404836874004
Energy: 1.1877975261709868
Energy: 1.4768436732726316
Energy: 1.4811480527999836
Energy: 1.4768436732720231
Energy: 1.1877975261709868
Energy: 1.4768436732726316
Energy: 1.3311334775317296
Energy: 1.5436006465554029
Energy: 1.2116390564994581
Energy: 1.5436006465554029
Energy: 1.3311334775317296
Energy: 1.5436006465554029
Energy: 1.178771469760785
Energy: 1.3553244415454302
Energy: 1.745630882337571
Energy: 1.3553244415454302
Energy: 1.1787714697613934
Energy: 1.3553244415460384
Energy: 1.4780889211910986
Energy: 1.575047114988528
Energy: 1.5286890362723653
Energy: 1.5750471149879195
Energy: 1.478088921191707
Energy: 1.5750471149879195
Energy: 1.4840065094828
Energy: 1.5063091903178933
Energy: 1.4968406672015626
Energy: 1.506309190317285
Energy: 1.484006509482192
Energy: 1.506309190317285
Energy: 1.4690313306407992
Energy: 1.5758566348196816
Energy: 1.579097891182066
Energy: 1.5758566348196816
Energy: 1.4690313306407992
Energy: 1.5758566348196816
Energy: 1.1786264101498174
Energy: 1.4213749421923314
Energy: 1.7760074085361608
Energy: 1.4213749421923314
Energy: 1.178626410149209
Energy: 1.4213749421935482
Energy: 1.1874159656058068
Energy: 1.5752399950026001
Energy: 1.5288180081885463
Energy: 1.5752399950026001
Energy: 1.1874159656051986
Energy: 1.575239995001992
Energy: 1.4843197792697478
Energy: 1.532462498135927
Energy: 1.773167979330817
Energy: 1.532462498135927
Energy: 1.4843197792691394
Energy: 1.5324624981353185
Energy: 1.1815414490278202
Energy: 1.576158810491889
Energy: 1.2117151537599944
Energy: 1.576158810491889
Energy: 1.1815414490284288
Energy: 1.576158810491889
Energy: 1.1786850608665764
Energy: 1.5254702853689328
Energy: 1.7448904986282179
Energy: 1.5254702853701496
Energy: 1.1786850608665764
Energy: 1.5254702853689328
Energy: 1.1819297532737705
Energy: 1.5751607256231692
Energy: 1.186919871548046
Energy: 1.5751607256231692
Energy: 1.1819297532737705
Energy: 1.5751607256231692

minimum gb energy = 1.1785952467583365 eV
minimum distance =  2.12755511275752 Angstroms
sigma value = 67


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

Energy: 0.4212295349463079
Energy: 0.40563758815586665
Energy: 1.2601327773513054
Energy: 0.40563758815545087
Energy: 0.42122953494672377
Energy: 0.4056375881562363
Energy: 0.38713022854103135
Energy: 0.9348278857695544
Energy: 0.857342979912933
Energy: 0.9348278857715874
Energy: 0.38713022854223267
Energy: 0.9348278857671055
Energy: 0.4212295349463079
Energy: 0.4056375881562363
Energy: 1.260132777360269
Energy: 0.4056375881562363
Energy: 0.42122953494672377
Energy: 0.40563758815665213
Energy: 0.3871302285414472
Energy: 0.9348278857703861
Energy: 0.8573429799263322
Energy: 0.9348278857703861
Energy: 0.38713022854223267
Energy: 0.9348278857756535
Energy: 0.4212295349458921
Energy: 0.4056375881562363
Energy: 1.945547558433859
Energy: 0.40563758815665213
Energy: 0.4212295349463079
Energy: 0.4056375881562363
Energy: 0.3871302285414472
Energy: 0.9348278857695544
Energy: 0.8573429799161674
Energy: 0.9348278857703861
Energy: 0.38713022854181683
Energy: 0.9348278857813366
Energy: 0.4212295349463079
Energy: 0.40563758815665213
Energy: 2.0582475921147148
Energy: 0.40563758815665213
Energy: 0.4212295349463079
Energy: 0.40563758815665213

minimum gb energy = 0.38713022854103135 eV
minimum distance =  2.37414808563786 Angstroms
sigma value = 3


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

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Energy: 1.6346689195073625
Energy: 1.464071098331629
Energy: 1.6346689195068091
Energy: 2.0644257260861014
Energy: 1.6346689195068091
Energy: 1.608830253336638
Energy: 1.0794547554979863
Energy: 1.0902739384673066
Energy: 1.0794547554985396
Energy: 1.6088302533399579
Energy: 1.0794547554979863
Energy: 1.8930125418867034
Energy: 1.5976165318500186
Energy: 1.3821639433614679
Energy: 1.5976165318500186
Energy: 1.89301254188615
Energy: 1.5976165318494653
Energy: 1.591037705862037
Energy: 1.3170360694515442
Energy: 1.1004977925063182
Energy: 1.3170360694526508
Energy: 1.5910377058581637
Energy: 1.3170360694520973
Energy: 1.6668443683696779
Energy: 1.5633897988730456
Energy: 1.0995623589186387
Energy: 1.5633897988730456
Energy: 1.6668443683680179
Energy: 1.5633897988735992
Energy: 1.5788551807424924
Energy: 1.4218307301678523
Energy: 1.2004281070269747
Energy: 1.4218307301678523
Energy: 1.5788551807391724
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Energy: 1.45147032492059
Energy: 1.5399390200047762
Energy: 1.199141743714129
Energy: 1.5399390200053291
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Energy: 1.4837263097485602
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Energy: 1.4965707656135903
Energy: 1.2207814165934927
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Energy: 1.4353515733608742
Energy: 1.220781416594046
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Energy: 1.5569640317838078
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Energy: 1.5159347979780573
Energy: 1.4551527556787687
Energy: 1.5616271328800944
Energy: 1.6388046157375982
Energy: 1.5616271328800944
Energy: 1.4551527556804285
Energy: 1.5646505398857204
Energy: 1.1090673712233865
Energy: 1.3236647763419647
Energy: 1.516243401758809
Energy: 1.3236647763441782
Energy: 1.1090673712233865
Energy: 1.3236647763425182
Energy: 1.3595012279321081
Energy: 1.585712939291107
Energy: 1.6513842346621124
Energy: 1.5857129392905536
Energy: 1.3595012279321081
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Energy: 1.1884638560551244
Energy: 1.5076507563757646
Energy: 1.5362579817571644
Energy: 1.5076507563757646
Energy: 1.1884638560551244
Energy: 1.5076507563757646
Energy: 1.0802035919056745
Energy: 1.5927897673826938
Energy: 1.59030615321465
Energy: 1.5860052139294205
Energy: 1.0802035919051212
Energy: 1.5860052139294205
Energy: 1.0979791234308247
Energy: 1.4086159445805728
Energy: 1.5161997391358173
Energy: 1.4086159445800197
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Energy: 1.4086159445805728
Energy: 1.0938335926708762
Energy: 1.585732939616617
Energy: 1.6514584367458072
Energy: 1.5857329396171704
Energy: 1.0938335926708762
Energy: 1.585732939616617
Energy: 1.275379992441802
Energy: 1.5498990768775027
Energy: 1.6067067071782501
Energy: 1.549899076876396
Energy: 1.2753799924429083
Energy: 1.5498990768775027
Energy: 1.1986573163611178
Energy: 1.5963419140247728
Energy: 1.6389177887816568
Energy: 1.5907127635442977
Energy: 1.1986573163611178
Energy: 1.5907127635442977
Energy: 1.1971741513247838
Energy: 1.5689963451347675
Energy: 1.4850984768875357
Energy: 1.5689963451331075
Energy: 1.1971741513247838
Energy: 1.5689963451303408
Energy: 1.2253872158833052
Energy: 1.5759581317501787
Energy: 1.59697700577274
Energy: 1.575958131750732
Energy: 1.2253872158827521
Energy: 1.575958131750732
Energy: 1.5666440119338547
Energy: 1.565227184537566
Energy: 1.5751284735766757
Energy: 1.5652271845370127
Energy: 1.5666440119338547
Energy: 1.5652271845370127
Energy: 1.5997874345873715
Energy: 1.60280092589756
Energy: 1.2408462288879845
Energy: 1.6028009258970066
Energy: 1.5997874345879248
Energy: 1.5987662062858712
Energy: 1.5974390299934398
Energy: 1.5821677418044482
Energy: 1.4637475693965276
Energy: 1.5821677418050015
Energy: 1.5974390299934398
Energy: 1.5821677418044482
Energy: 1.6429006726174273
Energy: 1.584140968529767
Energy: 1.2004189928069195
Energy: 1.5841409685303203
Energy: 1.6429006726179807
Energy: 1.5841409685303203
Energy: 1.606574798801293
Energy: 1.5815532237822383
Energy: 1.1717864684646213
Energy: 1.5815532237822383
Energy: 1.6065747988023997
Energy: 1.5815532237827916
Energy: 1.6498497129374161
Energy: 1.603083542290049
Energy: 1.1001005068696184
Energy: 1.6030835422894958
Energy: 1.649849712935756
Energy: 1.5987571147404793
Energy: 1.6507678427465364
Energy: 1.5622933066189795
Energy: 1.3687986154979606
Energy: 1.5622933066189795
Energy: 1.6507678427443233
Energy: 1.5622933066200861
Energy: 1.707904661753752
Energy: 1.5790760295312845
Energy: 1.0785369610765785
Energy: 1.5790760295312845
Energy: 1.707904661755412
Energy: 1.5790760295318376
Energy: 1.4533257674562121
Energy: 1.5832789949861175
Energy: 1.0800430698546877
Energy: 1.5832789949855643
Energy: 1.4533257674462527
Energy: 1.5832789949855643
Energy: 1.6499123737394308
Energy: 1.5985916194051728
Energy: 1.3746678013456792
Energy: 1.5985916194046197
Energy: 1.6499123737388772
Energy: 1.5985916194046197
Energy: 1.650673028618957
Energy: 1.5294733790986277
Energy: 1.0976083739889315
Energy: 1.5294733790997341
Energy: 1.6506730286206173
Energy: 1.529473379099181
Energy: 1.6428210659166864
Energy: 1.5777397213889903
Energy: 1.1688215317492907
Energy: 1.577739721388437
Energy: 1.6428210659177929
Energy: 1.5777397213889903
Energy: 1.6064855243813059
Energy: 1.5840954680816155
Energy: 1.2017688577792096
Energy: 1.5840954680810622
Energy: 1.6064855243813059
Energy: 1.5840954680816155
Energy: 1.5998323165963078
Energy: 1.5559251625171155
Energy: 1.5536519639758282
Energy: 1.5559251625171155
Energy: 1.5998323165974144
Energy: 1.555925162516562
Energy: 1.5975129832913961
Energy: 1.5329613012676122
Energy: 1.24236490184073
Energy: 1.532961301267059
Energy: 1.5975129832913961
Energy: 1.5329613012681658
Energy: 1.225217775248724
Energy: 1.53204621615059
Energy: 1.382116770863325
Energy: 1.53204621615059
Energy: 1.225217775248724
Energy: 1.53204621615059
Energy: 1.5670496130619231
Energy: 1.5840684975527115
Energy: 1.5969359829544085
Energy: 1.5840684975527115
Energy: 1.56704961306137
Energy: 1.5840684975521582
Energy: 1.1986040917566783
Energy: 1.446570184737948
Energy: 1.5750761980976133
Energy: 1.4465701847373946
Energy: 1.1986040917566783
Energy: 1.4465701847373946
Energy: 1.1987987245726723
Energy: 1.5539398921279859
Energy: 1.6388361892125447
Energy: 1.553939892128539
Energy: 1.1987987245726723
Energy: 1.553939892128539
Energy: 1.0965930550790326
Energy: 1.370971569331771
Energy: 1.6074221151671348
Energy: 1.370971569333431
Energy: 1.0965930550784795
Energy: 1.370971569331771
Energy: 1.1848602207027101
Energy: 1.5895161918313203
Energy: 1.652149679033312
Energy: 1.5895161918307672
Energy: 1.1848602207032635
Energy: 1.5895161918307672
Energy: 1.0959335236569918
Energy: 1.3379948594873565
Energy: 1.5164453813725312
Energy: 1.3379948594906763
Energy: 1.095933523657545
Energy: 1.3379948594884632
Energy: 1.084000207890339
Energy: 1.6134052357879158
Energy: 1.9660548548401153
Energy: 1.6134052357873625
Energy: 1.0840002078892326
Energy: 1.6134052357868094
Energy: 1.0928617985188103
Energy: 1.1577725898863498
Energy: 1.5445446624117127
Energy: 1.1577725898874565
Energy: 1.0928617985182572
Energy: 1.157772589884137
Energy: 1.1732447755646636
Energy: 1.5896772331245363
Energy: 1.6522429433574932
Energy: 1.5896772331250897
Energy: 1.1732447755646636
Energy: 1.5896772331245363
Energy: 1.1051706195918887
Energy: 1.155966273370908
Energy: 1.5167284762318596
Energy: 1.155966273371461
Energy: 1.1051706195918887
Energy: 1.155966273371461
Energy: 1.1742762430985576
Energy: 1.5538833847324967
Energy: 1.638771889041665
Energy: 1.553883384733603
Energy: 1.1742762430985576
Energy: 1.55388338473305
Energy: 1.2053702855914694
Energy: 1.422494181308003
Energy: 1.6079480987691086
Energy: 1.422494181308003
Energy: 1.2053702855909159
Energy: 1.4224941813085559
Energy: 1.5613494278310578
Energy: 1.5297658519899686
Energy: 1.5967474772012082
Energy: 1.5297658519894153
Energy: 1.5613494278310578
Energy: 1.5297658519894153

minimum gb energy = 1.0785369610765785 eV
minimum distance =  2.0891414618099 Angstroms
sigma value = 81


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

Energy: 1.9336122182992443
Energy: 1.847908522161904
Energy: 1.3967168464325563
Energy: 1.8479085221611444
Energy: 1.9336122182984847
Energy: 1.847908522161904
Energy: 1.8146887543037442
Energy: 1.1961922401841092
Energy: 1.2285621913946403
Energy: 1.196192240185628
Energy: 1.8146887543037442
Energy: 1.1961922401848686
Energy: 1.9727442306026344
Energy: 1.7947577784814996
Energy: 1.3914270335835317
Energy: 1.794757778482259
Energy: 1.9727442306033938
Energy: 1.794757778482259
Energy: 1.7766151419500795
Energy: 1.1912687172542027
Energy: 1.228467836972612
Energy: 1.1912687172542027
Energy: 1.7766151419500795
Energy: 1.1912687172542027
Energy: 1.311744300479867
Energy: 1.6329147653399985
Energy: 1.3507179223508388
Energy: 1.6329147653399985
Energy: 1.311744300479867
Energy: 1.6329147653399985
Energy: 1.4761413067879159
Energy: 1.6167355390162526
Energy: 1.2388926875570725
Energy: 1.6167355390147338
Energy: 1.4761413067879159
Energy: 1.6167355390162526
Energy: 1.2551179467287874
Energy: 1.6154069361625554
Energy: 1.2408817089664712
Energy: 1.6154069361625554
Energy: 1.2551179467287874
Energy: 1.6154069361625554
Energy: 1.1905200014729012
Energy: 1.6350840923489196
Energy: 1.296439409303299
Energy: 1.6350840923489196
Energy: 1.1905200014729012
Energy: 1.6350840923481604
Energy: 1.2305563042821233
Energy: 1.4351974704573447
Energy: 1.653182240106513
Energy: 1.435197470455826
Energy: 1.2305563042828829
Energy: 1.4351974704588635
Energy: 1.2003232759343794
Energy: 1.7829119959977917
Energy: 1.2933574859197763
Energy: 1.7829119959970323
Energy: 1.2003232759343794
Energy: 1.7829119959977917
Energy: 1.203352562723866
Energy: 1.4136316542018026
Energy: 1.8486719935599252
Energy: 1.4136316542010432
Energy: 1.203352562723866
Energy: 1.4136316542010432
Energy: 1.1901818820682613
Energy: 1.8390041003451052
Energy: 1.3885606338953358
Energy: 1.8390041003451052
Energy: 1.1901818820675019
Energy: 1.8390041003451052
Energy: 1.2310047275535787
Energy: 1.7681801656532166
Energy: 1.7767789534095975
Energy: 1.768180165652457
Energy: 1.2310047275535787
Energy: 1.768180165652457
Energy: 1.1916568370506455
Energy: 1.78292397931243
Energy: 1.2935481981983648
Energy: 1.78292397931243
Energy: 1.1916568370521645
Energy: 1.78292397931243
Energy: 1.2049011284040732
Energy: 1.7674849392503273
Energy: 1.513934922210139
Energy: 1.7674849392510867
Energy: 1.2049011284040732
Energy: 1.7674849392510867
Energy: 1.2326824384463022
Energy: 1.832731991200642
Energy: 1.2965520044355507
Energy: 1.832731991200642
Energy: 1.2326824384463022
Energy: 1.8327319911998825
Energy: 1.2310444456806677
Energy: 1.6924230697130997
Energy: 1.7355546634667212
Energy: 1.6924230697130997
Energy: 1.2310444456806677
Energy: 1.6924230697130997
Energy: 1.236581989724953
Energy: 1.7834235691733438
Energy: 1.2384814276349012
Energy: 1.7834235691733438
Energy: 1.2365819897257126
Energy: 1.783423569174103
Energy: 1.23625197452239
Energy: 1.759623743824632
Energy: 1.1908232566410373
Energy: 1.7596237438238727
Energy: 1.23625197452239
Energy: 1.759623743824632
Energy: 1.2940912813174283
Energy: 1.833300739742064
Energy: 1.228714042753659
Energy: 1.833300739742064
Energy: 1.2940912813174283
Energy: 1.833300739742064
Energy: 1.2940837636478393
Energy: 1.8181564069433156
Energy: 1.6212387442500635
Energy: 1.8181564069433156
Energy: 1.2940837636478393
Energy: 1.8181564069433156
Energy: 1.8496050085464941
Energy: 1.7856568202469636
Energy: 1.1904832941463441
Energy: 1.7856568202462044
Energy: 1.8496050085457347
Energy: 1.7856568202462044
Energy: 1.849999463899261
Energy: 1.784934535499129
Energy: 1.1904590248660092
Energy: 1.784934535499129
Energy: 1.849999463899261
Energy: 1.784934535499129
Energy: 1.2941489377055144
Energy: 1.818164594757798
Energy: 1.490022026975895
Energy: 1.8181645947570386
Energy: 1.2941489377055144
Energy: 1.818164594757798
Energy: 1.2942806966806593
Energy: 1.833227771550368
Energy: 1.2285493523922097
Energy: 1.8332277715496086
Energy: 1.2942806966806593
Energy: 1.833227771550368
Energy: 1.2362314606370284
Energy: 1.7597066281452476
Energy: 1.1908077839585283
Energy: 1.7597066281444882
Energy: 1.2362314606370284
Energy: 1.7597066281444882
Energy: 1.2364404375322893
Energy: 1.7834573307136345
Energy: 1.2384918040214943
Energy: 1.7834573307136345
Energy: 1.2364404375322893
Energy: 1.7834573307136345
Energy: 1.2310611115536125
Energy: 1.6924647156356876
Energy: 1.476959156115096
Energy: 1.6924647156356876
Energy: 1.2310611115536125
Energy: 1.6924647156356876
Energy: 1.2326817718834655
Energy: 1.833503536655456
Energy: 1.2965271423329436
Energy: 1.833503536655456
Energy: 1.232681771882706
Energy: 1.8335035366562151
Energy: 1.2049035517338609
Energy: 1.7674849392526055
Energy: 1.5084596094333271
Energy: 1.7674849392526055
Energy: 1.2049035517346203
Energy: 1.7674849392526055
Energy: 1.191665338821975
Energy: 1.7828763678049442
Energy: 1.2936586843394884
Energy: 1.7828763678049442
Energy: 1.1916653388212157
Energy: 1.7828763678049442
Energy: 1.2308477068100712
Energy: 1.7681836721975328
Energy: 1.5446113961628274
Energy: 1.7681836721975328
Energy: 1.2308477068100712
Energy: 1.7681836721975328
Energy: 1.1902051641619742
Energy: 1.8389763972780253
Energy: 1.3730882139531781
Energy: 1.8389763972780253
Energy: 1.1902051641604554
Energy: 1.8389763972780253
Energy: 1.2032172392564249
Energy: 1.4135211682891586
Energy: 1.8490539577333525
Energy: 1.4135211682891586
Energy: 1.2032172392556655
Energy: 1.4135211682891586
Energy: 1.2003232759305822
Energy: 1.7828931397552363
Energy: 1.2933763730347556
Energy: 1.7828931397552363
Energy: 1.2003232759305822
Energy: 1.7828931397552363
Energy: 1.2305515631237411
Energy: 1.4351142821481342
Energy: 1.526645421048364
Energy: 1.4351142821481342
Energy: 1.2305515631245005
Energy: 1.4351142821481342
Energy: 1.1904382161875315
Energy: 1.6350643875417452
Energy: 1.2964858365447511
Energy: 1.6350643875417452
Energy: 1.1904382161875315
Energy: 1.6350643875417452
Energy: 1.2551056523547457
Energy: 1.6154261478128928
Energy: 1.2408598030191462
Energy: 1.6154261478121335
Energy: 1.255105652355505
Energy: 1.6154261478121335

minimum gb energy = 1.1901818820675019 eV
minimum distance =  1.98587280983864 Angstroms
sigma value = 43


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

Energy: 2.262426463174797
Energy: 2.0055541284136873
Energy: 1.6694414987767878
Energy: 2.005554128410889
Energy: 2.262426463174797
Energy: 2.005554128417419
Energy: 1.3225593886268951
Energy: 1.283836657343608
Energy: 1.332754752137778
Energy: 1.283836657343608
Energy: 1.3225593886278277
Energy: 1.283836657343608
Energy: 1.4616853034972332
Energy: 1.820872461184598
Energy: 1.2737082939668463
Energy: 1.8208724611734257
Energy: 1.4616853034972332
Energy: 1.820872461166896
Energy: 1.6445421902136488
Energy: 1.2944976989608652
Energy: 1.3325214527740503
Energy: 1.294497698961798
Energy: 1.6445421902136488
Energy: 1.294497698961798
Energy: 1.356220333428399
Energy: 1.7857688043368027
Energy: 1.2742580481744243
Energy: 1.7857688043377358
Energy: 1.3562203334228022
Energy: 1.7857688043368027
Energy: 1.2738793332316463
Energy: 1.7886846675453154
Energy: 1.3424249891440059
Energy: 1.7886846675453154
Energy: 1.2738793332316463
Energy: 1.7886846675443824
Energy: 1.3310933215048553
Energy: 1.5857530425304562
Energy: 1.3453070331855552
Energy: 1.5857530425304562
Energy: 1.3310933215039225
Energy: 1.5857530425313893
Energy: 1.2834331218589468
Energy: 1.8242593235627975
Energy: 1.4322733867282353
Energy: 1.82425932356373
Energy: 1.2834331218561483
Energy: 1.82425932356373
Energy: 1.2839513581786264
Energy: 1.5445719536519078
Energy: 1.3231447773199514
Energy: 1.5445719536519078
Energy: 1.2839513581786264
Energy: 1.5445719536519078
Energy: 1.2738331198229151
Energy: 1.9815204138755083
Energy: 1.4346249389064438
Energy: 1.9815204138755083
Energy: 1.2738331198229151
Energy: 1.9815204138885676
Energy: 1.331077302812506
Energy: 1.895067973622645
Energy: 1.3226724908876297
Energy: 1.8950679736095857
Energy: 1.331077302812506
Energy: 1.8950679736245106
Energy: 1.2743327766494843
Energy: 1.8242198488668064
Energy: 1.4489965276939474
Energy: 1.8242198488677395
Energy: 1.2743327766485515
Energy: 1.8242198488668064
Energy: 1.2734133386767517
Energy: 1.2738092917738535
Energy: 1.634446538803608
Energy: 1.2738092917738535
Energy: 1.2734133386767517
Energy: 1.2738092917738535
Energy: 1.324590635912106
Energy: 1.9958440569083307
Energy: 1.3427735968193717
Energy: 1.9958440569083307
Energy: 1.324590635912106
Energy: 1.9958440569083307
Energy: 1.3333534563466056
Energy: 1.7865111907428508
Energy: 1.2735457443693912
Energy: 1.7865111907419178
Energy: 1.3333534563466056
Energy: 1.7865111907419178
Energy: 1.3317755550686468
Energy: 1.5850069335984058
Energy: 1.3328249231745966
Energy: 1.5850069335984058
Energy: 1.3317755550686468
Energy: 1.5850069335984058
Energy: 1.3291614473140254
Energy: 1.912344115121306
Energy: 1.9862462883321104
Energy: 1.912344115121306
Energy: 1.3291614473140254
Energy: 1.912344115121306
Energy: 1.4383378741399309
Energy: 1.99580749812601
Energy: 1.273700758940047
Energy: 1.99580749812601
Energy: 1.4383378741427295
Energy: 1.99580749812601
Energy: 1.4385431894777618
Energy: 1.981787728626006
Energy: 1.273117166582011
Energy: 1.981787728626006
Energy: 1.4385431894777618
Energy: 1.981787728625073
Energy: 1.3315508083459764
Energy: 1.9365730563752308
Energy: 1.3330281213547301
Energy: 1.9365730563752308
Energy: 1.3315508083459764
Energy: 1.9365730563752308
Energy: 1.330306701720108
Energy: 2.083510429274666
Energy: 1.3343856638750278
Energy: 2.083510429274666
Energy: 1.330306701720108
Energy: 2.083510429274666
Energy: 1.323651323751822
Energy: 1.7869872780807567
Energy: 1.2742397896003037
Energy: 1.7869872780816898
Energy: 1.323651323751822
Energy: 1.7869872780807567
Energy: 1.3255088639146226
Energy: 1.9823504096738227
Energy: 1.3397182813430473
Energy: 1.98235040967289
Energy: 1.3255088639146226
Energy: 1.98235040967289
Energy: 1.2732043018646557
Energy: 1.895981673293363
Energy: 1.323807396362388
Energy: 1.8959816732942958
Energy: 1.2732043018646557
Energy: 1.895981673293363
Energy: 1.274904042020998
Energy: 2.083911621076344
Energy: 1.4323897774394576
Energy: 2.083911621076344
Energy: 1.274904042020998
Energy: 2.0839116210772772
Energy: 1.3312767396195035
Energy: 1.9638751534737064
Energy: 1.3228951529240558
Energy: 1.9638751534737064
Energy: 1.3312767396204366
Energy: 1.9638751534737064
Energy: 1.2737127239957247
Energy: 1.9824877826390115
Energy: 1.4459627107989292
Energy: 1.9824877826390115
Energy: 1.2737127239957247
Energy: 1.9824877826390115
Energy: 1.2731272346669307
Energy: 1.9951673983177936
Energy: 1.4428769590573267
Energy: 1.9951673983177936
Energy: 1.273127234667863
Energy: 1.9951673983177936
Energy: 1.2865062601518176
Energy: 1.821525828092335
Energy: 1.4462067904907134
Energy: 1.821525828092335
Energy: 1.2865062601518176
Energy: 1.821525828092335
Energy: 1.3314725644503644
Energy: 1.584628272187911
Energy: 1.3228369174467287
Energy: 1.584628272187911
Energy: 1.3314725644503644
Energy: 1.584628272187911
Energy: 1.2737320469491198
Energy: 1.7898364788422838
Energy: 1.3390946552348832
Energy: 1.7898364788227161
Energy: 1.2737320469491198
Energy: 1.789836478823649

minimum gb energy = 1.273117166582011 eV
minimum distance =  1.9889183971892 Angstroms
sigma value = 57


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

Energy: 1.636913308493508
Energy: 2.1003157743718117
Energy: 1.7893618511732023
Energy: 2.100315774383889
Energy: 1.636913308493508
Energy: 2.1003157743814733
Energy: 1.4562670000649875
Energy: 1.4022370894557605
Energy: 1.4635196777488222
Energy: 1.402237089453345
Energy: 1.4562670000649875
Energy: 1.4022370894569682
Energy: 1.481778078433006
Energy: 2.0403103239850875
Energy: 1.5937234735710055
Energy: 2.0403103239850875
Energy: 1.481778078433006
Energy: 2.0403103239850875
Energy: 1.424766421278267
Energy: 1.3929818695446885
Energy: 1.4640552145583463
Energy: 1.3929818695446885
Energy: 1.4247664212794748
Energy: 1.3929818695446885
Energy: 1.4604518584365307
Energy: 1.4005843078424085
Energy: 1.664862502287251
Energy: 1.4005843078424085
Energy: 1.4604518584365307
Energy: 1.4005843078424085
Energy: 1.3870578805359601
Energy: 2.041890964289263
Energy: 1.471498921118417
Energy: 2.041890964288055
Energy: 1.3870578805359601
Energy: 2.041890964288055
Energy: 1.3912050493651642
Energy: 1.7302748440171158
Energy: 1.4667393947711074
Energy: 1.7302748440171158
Energy: 1.391205049366372
Energy: 1.7302748440171158
Energy: 1.3839365771878023
Energy: 2.10228370553847
Energy: 1.6287777126424194
Energy: 2.10228370553847
Energy: 1.3839365771878023
Energy: 2.10228370553847
Energy: 1.460590937879359
Energy: 1.4016454300231398
Energy: 1.3999693040529386
Energy: 1.4016454300231398
Energy: 1.4605909378805666
Energy: 1.4016454300231398
Energy: 1.3854969982186418
Energy: 2.0420301849847955
Energy: 1.4718506207515207
Energy: 2.0420301849847955
Energy: 1.3854969982186418
Energy: 2.0420301849847955
Energy: 1.3929724255487939
Energy: 1.385572447591617
Energy: 1.3868130258342357
Energy: 1.3855724475928246
Energy: 1.3929724255487939
Energy: 1.385572447591617
Energy: 1.4565492798267001
Energy: 1.7954787253974835
Energy: 1.4642620841849574
Energy: 1.7954787253974835
Energy: 1.4565492798254922
Energy: 1.7954787253974835
Energy: 1.4628642586629403
Energy: 2.0446575970512453
Energy: 1.4024243253405224
Energy: 2.0446575970512453
Energy: 1.462864258664148
Energy: 2.0446575970512453
Energy: 1.4564763990978926
Energy: 1.729296674426735
Energy: 1.3840267357625256
Energy: 1.729296674426735
Energy: 1.456476399096685
Energy: 1.729296674426735
Energy: 1.4552934387124876
Energy: 2.1007750372854397
Energy: 1.3870603936504438
Energy: 2.1007750372842318
Energy: 1.4552934387136953
Energy: 2.1007750372842318
Energy: 1.4572046983753384
Energy: 2.1646054922663653
Energy: 1.4631842408241706
Energy: 2.1646054922663653
Energy: 1.4572046983753384
Energy: 2.1646054922663653
Energy: 1.4609617024950587
Energy: 2.1004747231820793
Energy: 1.3842930870371941
Energy: 2.100474723179664
Energy: 1.4609617024962667
Energy: 2.100474723180872
Energy: 1.3846482436451866
Energy: 1.7397137647082892
Energy: 1.3844922046059924
Energy: 1.7397137647070813
Energy: 1.3846482436451866
Energy: 1.7397137647070813
Energy: 1.384326395908861
Energy: 2.105443557213531
Energy: 1.4609973587394998
Energy: 2.105443557213531
Energy: 1.384326395908861
Energy: 2.105443557213531
Energy: 1.463188776909762
Energy: 2.1646353934006624
Energy: 1.457172596228794
Energy: 2.1646353934006624
Energy: 1.463188776909762
Energy: 2.1646353933994824
Energy: 1.3870615938817574
Energy: 2.1005845398150265
Energy: 1.4552684509066347
Energy: 2.1005845398150265
Energy: 1.3870615938817574
Energy: 2.1005845398150265
Energy: 1.3839896245661882
Energy: 1.8134193262255816
Energy: 1.4563936268806625
Energy: 1.8134193262255816
Energy: 1.3839896245661882
Energy: 1.8134193262255816
Energy: 1.3875698965221432
Energy: 2.044666040243314
Energy: 1.4630472387256546
Energy: 2.044666040243314
Energy: 1.3875698965221432
Energy: 2.044666040243314
Energy: 1.4642697154276187
Energy: 1.7954828228203457
Energy: 1.4565328190730682
Energy: 1.7954828228203457
Energy: 1.4642697154276187
Energy: 1.7954828228203457

minimum gb energy = 1.3839365771878023 eV
minimum distance =  1.99412549523014 Angstroms
sigma value = 17


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

Energy: 1.670777083561883
Energy: 1.6706708563757542
Energy: 1.6284493303567356
Energy: 1.6706708563757542
Energy: 1.670777083561883
Energy: 1.6706708563842945
Energy: 1.5690236825579127
Energy: 1.5235836165782044
Energy: 1.5232652914213138
Energy: 1.5235836165782044
Energy: 1.5690236825596207
Energy: 1.5235836165782044
Energy: 1.5303192312590201
Energy: 1.5327850790222721
Energy: 1.5228292867678046
Energy: 1.5327850790239803
Energy: 1.5303192312590201
Energy: 1.5327850790222721
Energy: 1.5383163700430813
Energy: 1.527876462161216
Energy: 1.528520309840998
Energy: 1.527876462161216
Energy: 1.5383163700430813
Energy: 1.5278764621629242
Energy: 1.5251606768298762
Energy: 1.522291472484787
Energy: 1.9513773076914351
Energy: 1.5222914724830787
Energy: 1.5251606768298762
Energy: 1.5222914724830787
Energy: 1.5286747569082322
Energy: 1.6700655879846924
Energy: 1.6702862704108894
Energy: 1.6700655879864004
Energy: 1.5286747569082322
Energy: 1.6700655879864004
Energy: 1.5244740658792901
Energy: 1.562518392199902
Energy: 1.5779384140164812
Energy: 1.5625183921982329
Energy: 1.5244740658792901
Energy: 1.562518392199902
Energy: 1.5188814856325874
Energy: 2.144222049481829
Energy: 1.5288916391885916
Energy: 2.144222049481829
Energy: 1.5188814856325874
Energy: 2.1442220494801214
Energy: 1.52353961579156
Energy: 1.5222007980135792
Energy: 1.5213639405425978
Energy: 1.5222007980135792
Energy: 1.52353961579156
Energy: 1.5222007980135792
Energy: 1.6673230664379135
Energy: 1.5717373694770198
Energy: 1.5184769773099085
Energy: 1.5717373694770198
Energy: 1.6673230664379135
Energy: 1.5717373694770198
Energy: 1.6687828541836363
Energy: 2.4065740251371723
Energy: 1.5182120396643655
Energy: 2.4065740251371723
Energy: 1.6687828541836363
Energy: 2.4065740251371723
Energy: 1.5186325679946313
Energy: 2.019472560047766
Energy: 1.5262503485888856
Energy: 2.019472560047766
Energy: 1.5186325679946313
Energy: 2.019472560047766
Energy: 1.523818370007667
Energy: 2.146412204816793
Energy: 1.5198241850950358
Energy: 2.146412204816793
Energy: 1.5238183700059593
Energy: 2.146412204816793
Energy: 1.519593871190095
Energy: 1.5192043929422603
Energy: 1.5188212869270283
Energy: 1.5192043929422603
Energy: 1.519593871191803
Energy: 1.5192043929422603
Energy: 1.5190117623258095
Energy: 1.9963749155633792
Energy: 1.66891613189999
Energy: 1.9963749155633792
Energy: 1.5190117623258095
Energy: 1.9963749155633792
Energy: 1.5183404645706564
Energy: 2.406707445616646
Energy: 1.6678540070017183
Energy: 2.4067074456183546
Energy: 1.5183404645706564
Energy: 2.4067074456183546
Energy: 1.5252958667939691
Energy: 1.5185658351151803
Energy: 1.5197076851460571
Energy: 1.5185658351151803
Energy: 1.5252958667939691
Energy: 1.5185658351151803

minimum gb energy = 1.5182120396643655 eV
minimum distance =  2.10400279521136 Angstroms
sigma value = 17


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

Energy: 2.3407699733925456
Energy: 2.437875222136095
Energy: 2.0672696984726056
Energy: 2.437875222136095
Energy: 2.3407699733925456
Energy: 2.437875222136095
Energy: 2.029461205500951
Energy: 1.5861293124693654
Energy: 1.6134503195639067
Energy: 1.5861293124680458
Energy: 2.02946120550227
Energy: 1.5861293124687055
Energy: 1.6626565554086061
Energy: 1.6739903788022508
Energy: 1.6454159537801416
Energy: 1.6739903788022508
Energy: 1.6626565554086061
Energy: 1.6739903788022508
Energy: 1.6170793926911107
Energy: 2.0522234968611754
Energy: 1.7237688248483505
Energy: 2.0522234968611754
Energy: 1.6170793926904512
Energy: 2.052223496861835
Energy: 1.6145626197503007
Energy: 1.5820242588083133
Energy: 2.0404572129192533
Energy: 1.5820242588083133
Energy: 1.6145626197503007
Energy: 1.5820242588089728
Energy: 1.6465604558218498
Energy: 2.099957607067727
Energy: 1.7963356209313541
Energy: 2.099957607067068
Energy: 1.6465604558225095
Energy: 2.099957607067727
Energy: 1.6137036973911856
Energy: 1.6450450802425542
Energy: 1.682475229347412
Energy: 1.6450450802418948
Energy: 1.6137036973911856
Energy: 1.6450450802425542
Energy: 2.1869922875132697
Energy: 1.838434106732384
Energy: 1.6132661435095386
Energy: 1.8384341067317245
Energy: 2.186992287513929
Energy: 1.8384341067337033
Energy: 1.7964950141889307
Energy: 2.101037784150018
Energy: 1.5866504595578381
Energy: 2.101037784148039
Energy: 1.7964950141889307
Energy: 2.101037784148039
Energy: 1.6755563977577475
Energy: 1.6103704122640576
Energy: 1.6145267156974883
Energy: 1.5832230767591942
Energy: 1.675556397756428
Energy: 1.6103704122640576
Energy: 1.7239947703324228
Energy: 2.2563865729150057
Energy: 1.6742393742674464
Energy: 2.2563865729150057
Energy: 1.7239947703317633
Energy: 2.256386572915665
Energy: 1.5860963081212072
Energy: 2.0295114750617542
Energy: 1.6656816528011928
Energy: 2.0295114750617542
Energy: 1.5860963081212072
Energy: 2.0295114750617542
Energy: 1.6154821477180854
Energy: 1.8590496348910808
Energy: 2.3929310001541335
Energy: 1.859049634890421
Energy: 1.6154821477180854
Energy: 1.8590496348910808
Energy: 1.5906302519060054
Energy: 2.438997813853538
Energy: 2.381643247851789
Energy: 2.438997813853538
Energy: 1.5906302519066648
Energy: 2.438997813853538
Energy: 1.595198180880358
Energy: 2.1982956372292826
Energy: 1.673976964088926
Energy: 2.1982956372299416
Energy: 1.5951981808810176
Energy: 2.1982956372286226
Energy: 1.7321381734319792
Energy: 2.0454347327441083
Energy: 1.6661786127289056
Energy: 2.207809199102107
Energy: 1.7321381734319792
Energy: 2.0454347327421294
Energy: 1.7271504521226024
Energy: 1.6136603095508921
Energy: 1.586775650927384
Energy: 1.613660309549573
Energy: 1.7271504521226024
Energy: 1.6136603095489133
Energy: 2.320877751523254
Energy: 2.0480868139033075
Energy: 1.5874836510488644
Energy: 2.048086813901988
Energy: 2.3208777515239136
Energy: 2.048086813902648
Energy: 2.1595227179650394
Energy: 2.0706714059782003
Energy: 1.6150158021881085
Energy: 2.070671405976911
Energy: 2.1595227179650394
Energy: 2.0706714059762517
Energy: 1.6133256058611125
Energy: 2.13297365113669
Energy: 1.613342855629903
Energy: 1.9760502285150026
Energy: 1.6133256058617724
Energy: 2.132973651137349
Energy: 1.6150084568549397
Energy: 2.070521755015236
Energy: 2.318687759008982
Energy: 2.070521755015236
Energy: 1.6150084568542802
Energy: 2.070521755015896
Energy: 1.5874736615985088
Energy: 2.04861407677279
Energy: 2.3213019413390072
Energy: 2.0486140767721306
Energy: 1.5874736615985088
Energy: 2.048614076771471
Energy: 1.5932250388647953
Energy: 1.6133197614512662
Energy: 1.7271420187025377
Energy: 1.6133197614512662
Energy: 1.5932250388654547
Energy: 1.613319761449947
Energy: 1.6662082676645362
Energy: 1.9160255194068696
Energy: 1.7321999724342014
Energy: 1.9160255194055504
Energy: 1.6662082676639065
Energy: 1.9160255194015927
Energy: 1.6740189009320339
Energy: 2.1959469889945393
Energy: 1.5894955834347984
Energy: 2.1959469889938794
Energy: 1.6740189009313744
Energy: 2.1959469889938794
Energy: 2.3816001803376348
Energy: 2.4389642924698434
Energy: 1.5906112125275198
Energy: 2.4389642924698434
Energy: 2.3816001803376348
Energy: 2.4389642924698434
Energy: 2.3962072950533178
Energy: 1.8590554875006549
Energy: 1.6154980085060433
Energy: 1.8590554875006549
Energy: 2.396207295052658
Energy: 1.8590554875006549
Energy: 1.6656928473292176
Energy: 2.0295225929606575
Energy: 1.5860601026918462
Energy: 2.029522592961317
Energy: 1.665692847328558
Energy: 2.029522592961317
Energy: 1.6743012052002255
Energy: 2.256597370814109
Energy: 1.7239955639231925
Energy: 2.25659737081279
Energy: 1.6743012051989066
Energy: 2.25659737081279
Energy: 1.6145479119585957
Energy: 1.6127584979338327
Energy: 1.67516522442522
Energy: 1.6127584979338327
Energy: 1.6145479119592552
Energy: 1.6127584979358116
Energy: 1.586839958085262
Energy: 2.1011794402407804
Energy: 1.7965524633615348
Energy: 2.1011794402407804
Energy: 1.586839958085262
Energy: 2.1011794402407804
Energy: 1.6134231168844921
Energy: 1.838299994319918
Energy: 2.187023329794033
Energy: 1.8382999943192586
Energy: 1.6134231168851518
Energy: 1.838299994319918
Energy: 1.6827455652388712
Energy: 1.6450256584153813
Energy: 1.613766007405603
Energy: 1.6450256584153813
Energy: 1.6827455652375523
Energy: 1.6450256584153813
Energy: 1.7962600251593976
Energy: 2.099929909380627
Energy: 1.646538158944552
Energy: 2.099929909380627
Energy: 1.796260025158738
Energy: 2.099929909380627
Energy: 2.0429456479986787
Energy: 1.5820242588083133
Energy: 1.6145590116430242
Energy: 1.5820242588076538
Energy: 2.0429456479993378
Energy: 1.5820242588089728
Energy: 1.723752890100134
Energy: 2.052375280546717
Energy: 1.6170308725712819
Energy: 2.0523752805473765
Energy: 1.723752890099474
Energy: 2.0523752805473765
Energy: 1.6454624750179438
Energy: 1.6740028389376054
Energy: 1.662666620832058
Energy: 1.6740028389376054
Energy: 1.6454624750179438
Energy: 1.6740028389376054
Energy: 1.6134774049452676
Energy: 1.5860787889004893
Energy: 2.030236521899743
Energy: 1.5860787889011487
Energy: 1.6134774049452676
Energy: 1.5860787888998291
Energy: 1.6172453773627444
Energy: 2.437875222135435
Energy: 2.3407699733925456
Energy: 2.437875222135435
Energy: 1.617245377391077
Energy: 2.437875222135435
Energy: 1.6134503195645664
Energy: 1.5861293124687055
Energy: 2.02946120550161
Energy: 1.5861293124687055
Energy: 1.6134503195645664
Energy: 1.5861293124693654
Energy: 1.6454159537801416
Energy: 1.6739903788022508
Energy: 1.6626565554079464
Energy: 1.6739903788029107
Energy: 1.6454159537794817
Energy: 1.6739903788022508
Energy: 1.72376882484901
Energy: 2.0522234968611754
Energy: 1.6170793926897917
Energy: 2.052223496861835
Energy: 1.72376882484901
Energy: 2.052223496861835
Energy: 2.0404572129192533
Energy: 1.5820242588089728
Energy: 1.6145626197516199
Energy: 1.5820242588089728
Energy: 2.0404572129185934
Energy: 1.5820242588083133

minimum gb energy = 1.5820242588076538 eV
minimum distance =  2.05032046034025 Angstroms
sigma value = 57


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

Energy: 2.080050021506063
Energy: 2.4204728400265374
Energy: 2.2892367920810397
Energy: 2.4204728400265374
Energy: 2.080050021506063
Energy: 2.4204728400265374
Energy: 1.7762346265949922
Energy: 1.622180468397633
Energy: 1.622466312049751
Energy: 1.622180468396559
Energy: 1.7762346265939182
Energy: 1.622180468397633
Energy: 1.6814894437435133
Energy: 1.854322613521361
Energy: 1.719535597063741
Energy: 1.854322613521361
Energy: 1.6814894437435133
Energy: 1.854322613521361
Energy: 1.878494652410375
Energy: 1.9130690199590599
Energy: 1.9763005291368279
Energy: 1.9130690199579858
Energy: 1.878494652410375
Energy: 1.9130690199579858
Energy: 1.6326682056006143
Energy: 1.6152068429759887
Energy: 2.0240794901987567
Energy: 1.6152068429759887
Energy: 1.6326682056006143
Energy: 1.6152068429759887
Energy: 1.9435508107329305
Energy: 1.9130192334409482
Energy: 1.9763539967858563
Energy: 1.9130192334409482
Energy: 1.9435508107329305
Energy: 1.9130192334398743
Energy: 1.6825778650021834
Energy: 1.854533734017322
Energy: 1.8012410333712963
Energy: 1.854533734015174
Energy: 1.6825778650011094
Energy: 1.8545337340162478
Energy: 1.9795232471941586
Energy: 1.6888171226266393
Energy: 1.6227068356610972
Energy: 1.6888171226266393
Energy: 1.9795232471952326
Energy: 1.688817122627713
Energy: 1.8172031629813978
Energy: 2.306659316280467
Energy: 1.622221964408842
Energy: 2.306659316280467
Energy: 1.8172031629824719
Energy: 2.306659316280467
Energy: 1.9375375384223599
Energy: 1.6222762143136868
Energy: 1.6233597246850708
Energy: 1.6222762143136868
Energy: 1.9375375384223599
Energy: 1.6222762143136868
Energy: 1.6826543246314998
Energy: 2.1570513842043577
Energy: 1.9773441200812836
Energy: 2.157051384203284
Energy: 1.6826543246325736
Energy: 2.1570513842043577
Energy: 1.6159885448177715
Energy: 1.7247598958925916
Energy: 1.9937488442929472
Energy: 1.7247598958915176
Energy: 1.6159885448177715
Energy: 1.7247598958925916
Energy: 1.634104979889378
Energy: 1.970903335130723
Energy: 1.9773675419760801
Energy: 1.970903335130723
Energy: 1.634104979889378
Energy: 1.970903335127501
Energy: 1.922750103141895
Energy: 2.073753328279066
Energy: 1.9938867604295716
Energy: 2.073753328279066
Energy: 1.9227501031461909
Energy: 2.0737533282779923
Energy: 1.6824225913176851
Energy: 1.663248886755462
Energy: 1.6220950050604694
Energy: 1.663248886755462
Energy: 1.682422591316611
Energy: 1.663248886756536
Energy: 2.5122666100089743
Energy: 2.074296739429031
Energy: 1.622491635721371
Energy: 2.074296739429031
Energy: 2.512266610010048
Energy: 2.074296739429031
Energy: 2.09973512426602
Energy: 2.4163407653763582
Energy: 1.622729430241025
Energy: 2.4163407653763582
Energy: 2.09973512426602
Energy: 2.4163407653763582
Energy: 1.923343429394974
Energy: 1.7539582540889116
Energy: 1.6226432284531833
Energy: 1.7539582540889116
Energy: 1.9233434293939002
Energy: 1.7539582540889116
Energy: 1.682024653179103
Energy: 1.9795697961142529
Energy: 2.0042660643926555
Energy: 1.9795697961174747
Energy: 1.682024653179103
Energy: 1.9795697961174747
Energy: 1.6671913487436263
Energy: 2.2580817934799566
Energy: 1.999057468984073
Energy: 2.2580817934799566
Energy: 1.6671913487436263
Energy: 2.2580817934799566
Energy: 1.633283137862216
Energy: 1.9714759627880682
Energy: 2.004242989990219
Energy: 1.9714759627891423
Energy: 1.633283137862216
Energy: 1.9714759627880682
Energy: 1.6814468909175126
Energy: 1.9843026519006894
Energy: 1.9990495131605752
Energy: 1.9843026518985416
Energy: 1.6814468909175126
Energy: 1.9843026519006894
Energy: 1.682280391164035
Energy: 1.9804188668018246
Energy: 1.6235053481615453
Energy: 1.9804188668018246
Energy: 1.682280391164035
Energy: 1.9804188668018246
Energy: 1.8236729508630456
Energy: 2.3861192211944484
Energy: 1.623191240933647
Energy: 2.3861192211955227
Energy: 1.8236729508630456
Energy: 2.3861192211944484
Energy: 1.8293459135995083
Energy: 2.1083654856325866
Energy: 1.622561233351885
Energy: 2.1083654856325866
Energy: 1.8293459135995083
Energy: 2.1083654856325866
Energy: 1.6813273245802396
Energy: 1.6642094904932025
Energy: 1.6222457788453368
Energy: 1.6642094904910547
Energy: 1.6813273245802396
Energy: 1.6642094904921283
Energy: 1.6814577585034183
Energy: 2.0258660081040545
Energy: 1.9956212580868176
Energy: 2.0258660081072764
Energy: 1.6814577585034183
Energy: 2.0258660081062025

minimum gb energy = 1.6152068429759887 eV
minimum distance =  1.98017227998641 Angstroms
sigma value = 43


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

Energy: 1.9446672112885306
Energy: 2.2705330039384086
Energy: 2.2839610682782183
Energy: 2.2705330039384086
Energy: 1.9446672112893129
Energy: 2.2705330039384086
Energy: 1.6987152450148089
Energy: 1.6177056117364221
Energy: 1.6619061302803282
Energy: 1.6177056117364221
Energy: 1.6987152450148089
Energy: 1.6177056117356396
Energy: 1.6614927035609472
Energy: 1.6994610762914837
Energy: 1.9265188629187133
Energy: 1.699461076290701
Energy: 1.6614927035609472
Energy: 1.699461076290701
Energy: 1.6595542306676072
Energy: 2.192116163800702
Energy: 1.8264553110244934
Energy: 2.192116163800702
Energy: 1.659554230666825
Energy: 2.192116163800702
Energy: 1.6619017609649025
Energy: 1.6124548513285455
Energy: 1.7086720168219407
Energy: 1.6124548513285455
Energy: 1.6619017609649025
Energy: 1.6124548513285455
Energy: 1.7466858998235242
Energy: 1.74470044183479
Energy: 1.7432965622387664
Energy: 1.7447004418355725
Energy: 1.7466858998243069
Energy: 1.74470044183479
Energy: 1.7442005650934669
Energy: 1.7448302747586502
Energy: 1.6186303011609724
Energy: 1.7448302747586502
Energy: 1.7442005650942494
Energy: 1.7448302747586502
Energy: 1.7865746010223076
Energy: 1.6116609440365695
Energy: 1.662166045687953
Energy: 1.6116609440365695
Energy: 1.7865746010223076
Energy: 1.6116609440373517
Energy: 1.8275242382585182
Energy: 2.192191593948676
Energy: 1.7007296112630084
Energy: 2.192191593948676
Energy: 1.8275242382585182
Energy: 2.192191593948676
Energy: 2.0068610316180706
Energy: 1.7000045590546473
Energy: 1.6616068459620041
Energy: 1.7000045590538648
Energy: 2.006861031617288
Energy: 1.7000045590538648
Energy: 1.6636321769315716
Energy: 1.6761063214765193
Energy: 2.1245742907030682
Energy: 1.6761063214765193
Energy: 1.6636321769307891
Energy: 1.6761063214765193
Energy: 1.6178294037101397
Energy: 2.271106568804813
Energy: 1.9480473295292595
Energy: 2.271106568805595
Energy: 1.6178294037101397
Energy: 2.271106568805595
Energy: 1.6615101811434407
Energy: 1.6181865539906422
Energy: 1.7009926021558541
Energy: 1.6181865539906422
Energy: 1.661510181144223
Energy: 1.6181865539906422
Energy: 1.8273660527276163
Energy: 1.934983237486028
Energy: 1.6619431634792177
Energy: 1.9349832374852454
Energy: 1.827366052728399
Energy: 1.934983237486028
Energy: 1.8315340582758792
Energy: 2.1927389052256387
Energy: 1.6185433745465474
Energy: 2.1927389052256387
Energy: 1.8315340582758792
Energy: 2.1927389052256387
Energy: 1.745442609076342
Energy: 1.702194366772226
Energy: 1.6614357276281237
Energy: 1.702194366770661
Energy: 1.745442609076342
Energy: 1.702194366772226
Energy: 1.7421592650497886
Energy: 2.0153020876412535
Energy: 1.7448685941062005
Energy: 2.015302087642036
Energy: 1.7421592650497886
Energy: 2.015302087642036
Energy: 1.6177684388168985
Energy: 1.7460499518099557
Energy: 1.7422363698148104
Energy: 1.7460499518099557
Energy: 1.6177684388168985
Energy: 1.7460499518099557
Energy: 1.6351756642147175
Energy: 1.6177831014039306
Energy: 1.826799275726596
Energy: 1.6177831014023656
Energy: 1.6351756642139348
Energy: 1.6177831014031478
Energy: 1.6612438597710246
Energy: 2.386754237425679
Energy: 1.8274515711216162
Energy: 2.386754237427244
Energy: 1.6612438597710246
Energy: 2.386754237427244
Energy: 1.6611095574401185
Energy: 1.7012038228172552
Energy: 1.6174491436060283
Energy: 1.7012038228172552
Energy: 1.6611095574401185
Energy: 1.7012038228172552
Energy: 2.502112681992593
Energy: 1.6969591342155237
Energy: 1.6615986403730205
Energy: 1.6969591342147412
Energy: 2.502112681992593
Energy: 1.6969591342163062
Energy: 2.2146824444544824
Energy: 2.070501541182052
Energy: 1.6175886181245789
Energy: 2.0705015411828347
Energy: 2.2146824444544824
Energy: 2.0705015411844
Energy: 1.661070931682459
Energy: 2.203084332018626
Energy: 1.617217779542478
Energy: 2.203084332018626
Energy: 1.6610709316816765
Energy: 2.203084332017843
Energy: 1.6612387527932737
Energy: 2.1559041976117364
Energy: 1.8266539162321984
Energy: 2.1559041976117364
Energy: 1.661238752792491
Energy: 2.1559041976117364
Energy: 1.61776869266851
Energy: 2.3198731098233893
Energy: 1.8273614091165953
Energy: 2.3198731098241723
Energy: 1.61776869266851
Energy: 2.3198731098241723
Energy: 1.6350707967316316
Energy: 2.080570915032756
Energy: 1.744706225906352
Energy: 2.0805709150319736
Energy: 1.6350707967316316
Energy: 2.080570915032756
Energy: 1.7450805756818508
Energy: 2.4145650855271636
Energy: 1.7450709686435442
Energy: 2.4145650855271636
Energy: 1.7450805756810686
Energy: 2.4145650855271636
Energy: 1.7447556744179162
Energy: 2.0804543173650805
Energy: 1.6172590978616785
Energy: 2.080454317363516
Energy: 1.744755674418699
Energy: 2.0804543173642984
Energy: 1.8273148106066373
Energy: 2.319962156018268
Energy: 1.6177780094708953
Energy: 2.319962156018268
Energy: 1.8273148106066373
Energy: 2.319962156018268
Energy: 1.8265280680709135
Energy: 2.1559864148953034
Energy: 1.6612204514887072
Energy: 2.1559864148953034
Energy: 1.8265280680709135
Energy: 2.1559864148953034
Energy: 1.6172552707284273
Energy: 2.2030735642705666
Energy: 1.661054101690119
Energy: 2.203073564271349
Energy: 1.6172552707284273
Energy: 2.2030735642705666
Energy: 1.6174776478565331
Energy: 2.0705495682430284
Energy: 2.5032049224075115
Energy: 2.0705495682430284
Energy: 1.6174776478565331
Energy: 2.0705495682422455
Energy: 1.6615907177005353
Energy: 1.6969221401666643
Energy: 2.5020974207916793
Energy: 1.6969221401666643
Energy: 1.6615907177005353
Energy: 1.6969221401658818
Energy: 1.6174268136201073
Energy: 1.7011932057999055
Energy: 1.6611128974361657
Energy: 1.7011932057999055
Energy: 1.6174268136193248
Energy: 1.7011932058006878
Energy: 1.8274617101130806
Energy: 2.3867614855729538
Energy: 1.6612425312921004
Energy: 2.3867614855721717
Energy: 1.8274617101130806
Energy: 2.386761485571389

minimum gb energy = 1.6116609440365695 eV
minimum distance =  1.97613601822481 Angstroms
sigma value = 81


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

Energy: 1.5683868555946634
Energy: 1.5688905130990323
Energy: 2.686510779457722
Energy: 1.568890513170289
Energy: 1.5683868555946634
Energy: 1.5688905132251774
Energy: 1.7356590102119787
Energy: 1.569618328340909
Energy: 1.5689455040343203
Energy: 1.5696183283394713
Energy: 1.7356590101855147
Energy: 1.5696183283406149
Energy: 1.568932355761483
Energy: 1.5698007680105397
Energy: 1.8473437448988215
Energy: 1.56980076800969
Energy: 1.5689323557611892
Energy: 1.569800768009984
Energy: 1.7583773663306828
Energy: 1.5688905132513473
Energy: 1.5683868555946634
Energy: 1.5688905132133828
Energy: 1.7583773663470839
Energy: 1.568890513222596
Energy: 1.5689455040343203
Energy: 1.569618328340909
Energy: 1.7356590098127973
Energy: 1.5696183283400598
Energy: 1.5689455040343203
Energy: 1.5696183283406149
Energy: 1.8850560027016883
Energy: 1.56980076800969
Energy: 1.5689323557611892
Energy: 1.5698007680102781
Energy: 1.8850560027002508
Energy: 1.5698007680108335
Energy: 1.5683868555946634
Energy: 1.5688905132053457
Energy: 1.5839474699197147
Energy: 1.5688905131320634
Energy: 1.5683868555946634
Energy: 1.5688905132024706
Energy: 1.7356590094771298
Energy: 1.5696183283406149
Energy: 1.5689455040343203
Energy: 1.5696183283406149
Energy: 1.7356590094078659
Energy: 1.5696183283400598
Energy: 1.568932355761777
Energy: 1.569800768009984
Energy: 1.8850560027013943
Energy: 1.5698007680102781
Energy: 1.568932355761777
Energy: 1.56980076800969
Energy: 1.583947469918865
Energy: 1.5688905131145512
Energy: 1.5683868555952514
Energy: 1.5688905132783342
Energy: 1.5839474699194207
Energy: 1.5688905131257578

minimum gb energy = 1.5683868555946634 eV
minimum distance =  2.10174465411676 Angstroms
sigma value = 3


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

Energy: 2.283376812966063
Energy: 2.183809928774893
Energy: 2.4406662127150556
Energy: 2.183809928772312
Energy: 2.2833768129669236
Energy: 2.1838099287757538
Energy: 2.049670865945425
Energy: 1.7781578453081868
Energy: 1.6926563544810465
Energy: 1.778157845309047
Energy: 2.049670865943704
Energy: 1.778157845309047
Energy: 1.6265516514324423
Energy: 1.62615784767878
Energy: 1.9593978377424932
Energy: 1.62615784767878
Energy: 1.6265516514324423
Energy: 1.62615784767792
Energy: 2.0535231040599107
Energy: 2.0703203132301025
Energy: 1.9514661040072137
Energy: 2.070320313230963
Energy: 2.0535231040590505
Energy: 2.0703203132301025
Energy: 1.838973002869575
Energy: 1.839970575839485
Energy: 2.1699998016811612
Energy: 1.839970575839485
Energy: 1.8389730028687148
Energy: 1.8399705758403455
Energy: 2.006180558020838
Energy: 1.6128748736456584
Energy: 1.657029381110917
Energy: 1.6128748736465188
Energy: 2.006180558020838
Energy: 1.6128748736456584
Energy: 1.8390088400953422
Energy: 1.8400226241573765
Energy: 1.7765877769812375
Energy: 1.8400226241573765
Energy: 1.8390088400953422
Energy: 1.840022624156516
Energy: 1.842122171823651
Energy: 2.296085069026227
Energy: 1.9506277336185232
Energy: 2.296085069025367
Energy: 1.842122171823651
Energy: 2.296085069025367
Energy: 1.6263401329738576
Energy: 1.6268880571613242
Energy: 2.1700581022098215
Energy: 1.6268880571613242
Energy: 1.6263401329738576
Energy: 1.6268880571613242
Energy: 1.6274728507541951
Energy: 1.6496072100495498
Energy: 1.692882530431104
Energy: 1.6496072100504102
Energy: 1.6274728507541951
Energy: 1.6496072100495498
Energy: 2.247145151418982
Energy: 1.789953381507689
Energy: 1.7791142724507791
Energy: 1.7899533815094097
Energy: 2.247145151418982
Energy: 1.789953381507689
Energy: 2.2475405699244213
Energy: 2.0240352718593275
Energy: 1.6927750312685559
Energy: 2.0240352718593275
Energy: 2.2475405699244213
Energy: 2.0240352718601877
Energy: 1.6263269541547045
Energy: 1.6181727638137615
Energy: 1.6933526124417928
Energy: 1.618172763814622
Energy: 1.6263269541547045
Energy: 1.618172763814622
Energy: 1.6268930110768183
Energy: 2.065292978034864
Energy: 1.9499812115555437
Energy: 2.065292978034004
Energy: 1.6268930110759579
Energy: 2.065292978034004
Energy: 1.8395234688131488
Energy: 1.9768727919873597
Energy: 1.9505951127408863
Energy: 1.9768727919864992
Energy: 1.8395234688122883
Energy: 1.9768727919873597
Energy: 1.839435200894098
Energy: 1.6494140981854624
Energy: 1.6570888418180887
Energy: 1.6494140981854624
Energy: 1.839435200894098
Energy: 1.649414098186323
Energy: 1.8395134258453283
Energy: 1.6500619754489783
Energy: 1.657312717046625
Energy: 1.6500619754489783
Energy: 1.8395134258453283
Energy: 1.6500619754489783
Energy: 1.8395230983942787
Energy: 1.8891904624613374
Energy: 1.9501850347160556
Energy: 1.8891904624621976
Energy: 1.8395230983942787
Energy: 1.8891904624613374
Energy: 1.6269722760405965
Energy: 2.1092252283652795
Energy: 1.9500810690805483
Energy: 2.1092252283652795
Energy: 1.6269722760405965
Energy: 2.1092252283652795
Energy: 1.626350796199767
Energy: 1.7675150162209416
Energy: 1.6931693180150091
Energy: 1.7675150162218018
Energy: 1.6263507962006272
Energy: 1.7675150162218018
Energy: 2.2689876185837736
Energy: 1.8506463744735817
Energy: 1.6926578038566424
Energy: 1.8506463744735817
Energy: 2.268987618584634
Energy: 1.8506463744735817
Energy: 2.269652562986148
Energy: 1.7972590624958689
Energy: 1.778465917220311
Energy: 1.7972590624958689
Energy: 2.269652562986148
Energy: 1.7972590624950084
Energy: 1.6272399098816028
Energy: 1.6502984470131468
Energy: 1.6927982699089503
Energy: 1.6502984470148674
Energy: 1.6272399098807426
Energy: 1.6502984470140072
Energy: 1.6264540319909375
Energy: 1.6263501842939847
Energy: 2.169889936343395
Energy: 1.6263501842939847
Energy: 1.6264540319909375
Energy: 1.6263501842939847
Energy: 1.841191429539343
Energy: 1.896562663529717
Energy: 1.9500783766353584
Energy: 1.896562663529717
Energy: 1.841191429539343
Energy: 1.896562663529717
Energy: 1.83885227300673
Energy: 1.9809904987841294
Energy: 1.6128849982695617
Energy: 1.9809904987841294
Energy: 1.83885227300673
Energy: 1.9809904987832694
Energy: 1.8408740195010176
Energy: 1.6489275794523677
Energy: 1.657169175543349
Energy: 1.6489275794515075
Energy: 1.8408740195010176
Energy: 1.6489275794515075
Energy: 1.8386857949008644
Energy: 1.7008895283696195
Energy: 2.1700067023339176
Energy: 1.70088952837048
Energy: 1.8386857949017248
Energy: 1.7008895283696195
Energy: 1.7512688431749406
Energy: 2.0716621231231245
Energy: 1.9504017436252004
Energy: 2.0716621231231245
Energy: 1.751268843175801
Energy: 2.0716621231231245
Energy: 1.6261029840794243
Energy: 1.6265692546904824
Energy: 2.034382441315296
Energy: 1.6265692546913426
Energy: 1.6261029840794243
Energy: 1.6265692546913426
Energy: 2.13800910603853
Energy: 1.7773349072849205
Energy: 1.692799126807854
Energy: 1.7773349072849205
Energy: 2.13800910603939
Energy: 1.7773349072849205
Energy: 2.24742833596643
Energy: 2.2474215918730986
Energy: 1.78151948143674
Energy: 2.2474215918730986
Energy: 2.2474283359672906
Energy: 2.2474215918730986
Energy: 2.0532703815159143
Energy: 1.7786004065187637
Energy: 1.6925535625122474
Energy: 1.7786004065187637
Energy: 2.053270381516775
Energy: 1.7786004065187637

minimum gb energy = 1.6128748736456584 eV
minimum distance =  2.04332498578853 Angstroms
sigma value = 67


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

Energy: 1.9979422981360364
Energy: 2.1588771964713
Energy: 2.3207915808785042
Energy: 2.1588771964713
Energy: 1.9979422981372623
Energy: 2.1588771964713
Energy: 2.3246065286520574
Energy: 1.773979591698939
Energy: 1.689680046720225
Energy: 1.773979591698939
Energy: 2.3246065286532835
Energy: 1.773979591698939
Energy: 1.6121396014962026
Energy: 1.626390378631009
Energy: 1.962828479575654
Energy: 1.626390378631009
Energy: 1.6121396014962026
Energy: 1.626390378631009
Energy: 2.144172811158718
Energy: 2.0066811096494734
Energy: 1.8481988343605427
Energy: 2.0066811096482478
Energy: 2.1441728111599443
Energy: 2.0066811096494734
Energy: 1.8470855468041174
Energy: 1.922780798475476
Energy: 2.2728953942604955
Energy: 1.9227807984767016
Energy: 1.8470855468028915
Energy: 1.9227807984767016
Energy: 1.8504806391817556
Energy: 1.6085888143724048
Energy: 1.6530684713922132
Energy: 1.6085888143711786
Energy: 1.8504806391817556
Energy: 1.6085888143711786
Energy: 1.776006670067662
Energy: 1.6092119270274567
Energy: 1.6092379841416693
Energy: 1.6092119270250052
Energy: 1.7760066700664359
Energy: 1.6092119270250052
Energy: 1.7745367576533173
Energy: 2.042343313681962
Energy: 2.2652572564533555
Energy: 2.0423433136831877
Energy: 1.7745367576520914
Energy: 2.042343313681962
Energy: 1.7718780145255246
Energy: 1.7704452756060123
Energy: 2.273412941144439
Energy: 1.770445275607238
Energy: 1.7718780145255246
Energy: 1.770445275607238
Energy: 1.771175600306621
Energy: 1.609809778804865
Energy: 1.6088648498006357
Energy: 1.6098097788036392
Energy: 1.771175600306621
Energy: 1.609809778804865
Energy: 1.8472886402866162
Energy: 1.6831798314642017
Energy: 1.6089917627648485
Energy: 1.6831798314666535
Energy: 1.8472886402866162
Energy: 1.6831798314666535
Energy: 1.847152055331841
Energy: 1.7281280713864036
Energy: 1.8481290037356148
Energy: 1.728128071383952
Energy: 1.847152055333067
Energy: 1.7281280713851779
Energy: 1.6091432582634597
Energy: 1.609292336246645
Energy: 1.8464490738291461
Energy: 1.609292336246645
Energy: 1.6091432582634597
Energy: 1.6092923362478708
Energy: 1.609098438119986
Energy: 1.6827734265332992
Energy: 1.7713424393300814
Energy: 1.6827734265332992
Energy: 1.609098438119986
Energy: 1.6827734265332992
Energy: 2.343883600526153
Energy: 2.1075632526864054
Energy: 1.7714079007030161
Energy: 2.1075632526876316
Energy: 2.343883600526153
Energy: 2.1075632526864054
Energy: 2.302587637236209
Energy: 1.933431184250885
Energy: 1.7745820381814874
Energy: 1.933431184250885
Energy: 2.3025876372349834
Energy: 1.933431184250885
Energy: 1.6093541311709636
Energy: 1.6091972989386896
Energy: 1.7702497959856769
Energy: 1.6091972989386896
Energy: 1.6093541311709636
Energy: 1.6091972989386896
Energy: 1.6531130817824502
Energy: 2.154315221537747
Energy: 1.8505256437592255
Energy: 2.1543152215389725
Energy: 1.6531130817824502
Energy: 2.154315221537747
Energy: 2.2729211590171716
Energy: 2.0792370442043846
Energy: 1.847075487112357
Energy: 2.0792370442031585
Energy: 2.272921159015946
Energy: 2.0792370442043846
Energy: 1.848302035215273
Energy: 2.078834975883213
Energy: 2.1480661988026175
Energy: 2.078834975883213
Energy: 1.8483020352164992
Energy: 2.0788349758819873
Energy: 2.1224092400793384
Energy: 1.7483182033554654
Energy: 1.6090477326734027
Energy: 1.7483182033542395
Energy: 2.1224092400793384
Energy: 1.7483182033542395
Energy: 1.6889102773496447
Energy: 1.7718134122069675
Energy: 2.264873582402507
Energy: 1.7718134122069675
Energy: 1.6889102773484188
Energy: 1.771813412208193
Energy: 2.0679074607740566
Energy: 2.284362588027864
Energy: 1.7872480572040046
Energy: 2.284362588026638
Energy: 2.067907460771605
Energy: 2.284362588027864

minimum gb energy = 1.6085888143711786 eV
minimum distance =  2.07816906143673 Angstroms
sigma value = 33


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

Energy: 2.1402986166638978
Energy: 2.394435496218307
Energy: 2.3463204209135946
Energy: 2.394435496218307
Energy: 2.14029861666312
Energy: 2.394435496218307
Energy: 2.3285473890212436
Energy: 1.9080998839741823
Energy: 1.5840885160461093
Energy: 1.9080998839749599
Energy: 2.3285473890204655
Energy: 1.9080998839749599
Energy: 1.5858740118795935
Energy: 1.5534130599329503
Energy: 2.1616911361543067
Energy: 1.5534130599329503
Energy: 1.5858740118803711
Energy: 1.5534130599321725
Energy: 1.5512916337778297
Energy: 1.9540957914367725
Energy: 1.6548077600711126
Energy: 1.9540957914367725
Energy: 1.5512916337778297
Energy: 1.9540957914367725
Energy: 2.0225840069066217
Energy: 2.0354853676173037
Energy: 1.952148584096199
Energy: 2.0354853676173037
Energy: 2.0225840069066217
Energy: 2.0354853676173037
Energy: 2.0212256329348963
Energy: 1.6920399961316421
Energy: 1.584745903841172
Energy: 1.6920399961316421
Energy: 2.021225632935674
Energy: 1.5496459701084675
Energy: 1.584818584905177
Energy: 1.5500886190420238
Energy: 1.5511872030594664
Energy: 1.5500886190428016
Energy: 1.5848185849043994
Energy: 1.5500886190420238
Energy: 1.550527863952685
Energy: 2.036863222513062
Energy: 2.021036091276484
Energy: 2.0368632225122845
Energy: 1.550527863952685
Energy: 2.036863222513062
Energy: 1.9522197939910897
Energy: 1.9353706564651871
Energy: 2.025438416339683
Energy: 1.9353706564651871
Energy: 1.9522197939910897
Energy: 1.9353706564651871
Energy: 1.6542908173296051
Energy: 1.8335834841768635
Energy: 1.5852474767661076
Energy: 1.7560949238000882
Energy: 1.6542908173296051
Energy: 1.8335834841768635
Energy: 1.585321902640916
Energy: 1.8296373224014089
Energy: 1.5506736952033018
Energy: 1.8296373224014089
Energy: 1.5853219026401382
Energy: 1.8296373224014089
Energy: 1.5835757572253233
Energy: 1.6974449426009985
Energy: 2.3734936870563783
Energy: 1.6974449426017764
Energy: 1.583575757224546
Energy: 1.6974449426017764
Energy: 1.9076786492281543
Energy: 2.1102727154465035
Energy: 2.123795569952588
Energy: 2.1102727154465035
Energy: 1.9076786492289322
Energy: 2.1102727154465035
Energy: 1.584347407999646
Energy: 1.728939592875293
Energy: 1.5636485881226503
Energy: 1.7289395928745153
Energy: 1.5843474080004238
Energy: 1.728939592876071
Energy: 2.0245193288775503
Energy: 1.5515079945998258
Energy: 1.5836446722546755
Energy: 1.551507994599048
Energy: 2.0245193288767727
Energy: 1.551507994599048
Energy: 1.6546291997533762
Energy: 1.9534538421701484
Energy: 2.2784786844175935
Energy: 1.9534538421701484
Energy: 1.6546291997533762
Energy: 1.9534538421701484
Energy: 2.3083915766904544
Energy: 2.3190575737861048
Energy: 2.0387867316560433
Energy: 2.3190575737861048
Energy: 2.3083915766904544
Energy: 2.3190575737861048
Energy: 1.5843702744638195
Energy: 1.5505779412643879
Energy: 2.231113438718856
Energy: 1.5505779412659433
Energy: 1.5843702744638195
Energy: 1.5505779412643879
Energy: 1.7721047710809168
Energy: 1.551511849225526
Energy: 1.5834425159921177
Energy: 1.551511849225526
Energy: 1.772104771080139
Energy: 1.551511849225526
Energy: 2.0206060315977172
Energy: 2.0360853101570022
Energy: 1.5500669092675872
Energy: 2.036085310156224
Energy: 2.0206060315984944
Energy: 2.036085310156224
Energy: 2.2789737521497124
Energy: 1.8934316417689543
Energy: 1.6546757753872388
Energy: 1.8934316417689543
Energy: 2.27897375215049
Energy: 1.8934316417689543
Energy: 1.5845712979734512
Energy: 1.9285294301577667
Energy: 1.9521764346185368
Energy: 1.9285294301577667
Energy: 1.5845712979734512
Energy: 1.9285294301577667
Energy: 1.5493789804943365
Energy: 1.550698640422985
Energy: 1.58417044389814
Energy: 1.550698640422985
Energy: 1.5493789804943365
Energy: 1.5506986404222074
Energy: 2.1217746326882625
Energy: 1.8625687036257297
Energy: 1.5853853542530125
Energy: 1.8625687036257297
Energy: 2.1217746326882625
Energy: 1.862568703624952
Energy: 2.3699819166460103
Energy: 1.6981837367563082
Energy: 1.5847990364042492
Energy: 1.6981837367563082
Energy: 2.3699819166452323
Energy: 1.6981837367563082
Energy: 1.5504277446156969
Energy: 2.0624774772066967
Energy: 1.5839676618050147
Energy: 2.062477477205919
Energy: 1.5504277446164747
Energy: 2.0624774772066967
Energy: 1.5849633434136061
Energy: 1.5494461043792136
Energy: 1.9522137923965641
Energy: 1.5494461043799912
Energy: 1.5849633434136061
Energy: 1.5494461043799912
Energy: 2.020989885020735
Energy: 1.8610371757402817
Energy: 1.6542131765461485
Energy: 1.8610371757402817
Energy: 2.0209898850199575
Energy: 1.8610371757402817
Energy: 2.0226211698100673
Energy: 2.0355996029936327
Energy: 1.5497160069048967
Energy: 2.0355996029936327
Energy: 2.022621169811623
Energy: 2.035599602992855
Energy: 1.5514619645666452
Energy: 1.5506896799734735
Energy: 1.5844326940765354
Energy: 1.550689679971918
Energy: 1.5514619645658674
Energy: 1.550689679972696
Energy: 1.5861496690297638
Energy: 1.8341963087371984
Energy: 2.3049380777361232
Energy: 1.8341963087379758
Energy: 1.5861496690305414
Energy: 1.8341963087364206
Energy: 1.952203568644701
Energy: 2.035716124427965
Energy: 2.0206289478727326
Energy: 2.0357161244295203
Energy: 1.952203568644701
Energy: 2.0357161244287427
Energy: 1.6550759295352053
Energy: 1.9529818545448197
Energy: 2.1774805279062033
Energy: 1.9529818545448197
Energy: 1.655075929535983
Energy: 1.9529818545432645
Energy: 2.2274865640773704
Energy: 1.5519953701591314
Energy: 1.5844954139769625
Energy: 1.5519953701583535
Energy: 2.2274865640773704
Energy: 1.5519953701591314
Energy: 1.58452132574212
Energy: 1.9150838308630909
Energy: 2.133783606192328
Energy: 1.9150838308630909
Energy: 1.58452132574212
Energy: 1.9150838308630909
Energy: 1.9085075579859703
Energy: 2.1109563701037675
Energy: 2.121744396797994
Energy: 2.1109563701037675
Energy: 1.9085075579859703
Energy: 2.1109563701022123
Energy: 1.5836381697251138
Energy: 2.0977811802205455
Energy: 2.3344123043058382
Energy: 2.097781180219768
Energy: 1.5836381697251138
Energy: 2.0977811802205455

minimum gb energy = 1.5493789804943365 eV
minimum distance =  2.04587670771482 Angstroms
sigma value = 41


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

Energy: 1.5016894594600083
Energy: 1.3652233330886065
Energy: 2.569456752058147
Energy: 1.3652233330886065
Energy: 1.5016894594600083
Energy: 1.36522333309073
Energy: 2.223829848045054
Energy: 1.3634824189709511
Energy: 1.3621712956488146
Energy: 1.3634824189688277
Energy: 2.223829848045054
Energy: 1.3634824189709511
Energy: 1.502739532005566
Energy: 1.4704673821659093
Energy: 1.3649124290933508
Energy: 1.4704673821659093
Energy: 1.502739532005566
Energy: 1.4704673821659093
Energy: 2.2244676588855583
Energy: 1.3633626596875872
Energy: 1.3624216321487486
Energy: 1.3633626596875872
Energy: 2.224467658883483
Energy: 1.3633626596875872
Energy: 1.5025960893309849
Energy: 1.8731035874698725
Energy: 1.3642294836595672
Energy: 1.873103587471996
Energy: 1.5025960893309849
Energy: 1.873103587471996
Energy: 1.5026202698931466
Energy: 1.4701119046046753
Energy: 1.3628994785195143
Energy: 1.4701119046046753
Energy: 1.5026202698931466
Energy: 1.4701119046046753
Energy: 2.2240464083922977
Energy: 1.3644256080996333
Energy: 1.36378011957687
Energy: 1.3644256080996333
Energy: 2.2240464083922977
Energy: 1.3644256080996333
Energy: 1.5019157170295825
Energy: 1.3641130389681062
Energy: 1.3634670614543178
Energy: 1.3641130389702296
Energy: 1.5019157170295825
Energy: 1.3641130389702296
Energy: 2.2243000321978066
Energy: 1.4704093030404752
Energy: 1.3634698388244626
Energy: 1.4704093030383518
Energy: 2.2243000321978066
Energy: 1.4704093030404752
Energy: 1.5019010641859996
Energy: 1.8730824783125986
Energy: 1.3637964500304005
Energy: 1.8730824783125986
Energy: 1.5019010641859996
Energy: 1.8730824783125986
Energy: 2.321103582747109
Energy: 1.3641626603633898
Energy: 1.3633067065583457
Energy: 1.3641626603633898
Energy: 2.321103582747109
Energy: 1.3641626603633898
Energy: 1.5024636805243676
Energy: 1.4698712173467556
Energy: 2.4058634907069827
Energy: 1.4698712173446322
Energy: 1.5024636805243676
Energy: 1.4698712173467556
Energy: 2.2559419929848414
Energy: 1.3639553536553164
Energy: 1.3633027577484595
Energy: 1.3639553536553164
Energy: 2.255941993190715
Energy: 1.3639553536553164
Energy: 1.5018922090574287
Energy: 1.8730527064169056
Energy: 1.3637942069615177
Energy: 1.8730527064169056
Energy: 1.5018922090574287
Energy: 1.873052706419029

minimum gb energy = 1.3621712956488146 eV
minimum distance =  2.1080701011012 Angstroms
sigma value = 11


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

Energy: 2.1899574976520273
Energy: 1.734855176225523
Energy: 2.0866752540476394
Energy: 1.7348551762310989
Energy: 2.189957497670684
Energy: 1.7348551762310989
Energy: 1.7215964142891995
Energy: 1.9881831338401743
Energy: 1.719317522513171
Energy: 1.9881831338401743
Energy: 1.7215964142891995
Energy: 1.9881831338401743
Energy: 1.71988119455176
Energy: 1.9489654061163402
Energy: 1.7196000942924023
Energy: 1.9489654061163402
Energy: 1.7198811945526928
Energy: 1.9489654061163402
Energy: 1.676180171112641
Energy: 1.6775090167345161
Energy: 1.7194440138003335
Energy: 1.6775090167345161
Energy: 1.676180171112641
Energy: 1.677509016750374
Energy: 2.0586783769550805
Energy: 1.99622663385534
Energy: 1.6762740787141728
Energy: 1.9962266338572054
Energy: 2.0586783769560126
Energy: 1.9962266338572054
Energy: 1.8237459798019033
Energy: 2.046537144027096
Energy: 2.0588257969834936
Energy: 2.046537144027096
Energy: 1.8237459798019033
Energy: 2.046537144027096
Energy: 1.6760280997541954
Energy: 2.1537676916554185
Energy: 1.8217685236221606
Energy: 2.1537676916554185
Energy: 1.6760280997541954
Energy: 2.1537676916554185
Energy: 1.7206594452030526
Energy: 1.6778466100554088
Energy: 1.7198183079896436
Energy: 1.6778466100554088
Energy: 1.7206594452039854
Energy: 1.6778466100563416
Energy: 1.9006468238169942
Energy: 1.693952956069138
Energy: 1.7196010808030178
Energy: 1.6939529560635411
Energy: 1.9006468238169942
Energy: 1.693952956069138
Energy: 1.719100588185889
Energy: 2.13314188337267
Energy: 1.6768983609206574
Energy: 2.13314188337267
Energy: 1.719100588185889
Energy: 2.13314188337267
Energy: 1.8526942809405775
Energy: 1.810933561820891
Energy: 2.169566839994557
Energy: 1.8109335618227564
Energy: 1.8526942809396447
Energy: 1.8109335618227564
Energy: 1.7207260531005097
Energy: 2.046539643658062
Energy: 2.1718938061253135
Energy: 2.046539643658062
Energy: 1.7207260531005097
Energy: 2.046539643658062
Energy: 1.7194276613577097
Energy: 1.9325113633561009
Energy: 1.9879489505083494
Energy: 1.9325113633561009
Energy: 1.7194276613567772
Energy: 1.9325113633561009
Energy: 1.6777706567897464
Energy: 1.6927504546357308
Energy: 1.6772102835241507
Energy: 1.6927504546357308
Energy: 1.6777706567897464
Energy: 1.6927504546366634
Energy: 1.7194560496384674
Energy: 2.013368672504741
Energy: 2.0688400958994375
Energy: 2.013368672504741
Energy: 1.7194560496394005
Energy: 2.013368672505674
Energy: 2.0281358100965585
Energy: 2.05845761152672
Energy: 1.8217636206845833
Energy: 2.058457611527653
Energy: 2.0281358100965585
Energy: 2.05845761152672
Energy: 1.821751308240555
Energy: 2.1538419755963316
Energy: 1.901266646094679
Energy: 2.1538419755953986
Energy: 1.821751308240555
Energy: 2.1538419755963316
Energy: 2.0687965863898907
Energy: 2.0135567063600255
Energy: 1.7196444647931706
Energy: 2.0135567063609585
Energy: 2.0687965863898907
Energy: 2.0135567063600255
Energy: 1.6761142817557089
Energy: 1.9323646755426895
Energy: 1.6769154356613567
Energy: 1.9323646755426895
Energy: 1.6761142817557089
Energy: 1.9323646755426895
Energy: 1.7192734164123515
Energy: 1.9320407913930284
Energy: 1.7216988547035756
Energy: 1.9320407913930284
Energy: 1.7192734164123515
Energy: 1.9320407913930284
Energy: 2.1705641345439863
Energy: 2.045126168012397
Energy: 1.7199603345878542
Energy: 2.04512616801333
Energy: 2.1705641345439863
Energy: 2.045126168012397
Energy: 2.169874348600699
Energy: 1.8097719348046004
Energy: 1.9878736517289088
Energy: 1.8097719348036676
Energy: 2.169874348600699
Energy: 1.8097719348046004
Energy: 1.8815410491600333
Energy: 1.987738726166804
Energy: 1.7930673051198651
Energy: 1.9877387261686696
Energy: 1.881541049160966
Energy: 1.9877387261677368
Energy: 1.7195331477244635
Energy: 1.6929827740621932
Energy: 1.7218137041725794
Energy: 1.6929827740621932
Energy: 1.7195331477244635
Energy: 1.6929827740631258
Energy: 1.719737736553537
Energy: 1.6768687388918462
Energy: 1.7195641523799217
Energy: 1.6768687388918462
Energy: 1.719737736553537
Energy: 1.6768687388909131
Energy: 1.821962278316734
Energy: 1.9949759585344884
Energy: 1.6767607424718738
Energy: 1.9949759585354212
Energy: 1.821962278316734
Energy: 1.9949759585354212
Energy: 2.0701042779386682
Energy: 2.046294346324333
Energy: 2.0587363574906137
Energy: 2.046294346324333
Energy: 2.0701042779386682
Energy: 2.046294346324333
Energy: 1.6764411676698814
Energy: 1.9960610444499791
Energy: 1.8236205827221321
Energy: 1.9960610444499791
Energy: 1.6764411676680155
Energy: 1.9960610444499791
Energy: 1.720473945632909
Energy: 1.6776331122040296
Energy: 1.6761345876468003
Energy: 1.677633112201231
Energy: 1.7204739456319764
Energy: 1.677633112201231
Energy: 1.719860447084065
Energy: 1.948692264450336
Energy: 1.721030800380574
Energy: 1.9486922644494031
Energy: 1.7198604470943257
Energy: 1.948692264450336
Energy: 1.7191536908045604
Energy: 1.9880236384076189
Energy: 1.9009711597557573
Energy: 1.9880236384076189
Energy: 1.7191536908045604
Energy: 1.9880236384076189

minimum gb energy = 1.6760280997541954 eV
minimum distance =  2.08908076441213 Angstroms
sigma value = 57


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

Energy: 1.9241255164741484
Energy: 2.0034882614170257
Energy: 1.9963386941635193
Energy: 2.0034882614170257
Energy: 1.9241255164658486
Energy: 2.0034882614186857
Energy: 1.866534328852784
Energy: 1.8796882861699906
Energy: 1.755083253215382
Energy: 1.7565092234787356
Energy: 1.866534328852784
Energy: 1.8796882861699906
Energy: 1.8172366928337118
Energy: 1.8683106827127696
Energy: 1.7559482549474017
Energy: 1.8683106827127696
Energy: 1.8172366928337118
Energy: 1.8683106827127696
Energy: 1.7552781726695663
Energy: 1.8330965412876519
Energy: 1.75527969328489
Energy: 1.7779134752832588
Energy: 1.755278172671226
Energy: 1.7781193421559436
Energy: 1.7559444809253504
Energy: 1.8682622446903692
Energy: 1.8468308439502308
Energy: 1.8682622446903692
Energy: 1.7559444809253504
Energy: 1.8682622446903692
Energy: 1.7550709217255562
Energy: 1.7564406221822813
Energy: 1.8665467416119672
Energy: 1.7564406221822813
Energy: 1.7550709217255562
Energy: 1.7564406221806212
Energy: 1.8297795829248278
Energy: 2.0034882614170257
Energy: 1.9241255164641886
Energy: 2.0034882614170257
Energy: 1.8297795829264878
Energy: 2.0034882614170257
Energy: 1.755083253215382
Energy: 2.031391064550797
Energy: 1.866534328852784
Energy: 2.031391064549137
Energy: 1.755083253215382
Energy: 1.7565092234787356
Energy: 1.7559482549474017
Energy: 1.8683106827144296
Energy: 1.8172366928337118
Energy: 1.8683106827144296
Energy: 1.7559482549474017
Energy: 1.8683106827144296
Energy: 1.7552796932832302
Energy: 1.8330965412511713
Energy: 1.7552781726695663
Energy: 1.8329250063001679
Energy: 1.75527969328489
Energy: 1.777913475278279
Energy: 1.846830843948571
Energy: 1.8682622446903692
Energy: 1.7559444809253504
Energy: 1.8682622446903692
Energy: 1.846830843948571
Energy: 1.8682622446903692
Energy: 1.8665467416119672
Energy: 1.7564406221822813
Energy: 1.7550709217255562
Energy: 1.7564406221806212
Energy: 1.8665467416119672
Energy: 1.756440622183941
Energy: 1.9241255164675084
Energy: 2.0034882614170257
Energy: 1.8297795829248278
Energy: 2.0034882614170257
Energy: 1.9241255164658486
Energy: 2.0034882614170257
Energy: 1.8665343288511618
Energy: 1.7565092234803956
Energy: 1.755083253213722
Energy: 1.7565092234787356
Energy: 1.8665343288511618
Energy: 1.7565092234787356
Energy: 1.8172366928353718
Energy: 1.8683106827127696
Energy: 1.7559482549474017
Energy: 1.8683106827127696
Energy: 1.8172366928353718
Energy: 1.8683106827127696
Energy: 1.7552781726695663
Energy: 1.833096541203033
Energy: 1.75527969328489
Energy: 1.77791347525504
Energy: 1.7552781726695663
Energy: 1.8329250063018276
Energy: 1.7559444809253504
Energy: 1.8682622446903692
Energy: 1.846830843948571
Energy: 1.8682622446903692
Energy: 1.7559444809253504
Energy: 1.8682622446903692

minimum gb energy = 1.7550709217255562 eV
minimum distance =  2.10922700641855 Angstroms
sigma value = 9


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

Energy: 2.031665807057546
Energy: 2.1851103245017067
Energy: 1.9563590039357428
Energy: 2.1851103245017067
Energy: 2.0316658070561906
Energy: 2.1851103245017067
Energy: 1.893113726239516
Energy: 2.000286821786787
Energy: 1.9092025020901233
Energy: 2.000286821785432
Energy: 1.893113726240871
Energy: 2.000286821786787
Energy: 1.8469422755714338
Energy: 1.9560819475475415
Energy: 1.9123004731093267
Energy: 1.9560819475475415
Energy: 1.8469422755727891
Energy: 1.9560819475475415
Energy: 1.8458848852345255
Energy: 1.8468902134780032
Energy: 1.8625333299243472
Energy: 1.8468902134780032
Energy: 1.8458848852331702
Energy: 1.8468902134780032
Energy: 1.895692546397503
Energy: 1.8742870465478132
Energy: 1.912080289416715
Energy: 1.8742870465478132
Energy: 1.895692546397503
Energy: 1.8742870465478132
Energy: 1.8460201458354883
Energy: 1.8463050778795178
Energy: 1.9093451188552413
Energy: 1.8463050778795178
Energy: 1.8460201458354883
Energy: 1.8463050778781622
Energy: 1.8483559146448705
Energy: 1.9666653076669838
Energy: 1.9121931187305483
Energy: 1.9666653076683394
Energy: 1.8483559146462256
Energy: 1.9666653076683394
Energy: 1.9246545751461592
Energy: 1.9994769534634782
Energy: 1.909487922343169
Energy: 1.9994769534634782
Energy: 1.9246545751461592
Energy: 1.9994769534634782
Energy: 1.9520822225388088
Energy: 2.1001347798951127
Energy: 1.862806169654951
Energy: 2.1001347798951127
Energy: 1.9520822225388088
Energy: 2.1001347798937573
Energy: 1.8466465637981737
Energy: 2.1210563659648476
Energy: 1.9094067701118085
Energy: 2.1210563659648476
Energy: 1.8466465637981737
Energy: 2.1210563659648476
Energy: 1.849028500461312
Energy: 1.9638168592962053
Energy: 1.8809712607355582
Energy: 1.9638168592962053
Energy: 1.849028500461312
Energy: 1.9638168592962053
Energy: 1.8459924587399394
Energy: 2.0173244940233923
Energy: 1.8881311133055203
Energy: 2.0173244940233923
Energy: 1.8459924587399394
Energy: 2.0173244940233923
Energy: 1.8489206457174625
Energy: 2.012888939736638
Energy: 1.9044402731938292
Energy: 2.0128889397352823
Energy: 1.8489206457174625
Energy: 2.012888939736638
Energy: 1.8459732408188982
Energy: 1.8464536520108241
Energy: 1.8372217326875204
Energy: 1.8464536520108241
Energy: 1.8459732408188982
Energy: 1.8464536520108241
Energy: 1.8990994301117412
Energy: 2.1215720913128813
Energy: 1.9293078540027178
Energy: 2.1215720913128813
Energy: 1.8990994301117412
Energy: 2.1215720913142366
Energy: 1.9521599766591662
Energy: 2.03099779745199
Energy: 1.862779919751866
Energy: 2.03099779745199
Energy: 1.9521599766605218
Energy: 2.0309977974506346
Energy: 1.9521707916304163
Energy: 2.021576530892078
Energy: 1.8633302510614107
Energy: 2.021576530892078
Energy: 1.9521707916317717
Energy: 2.021576530892078
Energy: 1.9075354252276124
Energy: 2.11991065062798
Energy: 1.9092340967018877
Energy: 2.11991065062798
Energy: 1.9075354252276124
Energy: 2.11991065062798
Energy: 1.8487463720716535
Energy: 1.8485759488590134
Energy: 1.8396785271732907
Energy: 1.8485759488590134
Energy: 1.8487463720716535
Energy: 1.8485759488603686
Energy: 1.8460587927611598
Energy: 1.874996165183615
Energy: 1.9097805236625713
Energy: 1.874996165183615
Energy: 1.8460587927611598
Energy: 1.8749961651822598
Energy: 1.8486372494769114
Energy: 1.846924225177928
Energy: 1.8633937294797116
Energy: 1.8469242251765727
Energy: 1.8486372494769114
Energy: 1.8469242251765727

minimum gb energy = 1.8372217326875204 eV
minimum distance =  2.09572926082616 Angstroms
sigma value = 27


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

Energy: 2.0149461140975444
Energy: 2.260461185137473
Energy: 1.8616921953055938
Energy: 2.2604611851363305
Energy: 2.0149461140530147
Energy: 2.2604611851363305
Energy: 1.836891288633813
Energy: 2.0546772032432696
Energy: 1.836619962858482
Energy: 2.054677203242127
Energy: 1.836891288633813
Energy: 2.054677203240985
Energy: 1.7922595181818193
Energy: 1.9089157093668012
Energy: 1.8365214118976747
Energy: 1.908915709365659
Energy: 1.7922595181806769
Energy: 1.908915709365659
Energy: 1.842061645108902
Energy: 1.9898466704612734
Energy: 1.8203504624835565
Energy: 1.9898466704612734
Energy: 1.8420616451100444
Energy: 1.989846670462416
Energy: 1.836989831947046
Energy: 1.8099294686228529
Energy: 1.8367678343629914
Energy: 1.8099294686228529
Energy: 1.836989831947046
Energy: 1.8099294686217104
Energy: 1.7955618517847927
Energy: 1.859555027201727
Energy: 1.7911501082823922
Energy: 1.859555027201727
Energy: 1.7955618517847927
Energy: 1.859555027201727
Energy: 1.8419524188142884
Energy: 1.93805418412463
Energy: 1.836682301469049
Energy: 1.93805418412463
Energy: 1.8419524188142884
Energy: 1.9380541841257724
Energy: 1.837180436147867
Energy: 1.9219573812612485
Energy: 1.8366694690418148
Energy: 1.9219573812612485
Energy: 1.8371804361490094
Energy: 1.9219573812612485
Energy: 1.9043863705403903
Energy: 2.0395477506686928
Energy: 1.8286358238080542
Energy: 2.0395477506698354
Energy: 1.9043863705392476
Energy: 2.0395477506698354
Energy: 1.8394847655324618
Energy: 2.1421706146891792
Energy: 1.9480633189485745
Energy: 2.1421706146891792
Energy: 1.8394847655324618
Energy: 2.1421706146891792
Energy: 1.8395883890591394
Energy: 2.142356127411289
Energy: 1.9481162440176143
Energy: 2.142356127411289
Energy: 1.839588389057997
Energy: 2.142356127410172
Energy: 1.9043628944122608
Energy: 2.039380400379982
Energy: 1.8286319224637126
Energy: 2.039380400379982
Energy: 1.9043628944122608
Energy: 2.039380400379982
Energy: 1.837192859247485
Energy: 1.9219254832977142
Energy: 1.836695658683247
Energy: 1.9219254832965718
Energy: 1.837192859247485
Energy: 1.9219254832965718
Energy: 1.8419235396425788
Energy: 1.9380839948975337
Energy: 1.8365974017185844
Energy: 1.9380839948975337
Energy: 1.8419235396425788
Energy: 1.9380839948975337
Energy: 1.7957078796757981
Energy: 1.859707683724486
Energy: 1.7911156926507013
Energy: 1.859707683724486
Energy: 1.7957078796769406
Energy: 1.859707683724486
Energy: 1.8369912132468607
Energy: 1.8099294686205682
Energy: 1.836678298818527
Energy: 1.8099294686228529
Energy: 1.8369912132468607
Energy: 1.8099294686228529
Energy: 1.8419949463826204
Energy: 1.989893959276104
Energy: 1.812666870800695
Energy: 1.989893959276104
Energy: 1.8419949463826204
Energy: 1.989893959276104
Energy: 1.7922938101766996
Energy: 1.9073515754255836
Energy: 1.8365558544323857
Energy: 1.9073515754244412
Energy: 1.792293810177842
Energy: 1.9073515754244412
Energy: 1.836880456417849
Energy: 2.0545382449970973
Energy: 1.8365909399152467
Energy: 2.0545382449970973
Energy: 1.8368804564189913
Energy: 2.0545382449970973
Energy: 2.014946114071268
Energy: 2.260461185137473
Energy: 1.8513463418272746
Energy: 2.2604611851363305
Energy: 2.0149461140621283
Energy: 2.2604611851363305
Energy: 1.836891288633813
Energy: 2.054677203242127
Energy: 1.836619962858482
Energy: 2.054677203242127
Energy: 1.8368912886326705
Energy: 2.054677203240985
Energy: 1.7922595181818193
Energy: 1.9089157093668012
Energy: 1.8365214118976747
Energy: 1.908915709365659
Energy: 1.7922595181818193
Energy: 1.9089157093668012
Energy: 1.842061645108902
Energy: 1.9898466704612734
Energy: 1.8575441666468147
Energy: 1.9898466704612734
Energy: 1.842061645108902
Energy: 1.9898466704612734
Energy: 1.836989831947046
Energy: 1.8099294686217104
Energy: 1.8367678343618488
Energy: 1.8099294686217104
Energy: 1.836989831947046
Energy: 1.8099294686217104
Energy: 1.7955618517847927
Energy: 1.859555027201727
Energy: 1.7911501082823922
Energy: 1.859555027201727
Energy: 1.7955618517847927
Energy: 1.859555027201727

minimum gb energy = 1.7911156926507013 eV
minimum distance =  2.04558677115603 Angstroms
sigma value = 19


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

Energy: 1.9828939479087013
Energy: 1.7781124624640823
Energy: 1.8077338414936572
Energy: 1.7781124624640823
Energy: 1.9828939479096874
Energy: 1.7781124624650684
Energy: 1.739580095269508
Energy: 2.0877397752293185
Energy: 1.7631803883261628
Energy: 2.0877397752293185
Energy: 1.739580095269508
Energy: 2.087739775233263
Energy: 1.718792529229634
Energy: 2.0352630490868604
Energy: 1.763241353316517
Energy: 2.0352630490868604
Energy: 1.718792529229634
Energy: 2.0352630490868604
Energy: 1.7391806866624129
Energy: 2.0156699509113074
Energy: 1.7023996054772335
Energy: 2.0156699509113074
Energy: 1.7391806866624129
Energy: 2.0156699509113074
Energy: 1.7390863594737687
Energy: 1.7028887600940894
Energy: 1.702737346163465
Energy: 1.7028887600881726
Energy: 1.7390863594747548
Energy: 1.7028887600881726
Energy: 1.7187061255746794
Energy: 1.7027293130185106
Energy: 1.70305231315318
Energy: 1.7027293130185106
Energy: 1.7187061255756655
Energy: 1.702729313019497
Energy: 1.739078668053748
Energy: 1.7188347056740203
Energy: 1.70236451029239
Energy: 1.718834705673034
Energy: 1.739078668053748
Energy: 1.7188347056740203
Energy: 1.7395117380692773
Energy: 1.702651869964641
Energy: 1.7030269585323887
Energy: 1.702651869964641
Energy: 1.7395117380692773
Energy: 1.702651869964641
Energy: 1.7390441014751103
Energy: 2.031628966584357
Energy: 1.727854533942367
Energy: 2.031628966584357
Energy: 1.7390441014760967
Energy: 2.0316289665833707
Energy: 1.7390656239108457
Energy: 1.8763882805841652
Energy: 1.7629068093410953
Energy: 1.876388280576276
Energy: 1.7390656239138043
Energy: 1.8763882805841652
Energy: 1.7416673977409545
Energy: 2.065722013868333
Energy: 1.8005526561172902
Energy: 2.0657220138673473
Energy: 1.7416673977409545
Energy: 2.0657220138693195
Energy: 1.8675161496345818
Energy: 1.8476305508058462
Energy: 1.7631924600111852
Energy: 1.8476305508038737
Energy: 1.8675161496316233
Energy: 1.8476305508058462
Energy: 1.867124081718123
Energy: 1.854046736665546
Energy: 1.7643396594181002
Energy: 1.854046736665546
Energy: 1.867124081718123
Energy: 1.854046736665546
Energy: 1.7199562061106153
Energy: 2.0659153393303966
Energy: 1.837388345574541
Energy: 2.0659153393303966
Energy: 1.7199562061106153
Energy: 2.0659153393294107
Energy: 1.740877205975677
Energy: 2.015433591232346
Energy: 1.7633871073120866
Energy: 2.0154335912333323
Energy: 1.740877205975677
Energy: 2.015433591232346
Energy: 1.7390088928919147
Energy: 1.899216122526047
Energy: 1.7646342901512027
Energy: 1.8992161225270332
Energy: 1.7390088928919147
Energy: 1.8992161225270332
Energy: 1.718311203141505
Energy: 1.9248468305464113
Energy: 1.7643258218681068
Energy: 1.9248468305464113
Energy: 1.718311203141505
Energy: 1.9248468305533142
Energy: 1.7389810874235387
Energy: 1.7225993564870867
Energy: 1.7630713130767561
Energy: 1.7225993564811697
Energy: 1.7389810874225526
Energy: 1.7225993565008704
Energy: 1.7183011370980503
Energy: 1.9248800914134483
Energy: 1.7643205984155585
Energy: 1.9248800914134483
Energy: 1.7183011370980503
Energy: 1.9248800914134483
Energy: 1.73902618747751
Energy: 1.8991615171523168
Energy: 1.7646887253603472
Energy: 1.899161517153303
Energy: 1.7390261874765238
Energy: 1.8991615171523168
Energy: 1.7408642609629619
Energy: 2.0154140150312565
Energy: 1.7633897982389044
Energy: 2.0154140150312565
Energy: 1.7408642609629619
Energy: 2.0154140150312565
Energy: 1.720143772114187
Energy: 2.0659941700144993
Energy: 1.8374003193299695
Energy: 2.0659941700144993
Energy: 1.720143772114187
Energy: 2.0659941700214026
Energy: 1.867191357076898
Energy: 1.853967249757984
Energy: 1.762911346440863
Energy: 1.853967249757984
Energy: 1.867191357076898
Energy: 1.853967249757984
Energy: 1.8674606372858582
Energy: 1.8475670956034655
Energy: 1.7632152684826878
Energy: 1.8475670956024794
Energy: 1.8674606372868447
Energy: 1.8475670956034655
Energy: 1.741630741101351
Energy: 2.0655980820775213
Energy: 1.7630842945480407
Energy: 2.0655980820785076
Energy: 1.741630741101351
Energy: 2.0655980820775213
Energy: 1.7391586687335254
Energy: 1.8762806052114795
Energy: 1.762891313511753
Energy: 1.8762806052114795
Energy: 1.7391586687315754
Energy: 1.8762806052114795
Energy: 1.7390454817470011
Energy: 2.0316496231847685
Energy: 1.7310286197123517
Energy: 2.031649623185755
Energy: 1.7390454817479872
Energy: 2.0316496231847685
Energy: 1.7393866609778386
Energy: 1.7026728241014972
Energy: 1.7030026322042024
Energy: 1.7026728241024833
Energy: 1.7393866609778386
Energy: 1.7026728241024833
Energy: 1.7390195776850177
Energy: 1.7188347056700757
Energy: 1.7023671190728642
Energy: 1.7188347056690896
Energy: 1.7390195776850177
Energy: 1.7188347056700757

minimum gb energy = 1.70236451029239 eV
minimum distance =  2.1079311295817 Angstroms
sigma value = 101


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

Energy: 1.88910604662557
Energy: 2.1352394918430115
Energy: 1.739638850957264
Energy: 2.1352394918447457
Energy: 1.8891060466221026
Energy: 2.1352394918257134
Energy: 1.718372800337623
Energy: 1.9090270954780544
Energy: 1.7198437382334164
Energy: 1.9090270954780544
Energy: 1.718372800337623
Energy: 1.9090270954780544
Energy: 1.6189790536386541
Energy: 1.6479845796172916
Energy: 1.7179678675803547
Energy: 1.6479845796181583
Energy: 1.6189790536386541
Energy: 1.6479845796172916
Energy: 1.6477480296901423
Energy: 1.9909691920211037
Energy: 1.6190902804322813
Energy: 1.9871261658781068
Energy: 1.6477480296901423
Energy: 1.9806876255615604
Energy: 1.6482340153234518
Energy: 1.6192712925239912
Energy: 1.6299850614188112
Energy: 1.6192712925239912
Energy: 1.6482340153234518
Energy: 1.6192712925239912
Energy: 1.6187499799161897
Energy: 1.9798327186190623
Energy: 1.6481393933570545
Energy: 1.9798327186190623
Energy: 1.6187499799161897
Energy: 1.9798327186190623
Energy: 1.619033037407154
Energy: 1.943994806332699
Energy: 1.6490781195323592
Energy: 1.9439948063309653
Energy: 1.619033037407154
Energy: 1.9439948063309653
Energy: 1.6212820545164415
Energy: 1.974294929184761
Energy: 1.6200559343707261
Energy: 1.741132528823502
Energy: 1.6212820545164415
Energy: 1.6289448647562195
Energy: 1.6478875401995932
Energy: 1.9449225423067578
Energy: 1.6189508748053765
Energy: 1.944922542305891
Energy: 1.6478875401995932
Energy: 1.9449225423067578
Energy: 1.6500191945338494
Energy: 1.6193975874406614
Energy: 1.649073117177965
Energy: 1.6193975874406614
Energy: 1.6500191945338494
Energy: 1.6193975874406614
Energy: 1.6219741422379248
Energy: 1.9610099330988344
Energy: 1.7101162592760641
Energy: 1.9610099330979676
Energy: 1.6219741422379248
Energy: 1.9610099330988344
Energy: 1.7199739277370147
Energy: 1.6649258680427346
Energy: 1.6496545494845245
Energy: 1.6649258680444683
Energy: 1.7199739277387485
Energy: 1.664925868045335
Energy: 1.718014210914866
Energy: 1.8671068748441066
Energy: 1.6478989901935728
Energy: 1.8671068748458404
Energy: 1.718014210914866
Energy: 1.8671068748458404
Energy: 1.6191372795332712
Energy: 1.669515412528254
Energy: 1.7185844160539767
Energy: 1.684602731801527
Energy: 1.6191372795332712
Energy: 1.6695154125299878
Energy: 1.6487947684815494
Energy: 1.7761961597654123
Energy: 1.7184245313442001
Energy: 1.7761961597654123
Energy: 1.6487947684815494
Energy: 1.7761961597654123
Energy: 1.7177479889731573
Energy: 2.0426864072484467
Energy: 1.6199836012535853
Energy: 2.0426864072484467
Energy: 1.7177479889731573
Energy: 2.0426864072484467
Energy: 1.6488991912647593
Energy: 1.9881529111797356
Energy: 1.6477193353300346
Energy: 1.9881529111806027
Energy: 1.6488991912638924
Energy: 1.9881529111806027
Energy: 1.6195920671740696
Energy: 1.6189025115148563
Energy: 1.6499232953561938
Energy: 1.6189025115157232
Energy: 1.6195920671749366
Energy: 1.6189025115157232
Energy: 1.669253167906818
Energy: 1.929996725578138
Energy: 1.6188698851206829
Energy: 1.9299967255790051
Energy: 1.669253167906818
Energy: 1.9299967255790051
Energy: 1.6487550186359758
Energy: 1.6287462931170635
Energy: 1.6499642788502833
Energy: 1.6287462931161967
Energy: 1.6487550186359758
Energy: 1.6287462931118624
Energy: 1.636184265931709
Energy: 1.8499943809532458
Energy: 1.6188667484281665
Energy: 1.8499943809532458
Energy: 1.636184265931709
Energy: 1.8499943809532458
Energy: 1.6483150905289259
Energy: 1.8272632625072767
Energy: 1.6501401581280315
Energy: 1.8272632625072767
Energy: 1.6483150905289259
Energy: 1.8272632625072767
Energy: 1.6333003015397525
Energy: 1.9295879308711454
Energy: 1.647910833243854
Energy: 1.9295879308702788
Energy: 1.6333003015388856
Energy: 1.9295879308711454
Energy: 1.6478231169029327
Energy: 1.9876153904826626
Energy: 1.6281249746252728
Energy: 1.9876153904835294
Energy: 1.6478231169029327
Energy: 1.9876153904826626
Energy: 1.6479880106763198
Energy: 1.7692007054463363
Energy: 1.6485936911052972
Energy: 1.7692007054472032
Energy: 1.6479880106763198
Energy: 1.7692007054472032
Energy: 1.6499780903645682
Energy: 2.0431064833764423
Energy: 1.7176583976763176
Energy: 2.0431064833773087
Energy: 1.6499780903645682
Energy: 2.0431064833764423
Energy: 1.718160081576183
Energy: 1.751357362203966
Energy: 1.6491488194980493
Energy: 1.751357362203966
Energy: 1.718160081576183
Energy: 1.751357362204833
Energy: 1.719234553163978
Energy: 1.6657308536101634
Energy: 1.6484030453807819
Energy: 1.6657308536101634
Energy: 1.719234553163978
Energy: 1.6657308536101634
Energy: 1.6766175224718782
Energy: 2.0439003143527126
Energy: 1.781037263707641
Energy: 2.0439003143527126
Energy: 1.6766175224718782
Energy: 2.0439003143527126
Energy: 1.6501883804216095
Energy: 1.6311469317749365
Energy: 1.6481673336924791
Energy: 1.6311469317758034
Energy: 1.6501883804216095
Energy: 1.63114693177667
Energy: 1.6476676065165325
Energy: 1.6193866790548184
Energy: 1.618861138264933
Energy: 1.6193866790548184
Energy: 1.6476676065173994
Energy: 1.6193866790548184
Energy: 1.6494049029821642
Energy: 1.9295038363729788
Energy: 1.6483139494033703
Energy: 1.9295038363729788
Energy: 1.6494049029812974
Energy: 1.929503836372112
Energy: 1.6478585889061619
Energy: 1.6283834193255378
Energy: 1.633483149873424
Energy: 1.6283834193246711
Energy: 1.6478585889061619
Energy: 1.628383419323804

minimum gb energy = 1.6187499799161897 eV
minimum distance =  2.10828911810052 Angstroms
sigma value = 33


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

Energy: 0.015934721365796302
Energy: 0.01656900664309914
Energy: 1.336853735827183
Energy: 0.016569006643819398
Energy: 0.015934721365796302
Energy: 0.01656900664309914
Energy: 0.01605332179951201
Energy: 1.108982696682849
Energy: 0.016053321798791754
Energy: 1.1089826966821286
Energy: 0.01605332179951201
Energy: 1.1089826966835292
Energy: 1.7624097734816395
Energy: 0.01656900664309914
Energy: 0.015934721365796302
Energy: 0.01656900664309914
Energy: 1.7624097734816395
Energy: 0.016569006643819398
Energy: 0.016053321798791754
Energy: 1.1089826966821286
Energy: 0.01605332179951201
Energy: 1.1089826966807284
Energy: 0.016053321798791754
Energy: 1.1089826966835292

minimum gb energy = 0.015934721365796302 eV
minimum distance =  2.39564842774773 Angstroms
sigma value = 1