Model name: model_name=MEAM_LAMMPS_WuLeeSu_2017_NiFe__MO_321233176498_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.521391749382019
cohesive_energy=4.450349977866791
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.01814676666138779
Energy: 1.2209110280589641
Energy: 0.01814676666138779
Energy: 1.2209110280592947
Energy: 0.01814676666138779
Energy: 1.2209110280589641
Energy: 1.2209110280589641
Energy: 1.4668541639357329
Energy: 1.2209110280592947
Energy: 1.4668541639354022
Energy: 1.2209110280592947
Energy: 1.4668541639360266
Energy: 0.01814676666138779
Energy: 1.2209110280589641
Energy: 0.01814676666138779
Energy: 1.2209110280592947
Energy: 0.01814676666138779
Energy: 1.2209110280592947
Energy: 1.2209110280589641
Energy: 1.4668541639350716
Energy: 1.2209110280592947
Energy: 1.466854163937018
Energy: 1.2209110280592947
Energy: 1.4668541639379729
Energy: 0.01814676666138779
Energy: 1.2209110280592947
Energy: 0.01814676666138779
Energy: 1.2209110280592947
Energy: 0.01814676666138779
Energy: 1.2209110280589641
Energy: 1.2209110280592947
Energy: 1.4668541639366877
Energy: 1.2209110280592947
Energy: 1.4668541639357329
Energy: 1.2209110280592947
Energy: 1.4668541639373485

minimum gb energy = 0.01814676666138779 eV
minimum distance =  2.36839944580425 Angstroms
sigma value = 1


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

Energy: 1.5750036256241768
Energy: 1.5089368322379155
Energy: 1.5750036256241768
Energy: 1.5089368322379155
Energy: 1.5750036256241768
Energy: 1.5089368322379155
Energy: 1.7441817655096288
Energy: 1.4074979114668749
Energy: 1.7441817655104241
Energy: 1.4074979114668749
Energy: 1.7441817655088334
Energy: 1.4074979114668749
Energy: 1.5537390348392663
Energy: 1.5819951754849015
Energy: 1.55373903483688
Energy: 1.5819951754849015
Energy: 1.5537390348384708
Energy: 1.5819951754849015
Energy: 1.6507431453072536
Energy: 1.4858741340802881
Energy: 1.6507431453064583
Energy: 1.4858741340802881
Energy: 1.6507431453056627
Energy: 1.4858741340802881
Energy: 1.5051624830686285
Energy: 1.6531380358264578
Energy: 1.5051624830670374
Energy: 1.6531380358272538
Energy: 1.5051624830678332
Energy: 1.6531380358264578
Energy: 1.623580563468301
Energy: 1.4412518134126093
Energy: 1.623580563468301
Energy: 1.4412518134126093
Energy: 1.623580563468301
Energy: 1.4412518134118142
Energy: 1.4535538060995756
Energy: 1.5468308096078862
Energy: 1.4535538060995756
Energy: 1.5468308096086816
Energy: 1.4535538060995756
Energy: 1.5468308096086816
Energy: 1.4540049575973175
Energy: 1.6776950508101267
Energy: 1.4540049575989087
Energy: 1.6776950508093313
Energy: 1.4540049575989087
Energy: 1.6776950508101267
Energy: 1.61061186621399
Energy: 1.5461252115350999
Energy: 1.6106118662131945
Energy: 1.5461252115350999
Energy: 1.6106118662131945
Energy: 1.5461252115350999
Energy: 1.388693040269615
Energy: 1.656098722187015
Energy: 1.388693040269615
Energy: 1.656098722187015
Energy: 1.3886930402688191
Energy: 1.656098722187015
Energy: 1.5875233975790037
Energy: 1.439144204633017
Energy: 1.5875233975782082
Energy: 1.439144204633017
Energy: 1.5875233975782082
Energy: 1.439144204633017
Energy: 1.3677387747223215
Energy: 1.8993929874595368
Energy: 1.367738774721526
Energy: 1.8993929874595368
Energy: 1.3677387747223215
Energy: 1.8993929874595368
Energy: 1.6952901006917602
Energy: 1.3535396259288912
Energy: 1.6952901006925556
Energy: 1.3535396259288912
Energy: 1.6952901006917602
Energy: 1.3535396259296868
Energy: 1.4608759102243074
Energy: 1.4889764903178213
Energy: 1.460875910225103
Energy: 1.4889764903178213
Energy: 1.460875910225103
Energy: 1.4889764903178213
Energy: 1.7711550472155175
Energy: 1.4012565882177719
Energy: 1.7711550472147215
Energy: 1.4012565882177719
Energy: 1.7711550472155175
Energy: 1.4012565882177719
Energy: 1.765278432644166
Energy: 1.599777027578185
Energy: 1.765278432644166
Energy: 1.599777027578185
Energy: 1.7652784326433706
Energy: 1.599777027578185
Energy: 1.5319659368360716
Energy: 1.5455680173527742
Energy: 1.5319659368352758
Energy: 1.5455680173535697
Energy: 1.5319659368360716
Energy: 1.5455680173527742
Energy: 1.534935903382305
Energy: 1.4718594378121057
Energy: 1.5349359033815093
Energy: 1.4718594378129013
Energy: 1.5349359033815093
Energy: 1.4718594378121057
Energy: 1.532517302264945
Energy: 1.4818445545226595
Energy: 1.532517302264945
Energy: 1.4818445545226595
Energy: 1.532517302264945
Energy: 1.4818445545226595
Energy: 1.6014995151658675
Energy: 1.4400334279448987
Energy: 1.6014995151658675
Energy: 1.4400334279456943
Energy: 1.6014995151658675
Energy: 1.4400334279448987
Energy: 1.4201803686424301
Energy: 1.9091799150846285
Energy: 1.420180368644021
Energy: 1.9091799150854238
Energy: 1.4201803686432255
Energy: 1.9091799150846285
Energy: 1.5967711051142364
Energy: 1.5494488648297426
Energy: 1.5967711051150322
Energy: 1.5494488648297426
Energy: 1.5967711051142364
Energy: 1.5494488648297426
Energy: 1.3900279512678686
Energy: 1.6950973152599438
Energy: 1.3900279512686644
Energy: 1.6950973152591482
Energy: 1.3900279512678686
Energy: 1.6950973152591482

minimum gb energy = 1.3535396259288912 eV
minimum distance =  2.25206624902634 Angstroms
sigma value = 33


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

Energy: 1.6639711405804225
Energy: 1.6754463754987787
Energy: 1.5593876043434172
Energy: 1.6754463754969686
Energy: 1.6639711405804225
Energy: 1.6754463754983262
Energy: 1.6705818162970312
Energy: 1.495089580367677
Energy: 1.6705818162974835
Energy: 1.495089580367677
Energy: 1.6705818162965789
Energy: 1.495089580368582
Energy: 1.455436822781296
Energy: 1.4849497478198634
Energy: 1.4554368227826533
Energy: 1.4849497478198634
Energy: 1.4554368227817485
Energy: 1.4849497478194107
Energy: 1.7221606680698838
Energy: 1.6626610602129346
Energy: 1.7221606680707888
Energy: 1.6626610602129346
Energy: 1.7221606680703363
Energy: 1.662661060213387
Energy: 1.5567604853976535
Energy: 1.5443611221317073
Energy: 1.556760485397201
Energy: 1.5443611374524167
Energy: 1.556760485397201
Energy: 1.5443611490890174
Energy: 1.5209402720065692
Energy: 1.4401847229303404
Energy: 1.5209402720065692
Energy: 1.440184722930793
Energy: 1.5209402720070218
Energy: 1.4401847229303404
Energy: 1.6876683900316118
Energy: 1.5603000423206572
Energy: 1.6876683900307068
Energy: 1.5603000423206572
Energy: 1.6876683900316118
Energy: 1.5603000423206572
Energy: 1.3554294706426748
Energy: 1.664491205555395
Energy: 1.3554294706413172
Energy: 1.664491205555395
Energy: 1.3554294706426748
Energy: 1.664491205554943
Energy: 1.4172969472730348
Energy: 1.4385598624332938
Energy: 1.4172969472721302
Energy: 1.4385598624332938
Energy: 1.4172969472730348
Energy: 1.4385598624328413
Energy: 1.4224632240282489
Energy: 1.7127343595280546
Energy: 1.422506388499027
Energy: 1.7127343595285074
Energy: 1.4224632240282489
Energy: 1.7127343595276023
Energy: 1.8187334783672102
Energy: 1.4398239295859656
Energy: 1.8187334783672102
Energy: 1.439823929585513
Energy: 1.818733478366758
Energy: 1.4398239295859656
Energy: 1.4389381693947805
Energy: 1.5491414271336608
Energy: 1.4389391623367889
Energy: 1.5491414271336608
Energy: 1.4389381693947805
Energy: 1.5491414271332082
Energy: 1.5598672719612678
Energy: 1.4398219433226198
Energy: 1.664720066251985
Energy: 1.4398219433226198
Energy: 1.5598672719617204
Energy: 1.4398219433221675
Energy: 1.5595114128278111
Energy: 1.6795101731943218
Energy: 1.6641262054589787
Energy: 1.6795101731956796
Energy: 1.5595114128273584
Energy: 1.6795101731943218
Energy: 1.5661651501199036
Energy: 1.4856212919244833
Energy: 1.5661651501221663
Energy: 1.4856212919244833
Energy: 1.5661651501208085
Energy: 1.4856212919244833
Energy: 1.438005514754371
Energy: 1.494104390778956
Energy: 1.4380055147539188
Energy: 1.494104390778051
Energy: 1.4380055147539188
Energy: 1.4941043907785034
Energy: 1.765905493770456
Energy: 1.5910604382821698
Energy: 1.7659054937709084
Energy: 1.5910604382821698
Energy: 1.765905493770456
Energy: 1.5910604382826221
Energy: 1.5562989550339983
Energy: 1.4380801109229924
Energy: 1.5562989550339983
Energy: 1.4380801109229924
Energy: 1.5562989550339983
Energy: 1.4380801109238976
Energy: 1.5234102600232544
Energy: 1.495715672999231
Energy: 1.5234102600241595
Energy: 1.4957156729987782
Energy: 1.5234102600232544
Energy: 1.4957156729987782
Energy: 1.6807352228052248
Energy: 1.5640342124721585
Energy: 1.680735222807035
Energy: 1.5640342124721585
Energy: 1.6807352228052248
Energy: 1.5640342124721585
Energy: 1.3734829408344533
Energy: 1.6652246210911201
Energy: 1.3734829408335483
Energy: 1.6652246210911201
Energy: 1.3734829408340008
Energy: 1.6652246210906678
Energy: 1.4833637410478058
Energy: 1.4570905170577886
Energy: 1.4833637410478058
Energy: 1.4570905170577886
Energy: 1.4833637410478058
Energy: 1.4570905170577886
Energy: 1.4221223576741662
Energy: 1.7143156483533026
Energy: 1.4221338643244352
Energy: 1.714315648354208
Energy: 1.4221223576741662
Energy: 1.7143156483523976
Energy: 1.7295481399997992
Energy: 1.557720770008301
Energy: 1.7295481489035547
Energy: 1.5577207700078481
Energy: 1.7295480254542057
Energy: 1.5577207700087534
Energy: 1.4555752102294235
Energy: 1.5210384403376909
Energy: 1.455255353603238
Energy: 1.5210384403372383
Energy: 1.455575210228971
Energy: 1.5210384403372383
Energy: 1.6645931237868998
Energy: 1.6400081112020697
Energy: 1.5600812610495156
Energy: 1.640008111202975
Energy: 1.664593123787805
Energy: 1.6400081112034273
Energy: 1.664690513444913
Energy: 1.5957579146995644
Energy: 1.5618124434344651
Energy: 1.5957579146995644
Energy: 1.6646905134444603
Energy: 1.595757914699112
Energy: 1.4378019950500218
Energy: 1.4837324247954864
Energy: 1.4378019950509269
Energy: 1.4837324247954864
Energy: 1.4378019950504743
Energy: 1.4837324247959391
Energy: 1.711937493847005
Energy: 1.4704258418403282
Energy: 1.7119374938474579
Energy: 1.4704258418398757
Energy: 1.711937493847005
Energy: 1.4704258418394232
Energy: 1.433884450655803
Energy: 1.8379550467149834
Energy: 1.4338844506535404
Energy: 1.8379550467145311
Energy: 1.433884450655803
Energy: 1.8379550467145311
Energy: 1.5559946084129561
Energy: 1.438939994530997
Energy: 1.5559946084120513
Energy: 1.438939994530997
Energy: 1.5559946084129561
Energy: 1.438939994530997
Energy: 1.4604029519832866
Energy: 1.561642418134004
Energy: 1.4604029519823813
Energy: 1.561642418134004
Energy: 1.4604029519832866
Energy: 1.5616424181344566
Energy: 1.6754270003496794
Energy: 1.5638135786058591
Energy: 1.6754270003510368
Energy: 1.5638135786063116
Energy: 1.6754270003496794
Energy: 1.5638135786067644
Energy: 1.491764913603
Energy: 1.565004242247528
Energy: 1.4917649136007374
Energy: 1.5650042422479806
Energy: 1.4917649136025475
Energy: 1.565004242247528
Energy: 1.4923490009131046
Energy: 1.4399589653469316
Energy: 1.492349000910842
Energy: 1.4399589653469316
Energy: 1.4923490009126519
Energy: 1.4399589653473839
Energy: 1.6640570705671718
Energy: 1.7180450700014425
Energy: 1.664057070567624
Energy: 1.7180450700014425
Energy: 1.6640570705671718
Energy: 1.7180450700014425
Energy: 1.43940974799476
Energy: 1.5565067231071654
Energy: 1.4392289900877322
Energy: 1.5565067231071654
Energy: 1.43940974799476
Energy: 1.5565067231076182
Energy: 1.4955997033261856
Energy: 1.5213025946980858
Energy: 1.4904760593922737
Energy: 1.5213025946985386
Energy: 1.4955997033266382
Energy: 1.521302594697181
Energy: 1.5593873924341637
Energy: 1.6814325659868397
Energy: 1.6644649372379003
Energy: 1.6814325659877447
Energy: 1.5593873924341637
Energy: 1.6814325659868397
Energy: 1.66433851238754
Energy: 1.3532299546442317
Energy: 1.66433851238754
Energy: 1.353229954645137
Energy: 1.6643385123879928
Energy: 1.3532299546446844
Energy: 1.439223195776418
Energy: 1.4163701660536643
Energy: 1.439223195773703
Energy: 1.4163701660532118
Energy: 1.4392231957755135
Energy: 1.4163701660536643

minimum gb energy = 1.3532299546442317 eV
minimum distance =  2.33960038271414 Angstroms
sigma value = 51


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

Energy: 1.5494690561593867
Energy: 1.5767998939568306
Energy: 1.5494690561593867
Energy: 1.5767998939557821
Energy: 1.5494690561593867
Energy: 1.5767998939557821
Energy: 1.6678351584089255
Energy: 1.5164560471553261
Energy: 1.6678351584089255
Energy: 1.5164560471553261
Energy: 1.6678351584089255
Energy: 1.5164560471553261
Energy: 1.482899006835062
Energy: 1.5561514525804228
Energy: 1.4828990068361105
Energy: 1.556151452579374
Energy: 1.482899006835062
Energy: 1.556151452579374
Energy: 1.5393326297091015
Energy: 1.4030817024876336
Energy: 1.5393326297091015
Energy: 1.4030817024876336
Energy: 1.5393326297091015
Energy: 1.4030817024876336
Energy: 1.6036629081763458
Energy: 1.499972529716964
Energy: 1.6036629081763458
Energy: 1.499972529716964
Energy: 1.603662908175297
Energy: 1.499972529716964
Energy: 1.6023330248904581
Energy: 1.500100905154649
Energy: 1.6023330248904581
Energy: 1.500100905154649
Energy: 1.6023330248904581
Energy: 1.5001009051556973
Energy: 1.5490401948059715
Energy: 1.4994369410656874
Energy: 1.549040194804923
Energy: 1.4994369410667359
Energy: 1.5490401948059715
Energy: 1.4994369410656874
Energy: 1.4420090693592367
Energy: 1.5005727520730012
Energy: 1.4420090693592367
Energy: 1.5005727520730012
Energy: 1.4420090693592367
Energy: 1.5005727520730012
Energy: 1.7763731542433747
Energy: 1.4028928222597326
Energy: 1.7763731542433747
Energy: 1.4028928222597326
Energy: 1.7763731542444232
Energy: 1.4028928222597326
Energy: 1.432137164212816
Energy: 1.7665925125753683
Energy: 1.432137164212816
Energy: 1.7665925125732713
Energy: 1.432137164212816
Energy: 1.7665925125743198
Energy: 1.6619801878149116
Energy: 1.4010924125795727
Energy: 1.6619801878159606
Energy: 1.4010924125795727
Energy: 1.6619801878159606
Energy: 1.4010924125785245
Energy: 1.5469026743059373
Energy: 1.5797573528265916
Energy: 1.5469026743059373
Energy: 1.5797573528265916
Energy: 1.5469026743048888
Energy: 1.5797573528265916
Energy: 1.6686086503669562
Energy: 1.51345316950761
Energy: 1.6686086503659077
Energy: 1.51345316950761
Energy: 1.6686086503669562
Energy: 1.51345316950761
Energy: 1.4832510991882448
Energy: 1.4708903274302796
Energy: 1.4832510991882448
Energy: 1.4708903274292313
Energy: 1.4832510991882448
Energy: 1.4708903274292313
Energy: 1.5782680469054422
Energy: 1.5488464227353513
Energy: 1.5782680469054422
Energy: 1.5488464227353513
Energy: 1.5782680469054422
Energy: 1.5488464227343028
Energy: 1.5876480536582682
Energy: 1.4998791693185798
Energy: 1.5876480536582682
Energy: 1.4998791693185798
Energy: 1.5876480536582682
Energy: 1.4998791693185798
Energy: 1.6021855832464948
Energy: 1.6194252004397853
Energy: 1.6021855832464948
Energy: 1.6194252004387368
Energy: 1.6021855832475433
Energy: 1.6194252004387368
Energy: 1.5475059909986086
Energy: 1.4995530081460808
Energy: 1.547505990999657
Energy: 1.4995530081460808
Energy: 1.547505990999657
Energy: 1.4995530081460808

minimum gb energy = 1.4010924125785245 eV
minimum distance =  2.25579142402805 Angstroms
sigma value = 19


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

Energy: 1.365439389654101
Energy: 1.4081670795062209
Energy: 1.3093532919240065
Energy: 1.4081670795062209
Energy: 1.365439389654101
Energy: 1.4081670795062209
Energy: 1.5548106257230379
Energy: 1.578636748330148
Energy: 1.5548106257230379
Energy: 1.578636748330148
Energy: 1.5548106257230379
Energy: 1.5786367483307702
Energy: 1.311275972909208
Energy: 1.5645428537712731
Energy: 1.3112759729085859
Energy: 1.5645428537712731
Energy: 1.311275972909208
Energy: 1.5645428537712731
Energy: 1.4535189240001194
Energy: 1.3111126241338344
Energy: 1.4535189240001194
Energy: 1.3111126241338344
Energy: 1.4535189240007411
Energy: 1.3111126241332125
Energy: 1.3582461780270503
Energy: 1.306695245440712
Energy: 1.3582461780276722
Energy: 1.30669524544009
Energy: 1.3582461780270503
Energy: 1.3066952454419556
Energy: 1.2889416952233559
Energy: 1.3067832950573703
Energy: 1.2889416952245998
Energy: 1.3067832950573703
Energy: 1.2889416952233559
Energy: 1.3067832950573703
Energy: 1.387070167168994
Energy: 1.311222676782449
Energy: 1.387070167168994
Energy: 1.311222676782449
Energy: 1.387070167168994
Energy: 1.311222676781827
Energy: 1.3111955027292903
Energy: 1.649818409359103
Energy: 1.311194307743289
Energy: 1.649818409359103
Energy: 1.3111955027299118
Energy: 1.649818409360347
Energy: 1.497336439668489
Energy: 1.598163278769286
Energy: 1.4973364396678668
Energy: 1.598163278769286
Energy: 1.4973364396678668
Energy: 1.5981632787686642
Energy: 1.3093532919246287
Energy: 1.4081670795062209
Energy: 1.3093532919240065
Energy: 1.4081670795062209
Energy: 1.3093532919240065
Energy: 1.4081670795062209
Energy: 1.5548106257236598
Energy: 1.5786367483307702
Energy: 1.5548106257230379
Energy: 1.5786367483307702
Energy: 1.5548106257236598
Energy: 1.5786367483313921
Energy: 1.311275972909208
Energy: 1.5645428537712731
Energy: 1.3112759729085859
Energy: 1.5645428537712731
Energy: 1.311275972909208
Energy: 1.5645428537712731
Energy: 1.453518924001363
Energy: 1.3111088297183386
Energy: 1.4535189240007411
Energy: 1.3111088297183386
Energy: 1.453518924001363
Energy: 1.3111088297170947
Energy: 1.3582461780276722
Energy: 1.306695245440712
Energy: 1.358246178028294
Energy: 1.306695245440712
Energy: 1.3582461780276722
Energy: 1.3066952454419556
Energy: 1.2889416952233559
Energy: 1.3067832950573703
Energy: 1.2889416952239776
Energy: 1.3067832950573703
Energy: 1.2889416952233559
Energy: 1.3067832950573703
Energy: 1.387070167168994
Energy: 1.311222676781827
Energy: 1.387070167168372
Energy: 1.311222676781827
Energy: 1.387070167168994
Energy: 1.311222676781827
Energy: 1.3112356672398031
Energy: 1.649818409359103
Energy: 1.3112125793178497
Energy: 1.649818409359103
Energy: 1.3112356672398031
Energy: 1.649818409359725
Energy: 1.5016633367319827
Energy: 1.598163278769286
Energy: 1.497336439668489
Energy: 1.598163278769908
Energy: 1.5016633367319827
Energy: 1.5981632787686642
Energy: 1.365439389653479
Energy: 1.4081670795062209
Energy: 1.3093532919240065
Energy: 1.4081670795062209
Energy: 1.365439389653479
Energy: 1.4081670795062209
Energy: 1.5548106257230379
Energy: 1.578636748330148
Energy: 1.5548106257236598
Energy: 1.578636748330148
Energy: 1.5548106257230379
Energy: 1.5786367483307702
Energy: 1.311275972909208
Energy: 1.5645428537712731
Energy: 1.3112759729079642
Energy: 1.5645428537712731
Energy: 1.3112759729085859
Energy: 1.564542853771895
Energy: 1.453518924001985
Energy: 1.3111126241338344
Energy: 1.453518924001985
Energy: 1.3111126241338344
Energy: 1.453518924001985
Energy: 1.3111126241332125
Energy: 1.3582461780270503
Energy: 1.306695245440712
Energy: 1.358246178028294
Energy: 1.306695245440712
Energy: 1.3582461780270503
Energy: 1.3066952454419556
Energy: 1.2889416952233559
Energy: 1.3067832950567484
Energy: 1.2889416952245998
Energy: 1.3067832950567484
Energy: 1.2889416952233559
Energy: 1.3067832950567484
Energy: 1.387070167168994
Energy: 1.311222676782449
Energy: 1.387070167168994
Energy: 1.311222676781827
Energy: 1.387070167168994
Energy: 1.311222676782449
Energy: 1.3111955027292903
Energy: 1.649818409360347
Energy: 1.311194307742667
Energy: 1.649818409359725
Energy: 1.3111955027292903
Energy: 1.649818409360969
Energy: 1.497336439669111
Energy: 1.598163278769286
Energy: 1.497336439668489
Energy: 1.598163278769286
Energy: 1.497336439669111
Energy: 1.5981632787680422
Energy: 1.3093532919246287
Energy: 1.4081670795062209
Energy: 1.3093532919246287
Energy: 1.4081670795062209
Energy: 1.3093532919240065
Energy: 1.4081670795062209
Energy: 1.5548106257230379
Energy: 1.578636748330148
Energy: 1.5548106257230379
Energy: 1.578636748329526
Energy: 1.5548106257230379
Energy: 1.578636748330148
Energy: 1.311275972909208
Energy: 1.5645428537712731
Energy: 1.3112759729079642
Energy: 1.5645428537712731
Energy: 1.311275972909208
Energy: 1.564542853771895

minimum gb energy = 1.2889416952233559 eV
minimum distance =  2.26433287838635 Angstroms
sigma value = 27


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

Energy: 1.2810405832937397
Energy: 1.2424518786423275
Energy: 1.2810405832937397
Energy: 1.2424518786423275
Energy: 1.2810405832937397
Energy: 1.2424518786423275
Energy: 1.6538434923901963
Energy: 1.2861812334663574
Energy: 1.6538434923901963
Energy: 1.2861812334663574
Energy: 1.6538434923901963
Energy: 1.2861812334663574
Energy: 1.355741742033037
Energy: 1.4332457693479514
Energy: 1.2056033866002691
Energy: 1.4332457693479514
Energy: 1.355741742033037
Energy: 1.4332457693479514
Energy: 1.4029638842919954
Energy: 1.2062034426402555
Energy: 1.4029638842919954
Energy: 1.2062034426402555
Energy: 1.4029638842919954
Energy: 1.2062034426402555
Energy: 1.6451059876452865
Energy: 1.206615404971027
Energy: 1.6451059876452865
Energy: 1.206615404971027
Energy: 1.6451059876452865
Energy: 1.206615404971027
Energy: 1.4408051069051022
Energy: 1.4977803937666365
Energy: 1.4408051069051022
Energy: 1.4977803937666365
Energy: 1.4408051069051022
Energy: 1.4977803937666365
Energy: 1.208000720146289
Energy: 1.288458532087294
Energy: 1.208000720146289
Energy: 1.2884585320857707
Energy: 1.208000720146289
Energy: 1.2884585320857707
Energy: 1.2772454867681229
Energy: 1.2487154922022876
Energy: 1.2772454867681229
Energy: 1.248715492203811
Energy: 1.2772454867681229
Energy: 1.2487154922022876
Energy: 1.6196126926670886
Energy: 1.3263702327728288
Energy: 1.6196126926670886
Energy: 1.326370233697107
Energy: 1.6196126926670886
Energy: 1.326370233167212
Energy: 1.3840493826481848
Energy: 1.4435657518429261
Energy: 1.3840493826481848
Energy: 1.4435657518429261
Energy: 1.3840493826481848
Energy: 1.4435657518414027
Energy: 1.3410479891899787
Energy: 1.2068506383783066
Energy: 1.3410479891899787
Energy: 1.2068506383767832
Energy: 1.3410479891899787
Energy: 1.2068506383783066
Energy: 1.4963455823418208
Energy: 1.366341324075904
Energy: 1.4963455823418208
Energy: 1.366341324075904
Energy: 1.4963455823418208
Energy: 1.366341324075904

minimum gb energy = 1.2056033866002691 eV
minimum distance =  2.24683051308812 Angstroms
sigma value = 9


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

Energy: 1.2423725890755828
Energy: 1.2658984698009061
Energy: 1.242372589076011
Energy: 1.2658984698004785
Energy: 1.242372589076011
Energy: 1.2658984698004785
Energy: 1.2986386741280938
Energy: 1.1408640786573157
Energy: 1.2986386741238523
Energy: 1.2034702870787612
Energy: 1.29863867412214
Energy: 1.2034702870783334
Energy: 1.1342927146297181
Energy: 1.3483946186474598
Energy: 1.134292714628862
Energy: 1.348394618648744
Energy: 1.1342927146292903
Energy: 1.3483946186491718
Energy: 1.1251004791343335
Energy: 1.0946991177980352
Energy: 1.1251004791343335
Energy: 1.0946991177980352
Energy: 1.125100479133477
Energy: 1.0946991177980352
Energy: 1.2230641299349387
Energy: 1.1711037872507424
Energy: 1.2230641299340828
Energy: 1.1711037872507424
Energy: 1.2230641299340828
Energy: 1.1711037872511703
Energy: 1.2190191578985434
Energy: 1.2509093300909349
Energy: 1.2190191579011114
Energy: 1.2260814338163657
Energy: 1.2190191578985434
Energy: 1.2260814338159376
Energy: 1.1511663491141553
Energy: 1.2731572127224424
Energy: 1.1511663491145832
Energy: 1.2731572127228703
Energy: 1.1511663491145832
Energy: 1.2731572127228703
Energy: 1.067237905608334
Energy: 1.3147764047439015
Energy: 1.0672379056091903
Energy: 1.3147764047443296
Energy: 1.067237905608334
Energy: 1.3147764047443296
Energy: 1.244722994337641
Energy: 1.1711077774110523
Energy: 1.2447229943355007
Energy: 1.1711077774119085
Energy: 1.2447229943359288
Energy: 1.1711077774110523
Energy: 1.2260617476004823
Energy: 1.5657734274105628
Energy: 1.2260617476017663
Energy: 1.5657734274105628
Energy: 1.2260617476013385
Energy: 1.5657734274101347
Energy: 1.1288535398795674
Energy: 1.0999986248516447
Energy: 1.1288535398799957
Energy: 1.0999986248516447
Energy: 1.1288535398795674
Energy: 1.0999986248512168
Energy: 1.161108121493689
Energy: 1.302778320796119
Energy: 1.1611081214945447
Energy: 1.302778320795691
Energy: 1.161108121494117
Energy: 1.302778320796119
Energy: 1.1902988216514512
Energy: 1.208449364854976
Energy: 1.1902988216514512
Energy: 1.2084493648554038
Energy: 1.190298821651879
Energy: 1.208449364854976
Energy: 1.2388307217937835
Energy: 1.5960550989955944
Energy: 1.2388307217929275
Energy: 1.596055098993454
Energy: 1.2388307217937835
Energy: 1.5960550989968785
Energy: 1.1123495400483379
Energy: 1.2336406275057958
Energy: 1.1123495400483379
Energy: 1.2336406275057958
Energy: 1.112349540048766
Energy: 1.2336406275057958
Energy: 1.1360718527047138
Energy: 1.1525880777475292
Energy: 1.136071852704286
Energy: 1.1525880777471011
Energy: 1.136071852704286
Energy: 1.1525880777471011
Energy: 1.4516155343981811
Energy: 1.094507329296597
Energy: 1.451615534396897
Energy: 1.0945073292978813
Energy: 1.4516155343981811
Energy: 1.0945073292983092
Energy: 1.1241484993773778
Energy: 1.172131551839313
Energy: 1.1241484993773778
Energy: 1.172131551839313
Energy: 1.1241484993773778
Energy: 1.1721315518397408
Energy: 1.063391390186936
Energy: 1.5260759355829157
Energy: 1.063391390187364
Energy: 1.5260759355833438
Energy: 1.063391390187364
Energy: 1.5260759355833438
Energy: 1.563092014117436
Energy: 1.3469376168289098
Energy: 1.563092014117436
Energy: 1.3768273293951254
Energy: 1.5630920141178641
Energy: 1.3768273293917013
Energy: 1.0633621725444418
Energy: 1.5262386543624786
Energy: 1.0633621725440137
Energy: 1.5262386543616229
Energy: 1.0633621725440137
Energy: 1.5262386543624786
Energy: 1.124368001604722
Energy: 1.1725167529649478
Energy: 1.124368001604294
Energy: 1.1725167529658036
Energy: 1.124368001604722
Energy: 1.1725167529658036
Energy: 1.4516275046198783
Energy: 1.094747145682136
Energy: 1.4516275046215907
Energy: 1.0947471456825641
Energy: 1.4516275046203064
Energy: 1.0947471456825641
Energy: 1.136063485582521
Energy: 1.2150231111893
Energy: 1.1360634855820928
Energy: 1.2150231111893
Energy: 1.136063485582521
Energy: 1.2150231111893
Energy: 1.1122986137799251
Energy: 1.2334359902195966
Energy: 1.1122986137794968
Energy: 1.2334359902195966
Energy: 1.1122986137799251
Energy: 1.2334359902200247
Energy: 1.2390955956966796
Energy: 1.3502348252094494
Energy: 1.2390955956958236
Energy: 1.3502348252094494
Energy: 1.2390955956953957
Energy: 1.3502348252094494
Energy: 1.1911585185090026
Energy: 1.2079871664492727
Energy: 1.1911585185072906
Energy: 1.2079871664492727
Energy: 1.1911585185085747
Energy: 1.2079871664492727
Energy: 1.1614953687363219
Energy: 1.1786477887415088
Energy: 1.1614953687354659
Energy: 1.1786477887410804
Energy: 1.1614953687350376
Energy: 1.1786477887410804
Energy: 1.1288301140209709
Energy: 1.0999476729549418
Energy: 1.128830114021399
Energy: 1.0999476729549418
Energy: 1.1288301140209709
Energy: 1.0999476729553699
Energy: 1.2253629895362868
Energy: 1.3209475302597087
Energy: 1.2253629895362868
Energy: 1.3209475302614206
Energy: 1.2253629895350029
Energy: 1.3209475302579965
Energy: 1.2446922921834316
Energy: 1.171392774205903
Energy: 1.2446922921872838
Energy: 1.171392774205047
Energy: 1.2446922921834316
Energy: 1.1713927742063308
Energy: 1.0673954769358802
Energy: 1.314791947637698
Energy: 1.0673954769345961
Energy: 1.314791947637698
Energy: 1.0673954769363083
Energy: 1.31479194763727
Energy: 1.1517008485082547
Energy: 1.2723483611249504
Energy: 1.1517008485091107
Energy: 1.2723483611240944
Energy: 1.1517008485078266
Energy: 1.2723483611240944
Energy: 1.2191897689104219
Energy: 1.2197197776947235
Energy: 1.2191897689091378
Energy: 1.2197197776942956
Energy: 1.2191897689095659
Energy: 1.2197197776951518
Energy: 1.22308656774787
Energy: 1.1714487974061263
Energy: 1.2230865677491543
Energy: 1.1714487974056984
Energy: 1.2230865677487262
Energy: 1.1714487974052703
Energy: 1.1251793527972052
Energy: 1.094790178486041
Energy: 1.1251793527972052
Energy: 1.0947901784856129
Energy: 1.1251793527980611
Energy: 1.0947901784851848
Energy: 1.134358649687193
Energy: 1.348273857138908
Energy: 1.134358649687193
Energy: 1.3482738571376238
Energy: 1.1343586496876212
Energy: 1.3482738571449002
Energy: 1.298750241809473
Energy: 1.1851374455343329
Energy: 1.2987502418103292
Energy: 1.1851374455347612
Energy: 1.298750241809473
Energy: 1.1851374455343329
Energy: 1.2423725890755828
Energy: 1.2658984698026186
Energy: 1.2423725890755828
Energy: 1.2658984698021905
Energy: 1.242372589076011
Energy: 1.2658984698021905
Energy: 1.2986386740934621
Energy: 1.2034702870791893
Energy: 1.298638674094318
Energy: 1.2034702870787612
Energy: 1.2986386740934621
Energy: 1.2034702870783334
Energy: 1.13429271463143
Energy: 1.3483946186483158
Energy: 1.1342927146297181
Energy: 1.348394618648744
Energy: 1.134292714630146
Energy: 1.3483946186491718
Energy: 1.125100479133477
Energy: 1.094699117795895
Energy: 1.1251004791326213
Energy: 1.094699117795895
Energy: 1.125100479133477
Energy: 1.094699117796323
Energy: 1.223064129935367
Energy: 1.1711037872515984
Energy: 1.2230641299349387
Energy: 1.1711037872511703
Energy: 1.2230641299357947
Energy: 1.1711037872515984

minimum gb energy = 1.0633621725440137 eV
minimum distance =  2.3128074713543 Angstroms
sigma value = 57


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

Energy: 0.6839966488757948
Energy: 0.67331585892762
Energy: 0.5358191638016822
Energy: 0.67331585892762
Energy: 0.6839966488757948
Energy: 0.6733158589285942
Energy: 0.8229235777307731
Energy: 0.6803603085889716
Energy: 0.8229235777307731
Energy: 0.6803603085889716
Energy: 0.8229235777297986
Energy: 0.6803603085889716
Energy: 0.729879280072437
Energy: 1.3265277367683546
Energy: 0.729879280072437
Energy: 1.3265277367683546
Energy: 0.729879280072437
Energy: 1.3265277367683546
Energy: 0.6747419291210733
Energy: 0.5355039319878379
Energy: 0.674741929120099
Energy: 0.5355039319878379
Energy: 0.6747419291210733
Energy: 0.5355039319878379
Energy: 0.694200730619674
Energy: 0.829214579221151
Energy: 0.694200730619674
Energy: 0.8292145792201766
Energy: 0.694200730619674
Energy: 0.8292145792201766
Energy: 0.5356698838617463
Energy: 0.7300050822695697
Energy: 0.5356698838617463
Energy: 0.7300050822695697
Energy: 0.5356698838617463
Energy: 0.7300050822695697
Energy: 0.5356808708519887
Energy: 0.6045719137690551
Energy: 0.5356808708539375
Energy: 0.6045719137680807
Energy: 0.5356808708519887
Energy: 0.6045719137671063
Energy: 0.8232690022930929
Energy: 0.700470177297886
Energy: 0.8232690022911441
Energy: 0.700470177297886
Energy: 0.8232690022930929
Energy: 0.700470177297886
Energy: 0.6749426415348381
Energy: 0.5355026852038453
Energy: 0.6749426415348381
Energy: 0.5355026852038453
Energy: 0.6749426415348381
Energy: 0.5355026852048196
Energy: 0.6043835560249745
Energy: 0.8223982143445916
Energy: 0.6043835560259488
Energy: 0.8223982143445916
Energy: 0.6043835560259488
Energy: 0.8223982143426428
Energy: 0.6944533513551754
Energy: 0.8727753571793345
Energy: 0.6944533513561498
Energy: 0.8727753571783601
Energy: 0.694453351354201
Energy: 0.8727753571783601
Energy: 0.6839966488777436
Energy: 0.67331585892762
Energy: 0.5358191638007078
Energy: 0.6733158589266457
Energy: 0.6839966488777436
Energy: 0.67331585892762
Energy: 0.8229235777297986
Energy: 0.6803603085879971
Energy: 0.8229235777317475
Energy: 0.6803603085879971
Energy: 0.8229235777297986
Energy: 0.6803603085889716
Energy: 0.729879280072437
Energy: 1.3265277367683546
Energy: 0.7298792800714626
Energy: 1.3265277367683546
Energy: 0.729879280072437
Energy: 1.3265277367683546
Energy: 0.6747419291210733
Energy: 0.5355039319897866
Energy: 0.674741929120099
Energy: 0.5355039319897866
Energy: 0.6747419291210733
Energy: 0.5355039319888123
Energy: 0.694200730619674
Energy: 0.8292145792201766
Energy: 0.6942007306206484
Energy: 0.8292145792201766
Energy: 0.694200730619674
Energy: 0.8292145792201766
Energy: 0.5356698838617463
Energy: 0.7300050822705442
Energy: 0.5356698838627206
Energy: 0.7300050822705442
Energy: 0.5356698838617463
Energy: 0.7300050822705442
Energy: 0.535680870852963
Energy: 0.6045719137680807
Energy: 0.535680870852963
Energy: 0.6045719137680807
Energy: 0.535680870852963
Energy: 0.6045719137690551
Energy: 0.8232690022921184
Energy: 0.700470177297886
Energy: 0.8232690022911441
Energy: 0.7004701772969115
Energy: 0.8232690022921184
Energy: 0.700470177297886

minimum gb energy = 0.5355026852038453 eV
minimum distance =  2.40709477697556 Angstroms
sigma value = 11


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

Energy: 1.1103555438619497
Energy: 1.1657393761524664
Energy: 1.1103555438605222
Energy: 1.165739376151753
Energy: 1.1103555438612358
Energy: 1.165739376151753
Energy: 1.2643199574049184
Energy: 1.1553625816170934
Energy: 1.2643199574042046
Energy: 1.1553625816170934
Energy: 1.264319957405632
Energy: 1.1553625816163797
Energy: 1.322546208478534
Energy: 1.6244340059632527
Energy: 1.3789925299486234
Energy: 1.624434005962539
Energy: 1.3447916729477174
Energy: 1.6244340059618254
Energy: 1.3631712821318749
Energy: 0.9938282069566006
Energy: 1.3631712821318749
Energy: 0.9938282069566006
Energy: 1.363171282131161
Energy: 0.9938282069566006
Energy: 1.1335022353897557
Energy: 0.9367685053899947
Energy: 1.1335022353904693
Energy: 0.9367685053899947
Energy: 1.1335022353897557
Energy: 0.9367685053899947
Energy: 1.123297474071542
Energy: 1.0663509340842543
Energy: 1.1232974740708284
Energy: 1.066350934084968
Energy: 1.123297474071542
Energy: 1.0663509340842543
Energy: 0.9665370406017774
Energy: 1.3348900789362466
Energy: 0.9665370406032048
Energy: 1.334890078934819
Energy: 0.9665370406024911
Energy: 1.334890078934819
Energy: 1.1729488883547328
Energy: 0.9046909980399758
Energy: 1.1729488883540193
Energy: 0.9046909980392621
Energy: 1.1729488883540193
Energy: 0.9046909980399758
Energy: 1.169695715766041
Energy: 0.9207304774535663
Energy: 1.169695715766041
Energy: 0.9207304774535663
Energy: 1.1696957157653272
Energy: 0.9207304774535663
Energy: 0.9244968030111771
Energy: 1.442396877660843
Energy: 0.9244968030104632
Energy: 1.442396877660843
Energy: 0.9244968030126045
Energy: 1.442396877660843
Energy: 1.1463884927820502
Energy: 1.4268722835739833
Energy: 1.1463884927820502
Energy: 1.4268722835739833
Energy: 1.1463884927806227
Energy: 1.4268722835739833
Energy: 1.1353160493997867
Energy: 0.9369312142855494
Energy: 1.1353160494005003
Energy: 0.9369312142869769
Energy: 1.1353160493997867
Energy: 0.9369312142862631
Energy: 1.2058631529461816
Energy: 0.9994858926468105
Energy: 1.205863152945468
Energy: 0.9994858926475244
Energy: 1.2058631529440405
Energy: 0.9994858926468105
Energy: 1.2734615282545454
Energy: 1.592520704228867
Energy: 1.2734615282552593
Energy: 1.592520704228867
Energy: 1.2734615282552593
Energy: 1.592520704228867
Energy: 1.2416346146145778
Energy: 1.154331044568259
Energy: 1.2416346146145778
Energy: 1.154331044568259
Energy: 1.2416346146145778
Energy: 1.154331044568259
Energy: 1.0221306409839648
Energy: 1.1659972448228184
Energy: 1.0221306409818236
Energy: 1.1659972448228184
Energy: 1.0221306409832511
Energy: 1.165997244823532
Energy: 1.0470401914697454
Energy: 1.1338827532452398
Energy: 1.0470401914690315
Energy: 1.1338827532466673
Energy: 1.0470401914697454
Energy: 1.1338827532452398
Energy: 1.455525718170964
Energy: 1.5529217592947258
Energy: 1.4555257181716776
Energy: 1.5529217592954392
Energy: 1.455525718170964
Energy: 1.5529217592954392
Energy: 1.358892643057407
Energy: 0.9893941326457353
Energy: 1.3588926430566934
Energy: 0.9893941326457353
Energy: 1.3588926430566934
Energy: 0.9893941326450214
Energy: 1.1350827470248253
Energy: 1.0679307059612173
Energy: 1.1350827470233977
Energy: 1.0679307059612173
Energy: 1.1350827470241116
Energy: 1.0679307059619312
Energy: 0.9260870971991157
Energy: 1.067724049914655
Energy: 0.9260870971998294
Energy: 1.067724049913941
Energy: 0.9260870971991157
Energy: 1.067724049913941
Energy: 1.2212055982095091
Energy: 1.3353906872082077
Energy: 1.221205598207368
Energy: 1.3353906872089214
Energy: 1.2212055982080816
Energy: 1.3353906872089214
Energy: 1.1958057265098438
Energy: 1.0926940970569656
Energy: 1.1958057265098438
Energy: 1.0926940970569656
Energy: 1.1958057265105577
Energy: 1.0926940970569656
Energy: 1.1701101051052276
Energy: 1.033913992471098
Energy: 1.1701101051052276
Energy: 1.0339139924703842
Energy: 1.1701101051059413
Energy: 1.033913992471098
Energy: 0.9260685143073578
Energy: 1.4025495030138764
Energy: 0.9260685143045029
Energy: 1.4025495030145902
Energy: 0.9260685143045029
Energy: 1.4025495030138764
Energy: 1.6403689175025096
Energy: 1.429187302487573
Energy: 1.640368917503937
Energy: 1.429187302487573
Energy: 1.6403689175025096
Energy: 1.429187302487573

minimum gb energy = 0.9046909980392621 eV
minimum distance =  2.30008792335424 Angstroms
sigma value = 41


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

Energy: 1.260566407588264
Energy: 1.094571324734938
Energy: 1.2605664075893892
Energy: 1.094571324734938
Energy: 1.260566407588827
Energy: 1.094571324734938
Energy: 1.3197691395943834
Energy: 1.3472414810240911
Energy: 1.3197691395949458
Energy: 1.3472414810240911
Energy: 1.3197691395949458
Energy: 1.3472414810246538
Energy: 1.6099342039206421
Energy: 1.8453661519708744
Energy: 1.6099342039200797
Energy: 1.845366151970312
Energy: 1.6099342039200797
Energy: 1.845366151970312
Energy: 1.27655421949356
Energy: 1.0413587091441632
Energy: 1.2765542194941226
Energy: 1.0413587091447256
Energy: 1.2765542194941226
Energy: 1.0413587091441632
Energy: 1.0112211746740303
Energy: 1.0938362699656548
Energy: 1.0112211746745932
Energy: 1.093836269965092
Energy: 1.0112211746745932
Energy: 1.0938362699656548
Energy: 1.2925605929487785
Energy: 1.275747620756189
Energy: 1.292560592948216
Energy: 1.2757476207556266
Energy: 1.2925605929487785
Energy: 1.2757476207556266
Energy: 1.051689069297377
Energy: 1.4399475383285654
Energy: 1.051689069297377
Energy: 1.4399475383291278
Energy: 1.0516890692979393
Energy: 1.4399475383285654
Energy: 1.0302584173124771
Energy: 1.0439571929598996
Energy: 1.030258417311352
Energy: 1.0439571929587748
Energy: 1.0302584173119147
Energy: 1.0439571929587748
Energy: 1.0228077521313905
Energy: 1.0699100679914724
Energy: 1.0228077521313905
Energy: 1.0699100679920348
Energy: 1.0228077521313905
Energy: 1.0699100679920348
Energy: 1.1313862572083024
Energy: 1.5633964024863134
Energy: 1.1313862572088649
Energy: 1.563396402485751
Energy: 1.1313862572083024
Energy: 1.5633964024863134
Energy: 1.1344315895345007
Energy: 1.5582717551296932
Energy: 1.1344315895350634
Energy: 1.5582717551302556
Energy: 1.1344315895350634
Energy: 1.5582717551302556
Energy: 1.0329141117980918
Energy: 1.2162097586011096
Energy: 1.0329141117980918
Energy: 1.2162097586016722
Energy: 1.0329141117986542
Energy: 1.2162097586016722
Energy: 1.021370250815987
Energy: 1.0659617721018184
Energy: 1.0213702508154243
Energy: 1.0659617721018184
Energy: 1.021370250815987
Energy: 1.065961772101256
Energy: 0.9795593141157215
Energy: 1.4509160449080327
Energy: 0.979559314116284
Energy: 1.4509160449069076
Energy: 0.979559314116284
Energy: 1.4509160449080327
Energy: 1.2878619000216194
Energy: 1.2759089437665156
Energy: 1.2878619000210567
Energy: 1.275908943765953
Energy: 1.2878619000221818
Energy: 1.2759089437665156
Energy: 1.0197464408871078
Energy: 1.2137282284684705
Energy: 1.0197464408871078
Energy: 1.2137282284667827
Energy: 1.0197464408871078
Energy: 1.2137282284673454
Energy: 1.0432836323860435
Energy: 1.066218799677774
Energy: 1.0432836323866062
Energy: 1.066218799677774
Energy: 1.0432836323860435
Energy: 1.066218799677774
Energy: 1.371311985554373
Energy: 1.8446870172855057
Energy: 1.3713119855554983
Energy: 1.8446870172855057
Energy: 1.371311985554373
Energy: 1.8446870172855057
Energy: 1.327862310330981
Energy: 1.3466721362827938
Energy: 1.3278623103298561
Energy: 1.3466721362827938
Energy: 1.327862310330981
Energy: 1.3466721362827938
Energy: 1.1311776428355602
Energy: 1.3874260705433545
Energy: 1.1311776428361229
Energy: 1.3874260705433545
Energy: 1.1311776428355602
Energy: 1.387426070542792
Energy: 1.023679262813001
Energy: 1.358058757076938
Energy: 1.023679262813001
Energy: 1.358058757076938
Energy: 1.0236792628124385
Energy: 1.3580587570775005
Energy: 1.6080761478641876
Energy: 1.675152601674449
Energy: 1.6080761478647503
Energy: 1.6751526016766989
Energy: 1.6080761478641876
Energy: 1.675152601674449
Energy: 1.2212408875928875
Energy: 1.040618717866183
Energy: 1.2212408875945753
Energy: 1.0406187178656205
Energy: 1.2212408875928875
Energy: 1.040618717866183
Energy: 1.0196271475654628
Energy: 1.3807697218900756
Energy: 1.0196271475654628
Energy: 1.3807697218900756
Energy: 1.0196271475660255
Energy: 1.3807697218900756
Energy: 0.9797304539897309
Energy: 1.424784535492508
Energy: 0.9797304539891682
Energy: 1.424784535492508
Energy: 0.9797304539897309
Energy: 1.424784535492508
Energy: 1.0530690949497943
Energy: 1.0513222605199886
Energy: 1.053069094948669
Energy: 1.0513222605199886
Energy: 1.0530690949481065
Energy: 1.0513222605199886
Energy: 1.021347306950988
Energy: 1.0411039904800496
Energy: 1.021347306952113
Energy: 1.0411039904800496
Energy: 1.021347306950988
Energy: 1.0411039904806125
Energy: 1.0226015586979678
Energy: 1.3530239348413633
Energy: 1.0226015586985302
Energy: 1.3530239348408009
Energy: 1.0226015586979678
Energy: 1.3530239348413633
Energy: 1.1315320091254155
Energy: 1.3852775864036695
Energy: 1.131532009125978
Energy: 1.3852775864031068
Energy: 1.1315320091242904
Energy: 1.3852775864031068
Energy: 1.528969145295071
Energy: 0.9785584406397294
Energy: 1.5289691452945084
Energy: 0.9785584406391667
Energy: 1.528969145295071
Energy: 0.9785584406391667
Energy: 1.0070370008814036
Energy: 1.2117607522591405
Energy: 1.0070370008819665
Energy: 1.211760752259703
Energy: 1.0070370008819665
Energy: 1.2117607522591405
Energy: 1.0547721474629874
Energy: 1.0651599806936207
Energy: 1.0547721474629874
Energy: 1.0651599806936207
Energy: 1.0547721474629874
Energy: 1.0651599806936207
Energy: 0.9880621776615698
Energy: 1.2409557130362732
Energy: 0.9880621776610072
Energy: 1.2409557130357107
Energy: 0.9880621776615698
Energy: 1.2409557130362732

minimum gb energy = 0.9785584406391667 eV
minimum distance =  2.34105920854122 Angstroms
sigma value = 33


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

Energy: 1.1954068641747482
Energy: 1.1190347480288034
Energy: 1.1954068641743176
Energy: 1.1190347480288034
Energy: 1.1954068641747482
Energy: 1.1190347480291623
Energy: 1.233788427509432
Energy: 1.058873787670755
Energy: 1.2337884275078528
Energy: 1.0588737876711138
Energy: 1.2337884275067044
Energy: 1.0588737876711138
Energy: 1.1513657444366299
Energy: 1.2976506989927252
Energy: 1.1513657444386396
Energy: 1.2976506989907155
Energy: 1.1513657444386396
Energy: 1.2976506989930845
Energy: 1.145487518619403
Energy: 1.0755218190019293
Energy: 1.1454875186190439
Energy: 1.0755218190019293
Energy: 1.1454875186201927
Energy: 1.0755218190019293
Energy: 1.1079017659372823
Energy: 1.0780652468654675
Energy: 1.1079017659361339
Energy: 1.078065246885997
Energy: 1.1079017659372823
Energy: 1.0780652468816185
Energy: 1.4550004402032586
Energy: 1.107334481370944
Energy: 1.4550004402020384
Energy: 1.1073344813705135
Energy: 1.4550004402016796
Energy: 1.1073344813705135
Energy: 1.1265964528110333
Energy: 1.2481968858051253
Energy: 1.1265964528110333
Energy: 1.2481968858062737
Energy: 1.126596452811823
Energy: 1.2481968858067045
Energy: 1.1804080652577569
Energy: 1.2146590541729285
Energy: 1.1804080652577569
Energy: 1.2146590541733588
Energy: 1.180408065257398
Energy: 1.2146590541725693
Energy: 1.1402702613309306
Energy: 1.122115394778595
Energy: 1.1402702613317202
Energy: 1.122115394778595
Energy: 1.1402702613305717
Energy: 1.122115394778595
Energy: 1.5092772452996288
Energy: 1.097775443581304
Energy: 1.5092772452984802
Energy: 1.0977754435817348
Energy: 1.5092772452984802
Energy: 1.097775443581304
Energy: 1.1792055969774986
Energy: 1.180197126480329
Energy: 1.1792055969778574
Energy: 1.18019712648076
Energy: 1.1792055969782882
Energy: 1.18019712648076
Energy: 1.6950166105210116
Energy: 1.0751925542920804
Energy: 1.6950166105210116
Energy: 1.0751925542925111
Energy: 1.695016610520581
Energy: 1.07519255429287
Energy: 1.1283562518698569
Energy: 1.2152526900306657
Energy: 1.1283562518694263
Energy: 1.215252690032245
Energy: 1.1283562518702157
Energy: 1.2152526900314553
Energy: 1.2250430040509013
Energy: 1.1822364268937684
Energy: 1.2250430040505425
Energy: 1.1822364268941992
Energy: 1.2250430040505425
Energy: 1.1822364268937684
Energy: 1.2140461402951217
Energy: 1.1271135157769268
Energy: 1.2140461402959113
Energy: 1.1271135157773577
Energy: 1.2140461402951217
Energy: 1.1271135157769268
Energy: 1.1325740023254496
Energy: 1.4570856458081145
Energy: 1.132574002324301
Energy: 1.4570856458085453
Energy: 1.1325740023235114
Energy: 1.4570856458085453
Energy: 1.682683672415319
Energy: 1.103365151789882
Energy: 1.68268367241417
Energy: 1.1033651517903127
Energy: 1.6826836724137397
Energy: 1.1033651517906717
Energy: 1.0711188127811837
Energy: 1.1491923089369676
Energy: 1.0711188127815428
Energy: 1.1491923089369676
Energy: 1.0711188127819733
Energy: 1.1491923089369676
Energy: 1.5068593157436865
Energy: 1.4609234365762027
Energy: 1.5068593157440453
Energy: 1.4609234365762027
Energy: 1.5068593157444758
Energy: 1.4609234365762027
Energy: 1.677375377975993
Energy: 1.1261071392367767
Energy: 1.6773753779772134
Energy: 1.1261071392375661
Energy: 1.677375377975993
Energy: 1.1261071392375661
Energy: 1.1151633235057887
Energy: 1.195945177709691
Energy: 1.1151633235065785
Energy: 1.195945177709691
Energy: 1.1151633235062193
Energy: 1.1959451777101213
Energy: 1.0559610601843263
Energy: 1.238881278362543
Energy: 1.0559610601843263
Energy: 1.2388812783601741
Energy: 1.0559610601847569
Energy: 1.2388812783609637
Energy: 1.2148491094627656
Energy: 1.3893275674771077
Energy: 1.2148491094623346
Energy: 1.3893275674771077
Energy: 1.2148491094662828
Energy: 1.3893275674763181
Energy: 1.1044611368283739
Energy: 1.436651862031958
Energy: 1.1044611368283739
Energy: 1.4366518620323887
Energy: 1.1044611368291635
Energy: 1.436651862031599
Energy: 1.074920293816187
Energy: 1.1035922238331626
Energy: 1.0749202938698081
Energy: 1.1035922238339522
Energy: 1.0749202938378652
Energy: 1.1035922238331626
Energy: 1.1065794497618415
Energy: 1.4539332192844787
Energy: 1.106579449760693
Energy: 1.4539332192844787
Energy: 1.106579449760693
Energy: 1.4539332192848373
Energy: 1.234659331952238
Energy: 1.1295726267875843
Energy: 1.234659331952597
Energy: 1.1295726267871535
Energy: 1.234659331952597
Energy: 1.1295726267867947
Energy: 1.1904331996056663
Energy: 1.0820758449610783
Energy: 1.1904331996056663
Energy: 1.082075844961509
Energy: 1.1904331996064559
Energy: 1.082075844961509
Energy: 1.1237040342467348
Energy: 1.2150720737359912
Energy: 1.1237040342483142
Energy: 1.2150720737438871
Energy: 1.1237040342478835
Energy: 1.215072073730464
Energy: 1.090843305599003
Energy: 1.5073707723891006
Energy: 1.0908433055997928
Energy: 1.5073707723894596
Energy: 1.0908433055997928
Energy: 1.5073707723891006
Energy: 1.146544137666426
Energy: 1.070546486161195
Energy: 1.1465441376648469
Energy: 1.070546486161195
Energy: 1.1465441376656365
Energy: 1.070546486161195
Energy: 1.1043288188518607
Energy: 1.6971158198887977
Energy: 1.1043288188518607
Energy: 1.6971158198887977
Energy: 1.1043288188522193
Energy: 1.6971158198887977
Energy: 1.6787296841557178
Energy: 1.130733418348875
Energy: 1.6787296841560766
Energy: 1.1307334183496647
Energy: 1.6787296841557178
Energy: 1.1307334183492341
Energy: 1.178670103428562
Energy: 1.2166127545954546
Energy: 1.178670103428562
Energy: 1.2166127545958136
Energy: 1.1786701034281313
Energy: 1.2166127545958136
Energy: 1.1784473149152226
Energy: 1.2166607943636305
Energy: 1.1784473149160122
Energy: 1.2166607943639896
Energy: 1.1784473149160122
Energy: 1.2166607943639896
Energy: 1.6783588553902888
Energy: 1.1307202863221024
Energy: 1.6783588553898583
Energy: 1.1307202863221024
Energy: 1.6783588553894997
Energy: 1.1307202863221024
Energy: 1.1044343739287985
Energy: 1.6970513450430802
Energy: 1.1044343739291576
Energy: 1.6970513450435107
Energy: 1.104434373928009
Energy: 1.6970513450430802
Energy: 1.1469892369750943
Energy: 1.0708110317994342
Energy: 1.1469892369754533
Energy: 1.0708110317994342
Energy: 1.1469892369750943
Energy: 1.070811031799075
Energy: 1.090781990045577
Energy: 1.5071373961710381
Energy: 1.090781990045577
Energy: 1.5071373961726173
Energy: 1.090781990045577
Energy: 1.5071373961718277
Energy: 1.1237738128510495
Energy: 1.2182357267334027
Energy: 1.1237738128514803
Energy: 1.2182357267408679
Energy: 1.1237738128510495
Energy: 1.2182357267720934
Energy: 1.1903889057813164
Energy: 1.0727308348597215
Energy: 1.190388905780168
Energy: 1.0727308348597215
Energy: 1.1903889057809576
Energy: 1.0727308348597215
Energy: 1.2348902942325979
Energy: 1.1294856427559385
Energy: 1.2348902942322388
Energy: 1.1294856427559385
Energy: 1.2348902942322388
Energy: 1.1294856427555793
Energy: 1.1064016274154822
Energy: 1.4540126690819883
Energy: 1.1064016274154822
Energy: 1.4540126690823476
Energy: 1.1064016274150514
Energy: 1.4540126690819883
Energy: 1.0740603718493156
Energy: 1.1035390551305977
Energy: 1.0740603718627388
Energy: 1.1035390551305977
Energy: 1.0740603718615904
Energy: 1.1035390551310287
Energy: 1.104515244603325
Energy: 1.4367515307262353
Energy: 1.104515244603325
Energy: 1.4367515307262353
Energy: 1.1045152446041149
Energy: 1.4367515307262353
Energy: 1.215007150449618
Energy: 1.3893642219974622
Energy: 1.2150071504499769
Energy: 1.389364221997893
Energy: 1.2150071504488285
Energy: 1.389364221997893
Energy: 1.0562496415757814
Energy: 1.2382036018346492
Energy: 1.0562496415761404
Energy: 1.2382036018357976
Energy: 1.05624964157693
Energy: 1.2382036018373768

minimum gb energy = 1.0559610601843263 eV
minimum distance =  2.32258949696514 Angstroms
sigma value = 67


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

Energy: 1.1841330353666515
Energy: 1.117578492437574
Energy: 1.1841330353666515
Energy: 1.1175784924402126
Energy: 1.1841330353666515
Energy: 1.1175784924402126
Energy: 1.104757807665559
Energy: 1.0850240370419635
Energy: 1.104757807665559
Energy: 1.0850240370419635
Energy: 1.104757807665559
Energy: 1.0850240370419635
Energy: 1.6840674951750814
Energy: 1.4351966903043836
Energy: 1.6840674951750814
Energy: 1.4351966903043836
Energy: 1.6840674951750814
Energy: 1.4351966903043836
Energy: 1.1047972896554805
Energy: 1.0850288624928137
Energy: 1.1047972896554805
Energy: 1.0850288624928137
Energy: 1.1047972896554805
Energy: 1.0850288624928137
Energy: 1.1841330353666515
Energy: 1.1175784924402126
Energy: 1.1841330353666515
Energy: 1.1175784924402126
Energy: 1.1841330353666515
Energy: 1.1175784924402126
Energy: 1.104757807665559
Energy: 1.0850240370419635
Energy: 1.104757807665559
Energy: 1.0850240370419635
Energy: 1.10475780766292
Energy: 1.0850240370419635
Energy: 1.0598909510254648
Energy: 1.4351966903043836
Energy: 1.0598909510254648
Energy: 1.4351966903043836
Energy: 1.0598909510254648
Energy: 1.4351966903043836

minimum gb energy = 1.0598909510254648 eV
minimum distance =  2.34060572949242 Angstroms
sigma value = 3


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

Energy: 1.6822047295817328
Energy: 1.2683841778689053
Energy: 1.6822047295817328
Energy: 1.2683841778689053
Energy: 1.6822047295817328
Energy: 1.2683841778689053
Energy: 1.3919359657866157
Energy: 1.23716078360646
Energy: 1.3919359657902066
Energy: 1.23716078360646
Energy: 1.3919359657866157
Energy: 1.23716078360646
Energy: 1.2766752785995275
Energy: 1.6068361149882782
Energy: 1.2766752786031181
Energy: 1.6068361149882782
Energy: 1.2766752786031181
Energy: 1.6068361149846877
Energy: 1.4858652454988526
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Energy: 1.5458607232049106
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Energy: 1.3266211671692691
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Energy: 1.2702716190884955
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Energy: 1.5562025497245096
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Energy: 1.5562025497245096
Energy: 1.3604470948149578
Energy: 1.6361760469808588
Energy: 1.3604470948185483
Energy: 1.6361760469808588
Energy: 1.3604470948149578
Energy: 1.6361760469808588
Energy: 1.2638017948511062
Energy: 1.4004304096141178
Energy: 1.2638017948511062
Energy: 1.4004304096141178
Energy: 1.2638017948546967
Energy: 1.4004304096141178
Energy: 1.7119289613650674
Energy: 1.191207678523024
Energy: 1.7119289613650674
Energy: 1.191207678523024
Energy: 1.7119289613650674
Energy: 1.191207678523024
Energy: 1.2443604921340141
Energy: 1.668153525709903
Energy: 1.2443604921340141
Energy: 1.668153525709903
Energy: 1.2443604921340141
Energy: 1.668153525709903
Energy: 1.5055027873563245
Energy: 1.2356596122158456
Energy: 1.5055027873563245
Energy: 1.2356596122194363
Energy: 1.5055027873563245
Energy: 1.2356596122194363
Energy: 1.625876702439469
Energy: 1.318609366806162
Energy: 1.6258767024358782
Energy: 1.318609366806162
Energy: 1.625876702439469
Energy: 1.3186093668025713
Energy: 1.6341278686755687
Energy: 1.2654951557734258
Energy: 1.6341278686755687
Energy: 1.2654951557734258
Energy: 1.6341278686755687
Energy: 1.2654951557734258
Energy: 1.3284059380255446
Energy: 1.3956396790824293
Energy: 1.3284059380219542
Energy: 1.3956396790824293
Energy: 1.3284059380219542
Energy: 1.3956396790824293
Energy: 1.3218837652414968
Energy: 1.2443144284128362
Energy: 1.3218837652379063
Energy: 1.2443144284128362
Energy: 1.3218837652414968
Energy: 1.2443144284128362
Energy: 1.2638271725892416
Energy: 1.4297826300646492
Energy: 1.2638271725856507
Energy: 1.4297826300646492
Energy: 1.2638271725892416
Energy: 1.4297826300646492
Energy: 1.4717037844833802
Energy: 1.401633600956255
Energy: 1.4717037844833802
Energy: 1.4016336009526644
Energy: 1.4717037844833802
Energy: 1.401633600956255
Energy: 1.3611825808878661
Energy: 1.4632009983951213
Energy: 1.3611825808878661
Energy: 1.4632009983951213
Energy: 1.3611825808878661
Energy: 1.4632009983951213

minimum gb energy = 1.1833394010550335 eV
minimum distance =  2.27582815529738 Angstroms
sigma value = 81


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

Energy: 1.3884922620740432
Energy: 1.3285754859553498
Energy: 1.3212002572765285
Energy: 1.3285754859533787
Energy: 1.3884922620720719
Energy: 1.3285754859533787
Energy: 1.260759750956315
Energy: 1.427551758840773
Energy: 1.2607597509582864
Energy: 1.4275517588417583
Energy: 1.2607597509558224
Energy: 1.4275517588422513
Energy: 1.6115075880727716
Energy: 1.5552498481241648
Energy: 1.5202432805038333
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Energy: 1.6115075880708003
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Energy: 1.2738082893365774
Energy: 1.455271057490886
Energy: 1.2738082893360847
Energy: 1.455271057488915
Energy: 1.2738082893360847
Energy: 1.455271057488915
Energy: 1.3179430301480528
Energy: 1.19914501693652
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Energy: 1.1991450169375055
Energy: 1.3179430301490385
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Energy: 1.243754689714986
Energy: 1.192460090894882
Energy: 1.243754689714493
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Energy: 1.2437546897154788
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Energy: 1.3194493927844861
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Energy: 1.3194493927869502
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Energy: 1.3194493927854718
Energy: 1.196159351372895
Energy: 1.3306122117272632
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Energy: 1.45367570629985
Energy: 1.4695690211730985
Energy: 1.4536757063013284
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Energy: 1.4536757063032995
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Energy: 1.196689416075191
Energy: 1.3210613191481833
Energy: 1.1966894160766695
Energy: 1.3210613191486762
Energy: 1.1966894160801191
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Energy: 1.2584726559567019
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Energy: 1.1918433533866322
Energy: 1.2354098949743992
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Energy: 1.1919713099947589
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Energy: 1.333901982519939
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Energy: 1.3339019825164893
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Energy: 1.5248095793959104
Energy: 1.402634005910483
Energy: 1.5248095794003458
Energy: 1.4026340059119613
Energy: 1.5248095793998528
Energy: 1.1945764764935207
Energy: 1.6157613944542526
Energy: 1.194576476495985
Energy: 1.6157613944542526
Energy: 1.1945764764940134
Energy: 1.6157613944542526
Energy: 1.2316888948321645
Energy: 1.273987324063446
Energy: 1.2316888948311788
Energy: 1.2739873240644317
Energy: 1.2316888948301932
Energy: 1.2739873240644317
Energy: 1.3356110135050099
Energy: 1.1921129003238142
Energy: 1.3356110135055026
Energy: 1.1921129003233213
Energy: 1.3356110135040242
Energy: 1.1921129003228286
Energy: 1.3186408949767192
Energy: 1.2609151792201043
Energy: 1.3186150921302802
Energy: 1.2609151792201043
Energy: 1.3186408949777049
Energy: 1.2609151792201043
Energy: 1.555980297881433
Energy: 1.214353887812227
Energy: 1.555980297881926
Energy: 1.2143538878137057
Energy: 1.555980297881926
Energy: 1.2143538878132127
Energy: 1.4554651835135037
Energy: 1.597213176377113
Energy: 1.4554651835125183
Energy: 1.5972131763736632
Energy: 1.4554651835144894
Energy: 1.597213176374156
Energy: 1.1950555789280772
Energy: 1.3324897731455658
Energy: 1.1950555789280772
Energy: 1.3324897731435945
Energy: 1.1950555789261061
Energy: 1.3324897731440872
Energy: 1.1922655452636468
Energy: 1.2443835525227962
Energy: 1.1922655452641395
Energy: 1.2443835525218105
Energy: 1.1922655452631539
Energy: 1.2443835525223035
Energy: 1.1948417958516035
Energy: 1.169870084734649
Energy: 1.1948417958496325
Energy: 1.1698700847307069
Energy: 1.1948417958486468
Energy: 1.1698700847307069
Energy: 1.4304443638219602
Energy: 1.7820710876105263
Energy: 1.4304378122744215
Energy: 1.7820710876100339
Energy: 1.4304443638204818
Energy: 1.7820710876100339
Energy: 1.4663489263372143
Energy: 1.453745194743204
Energy: 1.4663489263367213
Energy: 1.4537451947417255
Energy: 1.4663489263372143
Energy: 1.4537451947422184
Energy: 1.318385584470868
Energy: 1.1955703805072586
Energy: 1.3183855844703751
Energy: 1.1955703805062732
Energy: 1.3183855844703751
Energy: 1.1955703805077516
Energy: 1.2360961800869619
Energy: 1.1924464393441048
Energy: 1.2360961800854833
Energy: 1.192446439346076
Energy: 1.236096180084005
Energy: 1.192446439346076

minimum gb energy = 1.1698700847307069 eV
minimum distance =  2.37075453421745 Angstroms
sigma value = 43


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

Energy: 1.5389556895045178
Energy: 1.2915924495190636
Energy: 1.5389556895045178
Energy: 1.2915924495190636
Energy: 1.5389556895045178
Energy: 1.2915924495190636
Energy: 1.4269052106799944
Energy: 1.2249759335039334
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Energy: 1.4269052106799944
Energy: 1.2249759335045385
Energy: 1.3717358917291311
Energy: 1.5912950827996497
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Energy: 1.591295082800255
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Energy: 1.2765369689035242
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Energy: 1.3976060424209087
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Energy: 1.3371026880619898
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Energy: 1.3371026884201809
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Energy: 1.5338557751024504
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Energy: 1.3788746292337546
Energy: 1.3205454213730068
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Energy: 1.3205454213730068
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Energy: 1.3205454213724015
Energy: 1.4726240308982321
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Energy: 1.4726240308982321
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Energy: 1.4726240308982321
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Energy: 1.3886890812009045
Energy: 1.2261929815231711
Energy: 1.3886890812021153
Energy: 1.2261929815237764
Energy: 1.3886890812009045
Energy: 1.2261929815231711
Energy: 1.5037891183853191
Energy: 1.2962013367948513
Energy: 1.5037891183853191
Energy: 1.2962013367954568
Energy: 1.5037891183853191
Energy: 1.2962013367948513
Energy: 1.4571090871430934
Energy: 1.4098121647315576
Energy: 1.4571090871430934
Energy: 1.4098121647315576
Energy: 1.4571090871430934
Energy: 1.4098121647315576
Energy: 1.388596560170797
Energy: 1.4244638151780398
Energy: 1.388596560170797
Energy: 1.4244638151774343
Energy: 1.388596560170797
Energy: 1.4244638151774343
Energy: 1.2965173328736692
Energy: 1.4212590335796624
Energy: 1.2965173328736692
Energy: 1.4212590335796624
Energy: 1.296517332873064
Energy: 1.4212590335796624
Energy: 1.4637023107918852
Energy: 1.3522425323622878
Energy: 1.4637023107912799
Energy: 1.3522425323622878
Energy: 1.4637023107912799
Energy: 1.3522425323622878
Energy: 1.2032599353806674
Energy: 1.4517371475030707
Energy: 1.2032599353812725
Energy: 1.451737147503676
Energy: 1.2032599353812725
Energy: 1.451737147503676
Energy: 1.379741527866063
Energy: 1.4865674124141373
Energy: 1.3797415278666683
Energy: 1.4865674124141373
Energy: 1.379741527866063
Energy: 1.4865674124141373
Energy: 1.2694029658564976
Energy: 1.2720757052084355
Energy: 1.2694029658564976
Energy: 1.27207570520783
Energy: 1.2694029658564976
Energy: 1.27207570520783
Energy: 1.544168752298132
Energy: 1.3688605855877847
Energy: 1.544168752298132
Energy: 1.3688605855871794
Energy: 1.5441687522975265
Energy: 1.3688605855871794
Energy: 1.3257514679784699
Energy: 1.430291688766652
Energy: 1.3257514679784699
Energy: 1.430291688766652
Energy: 1.3257514679778644
Energy: 1.430291688766652
Energy: 1.4352467600142995
Energy: 1.3204761084787682
Energy: 1.4352467600142995
Energy: 1.3204761084787682
Energy: 1.4352467600142995
Energy: 1.3204761084793735
Energy: 1.2693299960374513
Energy: 1.372947882065428
Energy: 1.2693299960374513
Energy: 1.372947882065428
Energy: 1.2693299960374513
Energy: 1.372947882065428
Energy: 1.3579077174426937
Energy: 1.3897733081428056
Energy: 1.3579077174420882
Energy: 1.3897733081428056
Energy: 1.3579077174420882
Energy: 1.3897733081428056
Energy: 1.400375277701307
Energy: 1.312739788199942
Energy: 1.4003752777007017
Energy: 1.3127397881993366
Energy: 1.4003752777007017
Energy: 1.3127397881993366

minimum gb energy = 1.2028668082876377 eV
minimum distance =  2.31637770125986 Angstroms
sigma value = 57


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

Energy: 1.4624666171567904
Energy: 1.2920538251576141
Energy: 1.3787379748985067
Energy: 1.2920538251568305
Energy: 1.4624666171567904
Energy: 1.2920538251568305
Energy: 1.4067445776423848
Energy: 1.23598650266063
Energy: 1.4067445776423848
Energy: 1.2359865026614139
Energy: 1.406744577641601
Energy: 1.2359865026614139
Energy: 1.4939767428901145
Energy: 1.4567401371274347
Energy: 1.4353222758008894
Energy: 1.4567401371274347
Energy: 1.4939767428901145
Energy: 1.4567401371282185
Energy: 1.6790175525118904
Energy: 1.408202962824992
Energy: 1.6790175525126743
Energy: 1.4082029628257755
Energy: 1.6790175525111068
Energy: 1.408202962824992
Energy: 1.7046424343178015
Energy: 1.3263621195011046
Energy: 1.704642434318585
Energy: 1.3263621195011046
Energy: 1.704642434318585
Energy: 1.3263621195011046
Energy: 1.4846843949131343
Energy: 1.3952000956448114
Energy: 1.4846843949139181
Energy: 1.302838449871939
Energy: 1.4846843949139181
Energy: 1.395200095645595
Energy: 1.450451487159053
Energy: 1.4946500835155083
Energy: 1.450451487159053
Energy: 1.4946500835139405
Energy: 1.450451487159053
Energy: 1.4946500835139405
Energy: 1.3797224220508104
Energy: 1.2932499074486126
Energy: 1.3797224220508104
Energy: 1.2932499074470452
Energy: 1.3797224220500266
Energy: 1.2932499074462616
Energy: 1.4569728461939746
Energy: 1.2387200528681919
Energy: 1.4569728461939746
Energy: 1.2387200528666242
Energy: 1.4569728461939746
Energy: 1.2387200528666242
Energy: 1.2280810473167858
Energy: 1.300753491839004
Energy: 1.2280823574320372
Energy: 1.300753491839004
Energy: 1.2280810473160022
Energy: 1.300753491839788
Energy: 1.3549487370958728
Energy: 1.4095125793458814
Energy: 1.3549487370943052
Energy: 1.4095125793443137
Energy: 1.3549487370943052
Energy: 1.40951257934353
Energy: 1.5902552708677802
Energy: 1.5157517988298332
Energy: 1.5902552708662128
Energy: 1.5157517988290494
Energy: 1.5902552708654287
Energy: 1.5157517988290494
Energy: 1.4077775825253582
Energy: 1.238657348017734
Energy: 1.4077775825261418
Energy: 1.2386573480169503
Energy: 1.4077775825253582
Energy: 1.2386573480169503
Energy: 1.4475689429369871
Energy: 1.2446737324282293
Energy: 1.4598343331997956
Energy: 1.2446737324282293
Energy: 1.447568942937771
Energy: 1.2446737324282293
Energy: 1.4496525506119207
Energy: 1.400838122826091
Energy: 1.3429077696461458
Energy: 1.4008381228253075
Energy: 1.4496525506103533
Energy: 1.4008381228253075
Energy: 1.4277401678548056
Energy: 1.3485512325096194
Energy: 1.4277401678548056
Energy: 1.3485512325088358
Energy: 1.427740167854022
Energy: 1.3485512325088358
Energy: 1.2276284778860742
Energy: 1.3020113553706523
Energy: 1.2276880722918893
Energy: 1.302011355371436
Energy: 1.2276284778860742
Energy: 1.3020113553706523
Energy: 1.352032233931935
Energy: 1.4271610234355625
Energy: 1.352032233931935
Energy: 1.2594016781199349
Energy: 1.3520322339303674
Energy: 1.4271610234363463
Energy: 1.2275871971489454
Energy: 1.302022018458095
Energy: 1.2275871971497294
Energy: 1.302022018458095
Energy: 1.2275871971497294
Energy: 1.302022018458095
Energy: 1.4938392682064967
Energy: 1.3484387856386948
Energy: 1.4938392682057131
Energy: 1.348438785640227
Energy: 1.4938392682049295
Energy: 1.348438785640227
Energy: 1.34249115019926
Energy: 1.2420088529175406
Energy: 1.3424911501984762
Energy: 1.2420088529175406
Energy: 1.3424911501976926
Energy: 1.2420088529183242
Energy: 1.4598495750334528
Energy: 1.3586073929282225
Energy: 1.4598495750342366
Energy: 1.3586073929274392
Energy: 1.4598495750318852
Energy: 1.3586073929274392
Energy: 1.4918512644624726
Energy: 1.2353869671270028
Energy: 1.4921797965092392
Energy: 1.2353869671277864
Energy: 1.4918512644640403
Energy: 1.2353869671277864
Energy: 1.570396045489115
Energy: 1.4656174749772009
Energy: 1.5704040221473363
Energy: 1.465617474976417
Energy: 1.5703960454898986
Energy: 1.465617474976417

minimum gb energy = 1.2275871971489454 eV
minimum distance =  2.2713111360556 Angstroms
sigma value = 17


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

Energy: 1.647077163578896
Energy: 1.1809154939616835
Energy: 1.647077163578896
Energy: 1.1809154939616835
Energy: 1.647077163578896
Energy: 1.1809154939616835
Energy: 1.3207343132585396
Energy: 1.2746004794957568
Energy: 1.3207343132585396
Energy: 1.2746004794946484
Energy: 1.3207343132585396
Energy: 1.2746004794946484
Energy: 1.277062582386432
Energy: 1.3213410425546055
Energy: 1.277062582386432
Energy: 1.3213410425534973
Energy: 1.277062582386432
Energy: 1.3213410425534973
Energy: 1.3162280390386252
Energy: 1.2839251214240774
Energy: 1.3162280390397332
Energy: 1.2839251214240774
Energy: 1.3162280390386252
Energy: 1.2839251214240774
Energy: 1.2984502090200738
Energy: 1.471585167203261
Energy: 1.2984502090211822
Energy: 1.471585167203261
Energy: 1.2984502090200738
Energy: 1.471585167203261
Energy: 1.2082257343624259
Energy: 1.2825713305018553
Energy: 1.2082257343613174
Energy: 1.2825713305018553
Energy: 1.2082257343624259
Energy: 1.2825713305018553
Energy: 1.2774076542649953
Energy: 1.3301174302089458
Energy: 1.2774076542638868
Energy: 1.3301174302089458
Energy: 1.2774076542649953
Energy: 1.3301174302089458
Energy: 1.3165203197688937
Energy: 1.3047022810121847
Energy: 1.3165203197688937
Energy: 1.3047022810121847
Energy: 1.3165203197688937
Energy: 1.304702281013293
Energy: 1.244783583143976
Energy: 1.1254667110353755
Energy: 1.244783583143976
Energy: 1.1254667110364842
Energy: 1.244783583143976
Energy: 1.1254667110364842
Energy: 1.1824376118142177
Energy: 1.2583809416640408
Energy: 1.1824376118186515
Energy: 1.2583809416629324
Energy: 1.1824376118186515
Energy: 1.2583809416629324
Energy: 1.2017380762586742
Energy: 1.2934274528486718
Energy: 1.2017380762542909
Energy: 1.2934274528486718
Energy: 1.2017380762565075
Energy: 1.2934274528486718
Energy: 1.2623187820253916
Energy: 1.2556614494721354
Energy: 1.2623187820253916
Energy: 1.2556614494732439
Energy: 1.2623187820242834
Energy: 1.2556614494699185
Energy: 1.0693500099941633
Energy: 1.2824390962065118
Energy: 1.0693500099952717
Energy: 1.2824390962120538
Energy: 1.0693500099952717
Energy: 1.28243909620762
Energy: 1.2018878956144974
Energy: 1.2827620131787614
Energy: 1.2018878956156058
Energy: 1.282762013177653
Energy: 1.2018878956156058
Energy: 1.2827620131787614
Energy: 1.2076502501191873
Energy: 1.452677543860626
Energy: 1.2076502501191873
Energy: 1.452677543860626
Energy: 1.2076502501191873
Energy: 1.452677543860626
Energy: 1.2069857282742824
Energy: 1.494283068295525
Energy: 1.2069857282731737
Energy: 1.494283068295525
Energy: 1.2069857282731737
Energy: 1.4942830682944164
Energy: 1.1996547987562127
Energy: 1.2826579394763709
Energy: 1.1996547987551043
Energy: 1.2826579394763709
Energy: 1.1996547987551043
Energy: 1.2826579394763709

minimum gb energy = 1.0693500099941633 eV
minimum distance =  2.31536478243339 Angstroms
sigma value = 17


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

Energy: 1.195938738708588
Energy: 1.0689957823893448
Energy: 1.1959387387090161
Energy: 1.0689957823893448
Energy: 1.1959387387090161
Energy: 1.0689957823893448
Energy: 1.2785057194909641
Energy: 1.1932721338420595
Energy: 1.2785057194913922
Energy: 1.0868317051521996
Energy: 1.2785057194913922
Energy: 1.1932721338561842
Energy: 1.1862963863918012
Energy: 1.212988770687759
Energy: 1.186296386392229
Energy: 1.2129887706886149
Energy: 1.1862963863918012
Energy: 1.2129887706881868
Energy: 1.113814278448799
Energy: 1.183199240464893
Energy: 1.113814278447515
Energy: 1.183199240464465
Energy: 1.1138142784483709
Energy: 1.183199240464465
Energy: 1.4889053030527568
Energy: 1.1969566795665403
Energy: 1.4889053030531847
Energy: 1.1969566795665403
Energy: 1.4889053030527568
Energy: 1.1969566795669684
Energy: 1.1431729776809594
Energy: 1.1205705180668826
Energy: 1.1431729776809594
Energy: 1.0831213755895794
Energy: 1.1431729776805313
Energy: 1.1205705180668826
Energy: 1.0804872832904053
Energy: 1.0855037351808952
Energy: 1.0804872832916894
Energy: 1.0855037351817514
Energy: 1.0804872832916894
Energy: 1.0855037351800392
Energy: 1.379199379153522
Energy: 1.3477707197415982
Energy: 1.379199379153522
Energy: 1.3477707197415982
Energy: 1.379199379153522
Energy: 1.3477707197415982
Energy: 1.1217182286391905
Energy: 1.135610708489167
Energy: 1.1217182286391905
Energy: 1.135610708489167
Energy: 1.1217182286391905
Energy: 1.1356107084887388
Energy: 1.0821862147231058
Energy: 0.9832162937114616
Energy: 1.0821862147226777
Energy: 0.9832162937114616
Energy: 1.0821862147209658
Energy: 0.9832162937114616
Energy: 1.0008895681751875
Energy: 1.3188019232666992
Energy: 1.0008895681743313
Energy: 1.3188019232666992
Energy: 1.0008895681760435
Energy: 1.318801923266271
Energy: 1.18097056399967
Energy: 1.2662947964407019
Energy: 1.180970564000098
Energy: 1.2662947964407019
Energy: 1.1809705640005261
Energy: 1.2662947964402738
Energy: 1.2675486923576587
Energy: 1.240097045730731
Energy: 1.2675486923572306
Energy: 1.240097045730731
Energy: 1.2675486923568027
Energy: 1.240097045731159
Energy: 1.266403548789906
Energy: 1.1967434154556464
Energy: 1.266403548790334
Energy: 1.1967434154560743
Energy: 1.266403548789906
Energy: 1.1967434154556464
Energy: 1.1652694391086345
Energy: 1.1740117111307053
Energy: 1.1652694391086345
Energy: 1.174011711129849
Energy: 1.1652694391094904
Energy: 1.1740117111302772
Energy: 1.208754176327913
Energy: 1.252725966390512
Energy: 1.208754176328769
Energy: 1.2527259663900838
Energy: 1.208754176328769
Energy: 1.252725966390512
Energy: 1.1008895762126916
Energy: 1.1300668591762284
Energy: 1.1008895762131194
Energy: 1.1300668591758
Energy: 1.1008895762122637
Energy: 1.1300668591762284
Energy: 1.1442989118437998
Energy: 1.3716307667962133
Energy: 1.144298911845084
Energy: 1.3716307667962133
Energy: 1.1442989118442282
Energy: 1.3716307667962133
Energy: 1.1067310810871094
Energy: 1.490822078039349
Energy: 1.1067310810862534
Energy: 1.4908220780389212
Energy: 1.1067310810901057
Energy: 1.4908220780389212
Energy: 1.1000547669175538
Energy: 0.9845568384238317
Energy: 1.1000547669179819
Energy: 0.9845568384238317
Energy: 1.10005476691841
Energy: 0.9845568384234035
Energy: 1.1068014839509595
Energy: 1.4907474128723133
Energy: 1.1068014839513876
Energy: 1.4907474128723133
Energy: 1.1068014839496754
Energy: 1.4907474128723133
Energy: 1.1439985291079473
Energy: 1.3716481840846355
Energy: 1.1439985291083754
Energy: 1.3716481840850632
Energy: 1.143998529106663
Energy: 1.3716481840850632
Energy: 1.101074025818574
Energy: 1.1300531924547592
Energy: 1.101074025819002
Energy: 1.1300531924547592
Energy: 1.101074025819002
Energy: 1.1300531924547592
Energy: 1.2087042891383895
Energy: 1.2058145679831835
Energy: 1.2087042891383895
Energy: 1.2058145679818995
Energy: 1.2087042891388178
Energy: 1.2058145679818995
Energy: 1.1652506930161806
Energy: 1.1740086891495722
Energy: 1.1652506930153246
Energy: 1.1740086891482882
Energy: 1.1652506930161806
Energy: 1.174008689148716
Energy: 1.2664377074386588
Energy: 1.2020458925552975
Energy: 1.2664377074382307
Energy: 1.2020458925552975
Energy: 1.2664377074390871
Energy: 1.2020458925548694
Energy: 1.2673212864073926
Energy: 1.240263291859179
Energy: 1.2673212864065366
Energy: 1.2402632918596068
Energy: 1.2673212864078207
Energy: 1.2402632918596068
Energy: 1.1903048712502216
Energy: 1.2664748316907348
Energy: 1.1903048712489377
Energy: 1.2664748316920191
Energy: 1.1903048712497937
Energy: 1.266474831692447
Energy: 1.0011744543142351
Energy: 1.318964864493325
Energy: 1.0011744543142351
Energy: 1.318964864493325
Energy: 1.0011744543138072
Energy: 1.318964864493325
Energy: 1.0817858384413614
Energy: 0.9836075271166468
Energy: 1.0817858384426458
Energy: 0.9836075271157907
Energy: 1.0817858384426458
Energy: 0.9836075271157907
Energy: 1.1215905847850354
Energy: 1.1353291508718968
Energy: 1.1215905847841794
Energy: 1.135329150871469
Energy: 1.1215905847854633
Energy: 1.135329150871469
Energy: 1.3793031248801708
Energy: 1.347669858481509
Energy: 1.3793031248801708
Energy: 1.3476698584810811
Energy: 1.3793031248801708
Energy: 1.3476698584810811
Energy: 1.0805107072797784
Energy: 1.0856182671033214
Energy: 1.0805107072780662
Energy: 1.0856182671037495
Energy: 1.0805107072780662
Energy: 1.0856182671028933
Energy: 1.1431993407815153
Energy: 1.0478040201303631
Energy: 1.1431993407815153
Energy: 1.0478040201303631
Energy: 1.1431993407810872
Energy: 1.0478040201303631
Energy: 1.4891285262329907
Energy: 1.1966889504970488
Energy: 1.489128526233419
Energy: 1.1966889504966205
Energy: 1.4891285262329907
Energy: 1.1966889504966205
Energy: 1.1218619131062022
Energy: 1.1603926325754463
Energy: 1.1218619131066303
Energy: 1.160392632575874
Energy: 1.121861913103634
Energy: 1.160392632575874
Energy: 1.1864369802842134
Energy: 1.2131496552471706
Energy: 1.1864369802833572
Energy: 1.2131496552463144
Energy: 1.1864369802846413
Energy: 1.2131496552480265
Energy: 1.2780302156757193
Energy: 1.0479513361863027
Energy: 1.2780302156748633
Energy: 1.0479513361854467
Energy: 1.2780302156757193
Energy: 1.0479513361863027
Energy: 1.1959387387081601
Energy: 1.0689957823872045
Energy: 1.1959387387081601
Energy: 1.0689957823872045
Energy: 1.195938738708588
Energy: 1.0689957823872045
Energy: 1.27850571948968
Energy: 1.2501547745127437
Energy: 1.2785057194892522
Energy: 1.2501547745127437
Energy: 1.2785057194888239
Energy: 1.2501547745123156
Energy: 1.186296386392229
Energy: 1.2129887706873308
Energy: 1.1862963863926572
Energy: 1.2129887706860465
Energy: 1.1862963863926572
Energy: 1.2129887706881868
Energy: 1.113814278445803
Energy: 1.1299322603743114
Energy: 1.113814278450939
Energy: 1.1299322603734554
Energy: 1.113814278447515
Energy: 1.1299322603743114
Energy: 1.4889053030548969
Energy: 1.1969566795673965
Energy: 1.4889053030544688
Energy: 1.1969566795673965
Energy: 1.4889053030544688
Energy: 1.1969566795673965

minimum gb energy = 0.9832162937114616 eV
minimum distance =  2.28010567582072 Angstroms
sigma value = 57


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

Energy: 1.097279989919798
Energy: 0.9886310622838449
Energy: 1.0972799899211285
Energy: 0.9886310622838449
Energy: 1.0972799899218255
Energy: 0.9886310622838449
Energy: 1.1346006416461634
Energy: 1.1311432143834856
Energy: 1.1346006416475571
Energy: 1.1311432143834856
Energy: 1.1346006416475571
Energy: 1.1311432143848796
Energy: 1.1443350671667247
Energy: 1.1310233864316301
Energy: 1.1443350671674215
Energy: 1.1310233864316301
Energy: 1.1443350671674215
Energy: 1.131023386432327
Energy: 1.142990243396887
Energy: 1.0743093308614724
Energy: 1.14299024339619
Energy: 1.0743093308614724
Energy: 1.142990243396887
Energy: 1.0743093308621694
Energy: 1.3291272563829744
Energy: 1.1011636665362985
Energy: 1.3291272563829744
Energy: 1.1011636665356015
Energy: 1.3291272563829744
Energy: 1.1011636665356015
Energy: 1.0718399905944924
Energy: 0.9741727361035517
Energy: 1.0718399905951892
Energy: 0.9741727361042486
Energy: 1.0718399905944924
Energy: 0.9741727361035517
Energy: 1.2720645140597873
Energy: 1.0429909612928858
Energy: 1.2720645140583933
Energy: 1.0429909612921886
Energy: 1.27206451405909
Energy: 1.0429909612928858
Energy: 1.2572424520244077
Energy: 1.260894973914955
Energy: 1.2572424520237107
Energy: 1.260894973914955
Energy: 1.2572424520230139
Energy: 1.260894973914258
Energy: 0.9911404394633372
Energy: 0.9764210349212732
Energy: 0.991140439464034
Energy: 0.9764210349219702
Energy: 0.991140439464034
Energy: 0.9764210349219702
Energy: 1.1223510426525112
Energy: 1.0072434666561403
Energy: 1.1223510426525112
Energy: 1.0072434666540495
Energy: 1.1223510426525112
Energy: 1.0072434666533527
Energy: 1.275049016799103
Energy: 1.273207489628932
Energy: 1.2750490167997999
Energy: 1.273207489628235
Energy: 1.275049016799103
Energy: 1.273207489628235
Energy: 1.029514317884816
Energy: 1.2670956809230933
Energy: 1.029514317884119
Energy: 1.2670956809230933
Energy: 1.029514317884816
Energy: 1.2670956809230933
Energy: 1.1223181208929862
Energy: 1.1377552653302125
Energy: 1.1223181208936832
Energy: 1.1377552653295155
Energy: 1.1223181208929862
Energy: 1.1377552653302125
Energy: 1.2675544215901042
Energy: 1.149396482424718
Energy: 1.2675544215894075
Energy: 1.1493964824254148
Energy: 1.2675544215901042
Energy: 1.149396482424718
Energy: 1.100197819908234
Energy: 1.3476351553706376
Energy: 1.100197819909628
Energy: 1.3476351553706376
Energy: 1.100197819908234
Energy: 1.3476351553706376
Energy: 1.1573321088272717
Energy: 1.1501805430923582
Energy: 1.1573321088272717
Energy: 1.1501805430923582
Energy: 1.1573321088279684
Energy: 1.1501805430923582
Energy: 1.1745432983710513
Energy: 1.1278377434583733
Energy: 1.1745432983689603
Energy: 1.1278377434583733
Energy: 1.1745432983710513
Energy: 1.1278377434583733
Energy: 1.1892138977272795
Energy: 1.185158499367507
Energy: 1.1892138977272795
Energy: 1.185158499367507
Energy: 1.1892138977272795
Energy: 1.185158499367507
Energy: 1.1279324496327487
Energy: 1.1763083478437515
Energy: 1.1279324496327487
Energy: 1.1763083478437515
Energy: 1.1279324496334457
Energy: 1.1763083478437515
Energy: 1.1298020016544166
Energy: 1.0756126019841106
Energy: 1.1298020016537194
Energy: 1.0756126019834136
Energy: 1.1298020016544166
Energy: 1.0756126019841106
Energy: 1.0798161751570305
Energy: 1.2673054118766183
Energy: 1.0798161751577275
Energy: 1.2673054118759213
Energy: 1.0798161751598185
Energy: 1.2673054118759213
Energy: 0.9295634216565504
Energy: 1.3643433677292742
Energy: 0.9295634216551565
Energy: 1.3643433677292742
Energy: 0.9295634216572473
Energy: 1.3643433677292742
Energy: 1.0175396383297495
Energy: 1.0288167352225905
Energy: 1.017539638331143
Energy: 1.0288167352225905
Energy: 1.0175396383297495
Energy: 1.0288167352218935
Energy: 1.0173511833448066
Energy: 1.384199167496772
Energy: 1.0173511833434126
Energy: 1.384199167498166
Energy: 1.0173511833427156
Energy: 1.384199167498166
Energy: 1.2119912615717725
Energy: 1.2746710192210018
Energy: 1.2119912615724695
Energy: 1.2746710192210018
Energy: 1.2119912615717725
Energy: 1.2746710192210018
Energy: 0.9908124197029688
Energy: 1.0281182209820579
Energy: 0.990812419702272
Energy: 1.0281182209820579
Energy: 0.9908124197036658
Energy: 1.0281182209820579
Energy: 0.9280552515283459
Energy: 1.1760208723630832
Energy: 0.9280552515297398
Energy: 1.1760208723637804
Energy: 0.9280552515290427
Energy: 1.1760208723630832

minimum gb energy = 0.9280552515283459 eV
minimum distance =  2.28422808609893 Angstroms
sigma value = 43


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

Energy: 1.2067848325149202
Energy: 0.8943444259839438
Energy: 1.206784832515428
Energy: 0.8943444259839438
Energy: 1.2067848325149202
Energy: 0.8943444259839438
Energy: 0.9809264516038951
Energy: 1.0264224060651275
Energy: 0.9809264516028794
Energy: 1.026422406064112
Energy: 0.9809264516038951
Energy: 1.0264224060646197
Energy: 0.9672192942259499
Energy: 1.026712829132491
Energy: 0.9672192942254418
Energy: 1.026712829132491
Energy: 0.9672192942259499
Energy: 1.026712829132491
Energy: 1.1487801499889916
Energy: 0.9415549475080909
Energy: 1.1487801499879762
Energy: 0.9415549475080909
Energy: 1.1487801499874684
Energy: 0.9415549475080909
Energy: 1.1230958758593221
Energy: 0.9818745111894696
Energy: 1.1230958758593221
Energy: 0.981874511190993
Energy: 1.1230958758588143
Energy: 0.9818745111904853
Energy: 0.9304732340915858
Energy: 0.9792000011585675
Energy: 0.9304732340926013
Energy: 0.9792000011585675
Energy: 0.9304732340926013
Energy: 0.9792000011585675
Energy: 1.1111635205676917
Energy: 0.9087962118178399
Energy: 1.1111635205681996
Energy: 0.9087962118158087
Energy: 1.1111635205681996
Energy: 0.9087962118178399
Energy: 1.1687716510688344
Energy: 1.0755541034186522
Energy: 1.1687716510688344
Energy: 1.0755541034186522
Energy: 1.1687716510683266
Energy: 1.0755541034186522
Energy: 0.8806054346091676
Energy: 0.9684764684254742
Energy: 0.8806054346086599
Energy: 0.9684764684249665
Energy: 0.8806054346086599
Energy: 0.9684764684249665
Energy: 0.9863649144752595
Energy: 0.8674072868057393
Energy: 0.986364914476783
Energy: 0.8674072868052314
Energy: 0.9863649144757675
Energy: 0.8674072868057393
Energy: 1.100520822113161
Energy: 1.0671036127704117
Energy: 1.100520822113161
Energy: 1.0671036127699038
Energy: 1.1005208221126532
Energy: 1.0671036127699038
Energy: 0.8429440847983762
Energy: 0.9672167181415193
Energy: 0.842944084798884
Energy: 0.9672167181410115
Energy: 0.8429440847993919
Energy: 0.9672167181405038
Energy: 0.9863603778521463
Energy: 0.8317386018198473
Energy: 0.9863603778516383
Energy: 0.8317386018198473
Energy: 0.9863603778516383
Energy: 0.8317386018193395
Energy: 1.0714394867501453
Energy: 1.0689377770636752
Energy: 1.0714394867506534
Energy: 1.0689377770641828
Energy: 1.0714394867506534
Energy: 1.0689377770636752
Energy: 0.8633311208488691
Energy: 0.9671116426452042
Energy: 0.86333112084633
Energy: 0.9671116426462198
Energy: 0.8633311208493768
Energy: 0.967111642645712
Energy: 1.0086356947978667
Energy: 0.9202926526798051
Energy: 1.008635694797359
Energy: 0.9202926526787895
Energy: 1.0086356947978667
Energy: 0.9202926526792974
Energy: 1.1075343556464556
Energy: 1.119333401874789
Energy: 1.1075343556459478
Energy: 1.119333401874789
Energy: 1.1075343556459478
Energy: 1.119333401874789
Energy: 0.8937540621508379
Energy: 1.0964516681885006
Energy: 0.8937540621503302
Energy: 1.0964516681895162
Energy: 0.8937540621503302
Energy: 1.096451668187993
Energy: 0.977400409227064
Energy: 0.9656175833647643
Energy: 0.9774004092265562
Energy: 0.9656175833647643
Energy: 0.9774004092265562
Energy: 0.965617583365272
Energy: 1.140092678830619
Energy: 1.110354199856171
Energy: 1.1400926788301111
Energy: 1.110354199856171
Energy: 1.1400926788301111
Energy: 1.110354199856171
Energy: 0.959428313587504
Energy: 1.158888670106374
Energy: 0.9594283135880117
Energy: 1.1588886701073897
Energy: 0.959428313587504
Energy: 1.1588886701084053
Energy: 1.0377219633263386
Energy: 0.9801964289495241
Energy: 1.0377219633253227
Energy: 0.9801964289495241
Energy: 1.0377219633263386
Energy: 0.9801964289495241
Energy: 1.1668909544167518
Energy: 0.9737465488943482
Energy: 1.1668909544167518
Energy: 0.9737465488943482
Energy: 1.1668909544167518
Energy: 0.9737465488943482
Energy: 1.023868999402765
Energy: 1.159563073457666
Energy: 1.023868999402765
Energy: 1.159563073457666
Energy: 1.0238689994017494
Energy: 1.159563073457666
Energy: 0.9812081782974474
Energy: 1.0252796892991343
Energy: 0.981208178295924
Energy: 1.0252796892991343
Energy: 0.9812081782969395
Energy: 1.0252796892991343
Energy: 0.9809071091939474
Energy: 0.942992339074084
Energy: 0.9809071091934395
Energy: 0.942992339074084
Energy: 0.9809071091939474
Energy: 0.942992339074084
Energy: 0.9449612912288117
Energy: 1.1099299767810338
Energy: 0.928473350100491
Energy: 1.1099299767810338
Energy: 0.9284733501009989
Energy: 1.1099299767815418
Energy: 0.9489068131842716
Energy: 0.9512221870629876
Energy: 0.9489068131837639
Energy: 0.9512221870624797
Energy: 0.9489068131837639
Energy: 0.9512221870629876
Energy: 0.8589088249888669
Energy: 0.8844152907108552
Energy: 0.8589088249893747
Energy: 0.8844152907108552
Energy: 0.8589088249888669
Energy: 0.8844152907108552
Energy: 0.8626668312719392
Energy: 1.0820040207102126
Energy: 0.8626668312724473
Energy: 1.0820040207102126
Energy: 0.8626668312719392
Energy: 1.0820040207102126
Energy: 0.9379977195377108
Energy: 1.1674125964407562
Energy: 0.9379977195382185
Energy: 1.1674125964407562
Energy: 0.9379977195382185
Energy: 1.1674125964407562
Energy: 0.959885310011957
Energy: 0.8570801777148918
Energy: 0.959885310011957
Energy: 0.8570801777148918
Energy: 0.959885310011957
Energy: 0.8570801777153995
Energy: 0.8389662786811533
Energy: 1.158389698672863
Energy: 0.8389662786816611
Energy: 1.158389698672355
Energy: 0.8389662786816611
Energy: 1.158389698672863
Energy: 1.078655353785978
Energy: 1.0687816971240287
Energy: 1.0786553537864856
Energy: 1.068781697123521
Energy: 1.07865535378547
Energy: 1.068781697123521
Energy: 0.9588515803249039
Energy: 0.8334212423616684
Energy: 0.9588515803249039
Energy: 0.8334212423586215
Energy: 0.9588515803254116
Energy: 0.8334212423591295
Energy: 0.7755475119767667
Energy: 0.9564108911859208
Energy: 0.7755475119767667
Energy: 0.9564108911859208
Energy: 0.7755475119762589
Energy: 0.9564108911859208

minimum gb energy = 0.7755475119762589 eV
minimum distance =  2.27785645602928 Angstroms
sigma value = 81


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

Energy: 0.345136057442419
Energy: 0.4014134010749629
Energy: 0.08155698843753104
Energy: 0.4014134010749629
Energy: 0.345136057442419
Energy: 0.4014134010749629
Energy: 0.9581536860134126
Energy: 0.08318650385840186
Energy: 0.9581536860134126
Energy: 0.08318650380242917
Energy: 0.9581536860134126
Energy: 0.08318650390500336
Energy: 0.894547218879289
Energy: 0.08219814288699567
Energy: 0.894547218879289
Energy: 0.08219814288699567
Energy: 0.894547218879289
Energy: 0.08219814288699567
Energy: 0.08155698843753104
Energy: 0.4014134010749629
Energy: 0.08155698843753104
Energy: 0.4014134010749629
Energy: 0.08155698843753104
Energy: 0.4014134010749629
Energy: 0.9581536860134126
Energy: 0.08318650306766051
Energy: 0.9581536860134126
Energy: 0.08318650308631807
Energy: 0.9581536860134126
Energy: 0.08318650301173022
Energy: 0.894547218879289
Energy: 0.08219814288512992
Energy: 0.894547218879289
Energy: 0.08219814288512992
Energy: 0.894547218879289
Energy: 0.08219814288699567
Energy: 0.345136057442419
Energy: 0.4014134010749629
Energy: 0.08155698843753104
Energy: 0.4014134010749629
Energy: 0.345136057442419
Energy: 0.4014134010749629
Energy: 0.9581536860134126
Energy: 0.08318650304340568
Energy: 0.9581536860134126
Energy: 0.08318650292030819
Energy: 0.9581536860134126
Energy: 0.08318650296508633
Energy: 0.894547218879289
Energy: 0.08219814288699567
Energy: 0.894547218879289
Energy: 0.08219814288699567
Energy: 0.894547218879289
Energy: 0.08219814288699567
Energy: 0.08155698843753104
Energy: 0.4014134010749629
Energy: 0.08155698843753104
Energy: 0.4014134010749629
Energy: 0.08155698843753104
Energy: 0.4014134010749629

minimum gb energy = 0.08155698843753104 eV
minimum distance =  2.45873634530981 Angstroms
sigma value = 3


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

Energy: 1.066389250472316
Energy: 0.884532800425202
Energy: 1.066389250472316
Energy: 0.884532800425202
Energy: 1.066389250472316
Energy: 0.884532800425202
Energy: 0.8869444723272167
Energy: 1.0229905418155445
Energy: 0.8869444723283335
Energy: 1.0229905418155445
Energy: 0.8869444723272167
Energy: 1.0229905418155445
Energy: 0.9750183943036654
Energy: 0.9952115914358004
Energy: 0.9750183943047821
Energy: 0.9952115914358004
Energy: 0.9750183943036654
Energy: 0.9952115914358004
Energy: 0.9983690473441748
Energy: 0.9360936978693838
Energy: 0.9983690473447331
Energy: 0.9360936978688255
Energy: 0.9983690473447331
Energy: 0.9360936978688255
Energy: 0.7760996036562148
Energy: 0.9859531752789245
Energy: 0.7760996036573313
Energy: 0.985953175278366
Energy: 0.7760996036562148
Energy: 0.985953175278366
Energy: 0.9252651009741409
Energy: 0.9692354528029106
Energy: 0.9252651009741409
Energy: 0.9692354528023521
Energy: 0.9252651009735824
Energy: 0.9692354528029106
Energy: 0.9544804678395102
Energy: 0.9929053750649165
Energy: 0.9544804678389519
Energy: 0.9929053750649165
Energy: 0.9544804678395102
Energy: 0.9929053750649165
Energy: 0.7696857972165216
Energy: 0.9097240784426988
Energy: 0.76968579721708
Energy: 0.909724078443257
Energy: 0.7696857972165216
Energy: 0.9097240784426988
Energy: 0.9535394658969186
Energy: 0.9669340473491146
Energy: 0.953539465897477
Energy: 0.966934047349673
Energy: 0.9535394658969186
Energy: 0.9669340473491146
Energy: 0.9710369360292714
Energy: 0.9446531792482152
Energy: 0.9710369360281549
Energy: 0.9446531792487735
Energy: 0.9710369360287132
Energy: 0.9446531792487735
Energy: 0.8437205747525374
Energy: 0.8779508774085959
Energy: 0.8437205747536541
Energy: 0.8779508774097124
Energy: 0.8437205747525374
Energy: 0.8779508774091541
Energy: 0.9806222205201578
Energy: 0.9765046279697244
Energy: 0.9806222205207161
Energy: 0.9765046279697244
Energy: 0.9806222205207161
Energy: 0.9765046279702827
Energy: 0.9612021452105046
Energy: 0.7728444558885562
Energy: 0.9612021452099463
Energy: 0.7728444558874397
Energy: 0.9612021452110631
Energy: 0.772844455887998
Energy: 0.877760827689151
Energy: 0.9560448674054538
Energy: 0.8777608276885928
Energy: 0.9560448674054538
Energy: 0.8777608276885928
Energy: 0.9560448674054538
Energy: 0.9591470274501105
Energy: 0.9438308830148883
Energy: 0.9591470274495524
Energy: 0.9438308830148883
Energy: 0.9591470274495524
Energy: 0.9438308830154465
Energy: 0.9747400946737997
Energy: 0.7736185769380556
Energy: 0.9747400946737997
Energy: 0.7736185769380556
Energy: 0.9747400946737997
Energy: 0.7736185769369389
Energy: 0.9742330320896117
Energy: 0.9857770899625733
Energy: 0.9742330320901698
Energy: 0.9857770899625733
Energy: 0.9742330320896117
Energy: 0.9857770899625733
Energy: 0.986745826503942
Energy: 0.9165403993370355
Energy: 0.986745826503942
Energy: 0.9165403993370355
Energy: 0.986745826503942
Energy: 0.9165403993370355
Energy: 0.9869638712683927
Energy: 0.8748571001047086
Energy: 0.9869638712683927
Energy: 0.8748571001058254
Energy: 0.9869638712683927
Energy: 0.8748571001047086
Energy: 0.903570528089093
Energy: 1.044062740494582
Energy: 0.9035705280896513
Energy: 1.0440627404940235
Energy: 0.903570528089093
Energy: 1.044062740494582
Energy: 0.9778779762939503
Energy: 0.8943674663661542
Energy: 0.9778779762945088
Energy: 0.8943674663661542
Energy: 0.9778779762939503
Energy: 0.8943674663650376
Energy: 1.0410089226317312
Energy: 0.8895008289986822
Energy: 1.0410089226322898
Energy: 0.889500828999799
Energy: 1.0410089226317312
Energy: 0.889500828999799
Energy: 0.9563340372048822
Energy: 1.041876813416342
Energy: 0.9563340372048822
Energy: 1.041876813416342
Energy: 0.9563340372043239
Energy: 1.0418768134157836
Energy: 1.0442462224866178
Energy: 0.8722590033764562
Energy: 1.044246222487176
Energy: 0.8722590033764562
Energy: 1.0442462224866178
Energy: 0.8722590033770146
Energy: 0.9860119835595181
Energy: 0.9244132316807825
Energy: 0.9860119835595181
Energy: 0.9244132316813408
Energy: 0.9860119835595181
Energy: 0.9244132316813408
Energy: 0.8934819820294779
Energy: 0.966546226663138
Energy: 0.8934819820289198
Energy: 0.966546226663138
Energy: 0.8934819820294779
Energy: 0.966546226663138
Energy: 1.038288306998625
Energy: 0.8197381792142351
Energy: 1.038288306998625
Energy: 0.8197381792142351
Energy: 1.038288306998625
Energy: 0.8197381792142351
Energy: 0.9411118459163615
Energy: 0.9557757107524011
Energy: 0.9411118459163615
Energy: 0.9557757107524011
Energy: 0.9411118459163615
Energy: 0.9557757107524011
Energy: 0.834566901206402
Energy: 1.005390215409062
Energy: 0.8345669012069603
Energy: 1.005390215407945
Energy: 0.8345669012069603
Energy: 1.0053902154085035
Energy: 1.0586042722011357
Energy: 0.8808761841707414
Energy: 1.0586042722011357
Energy: 0.8808761841707414
Energy: 1.058604272201694
Energy: 0.8808761841712999
Energy: 0.947498673545744
Energy: 0.9528627893681476
Energy: 0.947498673545744
Energy: 0.9528627893687059
Energy: 0.947498673545744
Energy: 0.9528627893687059
Energy: 0.9216262823213949
Energy: 0.9497759813209138
Energy: 0.9216262823208364
Energy: 0.9497759813214721
Energy: 0.9216262823213949
Energy: 0.9497759813214721
Energy: 0.9441681620201692
Energy: 0.9883504287136027
Energy: 0.9441681620201692
Energy: 0.9883504287136027
Energy: 0.9441681620207274
Energy: 0.9883504287136027

minimum gb energy = 0.7696857972165216 eV
minimum distance =  2.34534060987985 Angstroms
sigma value = 67


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

Energy: 1.2236848675207257
Energy: 1.107948291314269
Energy: 1.2236848675199299
Energy: 1.1079482913135459
Energy: 1.2236848675199299
Energy: 1.1079482913135459
Energy: 1.077629794662547
Energy: 1.1992618741304983
Energy: 1.0776297946617515
Energy: 1.1992618741304983
Energy: 1.077629794662547
Energy: 1.1992618741304983
Energy: 1.1468529056593486
Energy: 1.1666060885131107
Energy: 1.1468529056593486
Energy: 1.166606088512315
Energy: 1.1468529056593486
Energy: 1.166606088512315
Energy: 1.166873055756604
Energy: 1.0935986659391708
Energy: 1.1668730557558085
Energy: 1.0935986659391708
Energy: 1.1668730557558085
Energy: 1.0935986659391708
Energy: 0.9621372134452287
Energy: 1.0603221496403252
Energy: 0.9621372134468198
Energy: 1.0603221496411208
Energy: 0.9621372134444331
Energy: 1.0603221496411208
Energy: 1.1494169879835558
Energy: 1.1483766399239916
Energy: 1.1494169879835558
Energy: 1.1483766399239916
Energy: 1.1494169879843512
Energy: 1.1483766399239916
Energy: 1.0811542698089889
Energy: 1.1891775797342123
Energy: 1.0811542698089889
Energy: 1.1891775797334168
Energy: 1.0811542698089889
Energy: 1.1891775797342123
Energy: 1.08149979515188
Energy: 1.052369108728647
Energy: 1.081499795152676
Energy: 1.052369108728647
Energy: 1.081499795153471
Energy: 1.052369108729443
Energy: 1.1824561119745152
Energy: 1.1993101177428263
Energy: 1.1824561119737196
Energy: 1.1993101177428263
Energy: 1.1824561119737196
Energy: 1.1993101177428263
Energy: 1.1644266811522073
Energy: 0.9930999404143114
Energy: 1.1644266811530026
Energy: 0.9930999404135158
Energy: 1.1644266811522073
Energy: 0.9930999404135158
Energy: 1.1543365592091182
Energy: 1.1433468308712555
Energy: 1.1543365592083226
Energy: 1.1433468308712555
Energy: 1.1543365592083226
Energy: 1.1433468308712555
Energy: 1.1662162678379573
Energy: 1.1335896990615606
Energy: 1.1662162678379573
Energy: 1.1335896990607648
Energy: 1.1662162678379573
Energy: 1.1335896990607648
Energy: 1.1399433900002323
Energy: 1.2238658083296041
Energy: 1.1399433900018234
Energy: 1.2238658083296041
Energy: 1.1399433900010276
Energy: 1.2238658083296041
Energy: 1.182898103634501
Energy: 1.178289240591462
Energy: 1.182898103634501
Energy: 1.178289240591462
Energy: 1.1828981036337054
Energy: 1.178289240591462
Energy: 1.1089934956257097
Energy: 1.077596930177794
Energy: 1.1089934956249141
Energy: 1.077596930177794
Energy: 1.108993495626505
Energy: 1.0775969301785895
Energy: 1.1895708799663365
Energy: 1.1157666492880944
Energy: 1.1895708799663365
Energy: 1.1157666492880944
Energy: 1.189570879967132
Energy: 1.1157666492880944
Energy: 1.0977845302187879
Energy: 1.1871229319312937
Energy: 1.0977845302187879
Energy: 1.1871229319297025
Energy: 1.0977845302195837
Energy: 1.1871229319297025
Energy: 1.120621691060304
Energy: 1.0580942419644197
Energy: 1.1206216910610993
Energy: 1.0580942419644197
Energy: 1.1206216910595084
Energy: 1.0580942419636243
Energy: 1.1521723815717375
Energy: 1.2058891497773931
Energy: 1.1521723815717375
Energy: 1.2058891497781887
Energy: 1.1521723815717375
Energy: 1.2058891497773931
Energy: 1.2235984398226878
Energy: 1.196662413431912
Energy: 1.223598439821892
Energy: 1.1966624134327073
Energy: 1.223598439821892
Energy: 1.196662413431912
Energy: 1.2266257131651348
Energy: 1.0786397167280466
Energy: 1.226625713166726
Energy: 1.0786397167280466
Energy: 1.2266257131659304
Energy: 1.0786397167280466
Energy: 1.1677659989249634
Energy: 1.2001910618874214
Energy: 1.1677659989249634
Energy: 1.2001910618874214
Energy: 1.1677659989249634
Energy: 1.2001910618874214
Energy: 1.0223095595126908
Energy: 1.1631115987856007
Energy: 1.0223095595134861
Energy: 1.1631115987856007
Energy: 1.0223095595134861
Energy: 1.1631115987856007

minimum gb energy = 0.9621372134444331 eV
minimum distance =  2.32431811073806 Angstroms
sigma value = 33


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

Energy: 1.344252291551017
Energy: 1.1810893028886553
Energy: 1.344252291551017
Energy: 1.1810893028886553
Energy: 1.344252291551017
Energy: 1.18108930288916
Energy: 1.2012564027999693
Energy: 1.2974632228055096
Energy: 1.2012564027994646
Energy: 1.297463222805005
Energy: 1.2012564027999693
Energy: 1.2974632228055096
Energy: 1.3138678796684458
Energy: 1.2987009195519001
Energy: 1.3138678796679408
Energy: 1.2987009195513954
Energy: 1.3138678796679408
Energy: 1.2987009195513954
Energy: 1.2860888984529717
Energy: 1.1916049598947307
Energy: 1.2860888984539809
Energy: 1.191604959894226
Energy: 1.2860888984534764
Energy: 1.1916049598947307
Energy: 1.2101167036192355
Energy: 1.3129433137066344
Energy: 1.2101167036197402
Energy: 1.3129433137066344
Energy: 1.2101167036192355
Energy: 1.3129433137066344
Energy: 1.4293713559850905
Energy: 1.3136036060536016
Energy: 1.4293713559845858
Energy: 1.313603606053097
Energy: 1.4293713559850905
Energy: 1.313603606053097
Energy: 1.1992859212845262
Energy: 1.1508501726803304
Energy: 1.1992859212850309
Energy: 1.1508501726803304
Energy: 1.1992859212845262
Energy: 1.150850172678816
Energy: 1.2953225554872674
Energy: 1.279600736116525
Energy: 1.295322555487772
Energy: 1.279600736116525
Energy: 1.2953225554867627
Energy: 1.2796007361160204
Energy: 1.276298932008279
Energy: 1.2863117235661605
Energy: 1.2762989320087836
Energy: 1.2863117235661605
Energy: 1.2762989320087836
Energy: 1.2863117235661605
Energy: 1.4060536999182651
Energy: 1.3058300854893445
Energy: 1.4060536999187698
Energy: 1.348194607048774
Energy: 1.4060536999177604
Energy: 1.348194607048774
Energy: 1.3101784935252423
Energy: 1.2945171628062926
Energy: 1.3101784935247376
Energy: 1.2945171628057879
Energy: 1.3101784935247376
Energy: 1.2945171628062926
Energy: 1.2041581654094204
Energy: 1.2038034995549924
Energy: 1.204158165408411
Energy: 1.2038034995549924
Energy: 1.2041581654089157
Energy: 1.2038034995549924
Energy: 1.3275173932000117
Energy: 1.2440842242759884
Energy: 1.327517393199507
Energy: 1.2440842242759884
Energy: 1.327517393199507
Energy: 1.2440842242754837
Energy: 1.261543502568089
Energy: 1.275994702275006
Energy: 1.2615435025685937
Energy: 1.275994702275006
Energy: 1.2615435025675843
Energy: 1.275994702275006
Energy: 1.2405054614322462
Energy: 1.2313963731464914
Energy: 1.2405054614317415
Energy: 1.2313963731464914
Energy: 1.2405054614327509
Energy: 1.2313963731464914
Energy: 1.2859164492656177
Energy: 1.3163652359561009
Energy: 1.2859164492666273
Energy: 1.3163652359561009
Energy: 1.2859164492666273
Energy: 1.316365235955596
Energy: 1.1923213528757322
Energy: 1.3246896142592675
Energy: 1.1923213528802743
Energy: 1.3246896142592675
Energy: 1.1923213528762366
Energy: 1.3246896142587625
Energy: 1.3171835443303463
Energy: 1.365028720484938
Energy: 1.317183544330851
Energy: 1.365028720484938
Energy: 1.3171835443298416
Energy: 1.365028720484938
Energy: 1.1954679009063238
Energy: 1.3667078270762976
Energy: 1.1954679009058191
Energy: 1.3667078270762976
Energy: 1.1954679009063238
Energy: 1.3667078270762976
Energy: 1.3384087795923427
Energy: 1.3008813453619832
Energy: 1.3384087795923427
Energy: 1.3008813453614785
Energy: 1.3384087795923427
Energy: 1.3008813453619832
Energy: 1.3586588089103653
Energy: 1.315427678622722
Energy: 1.3586588089098608
Energy: 1.3154276786232266
Energy: 1.3586588089103653
Energy: 1.315427678622722
Energy: 1.237982012397356
Energy: 1.18241217513852
Energy: 1.237982012397356
Energy: 1.1824121751390246
Energy: 1.237982012397356
Energy: 1.1824121751390246
Energy: 1.2047901598365827
Energy: 1.2946558475978625
Energy: 1.2047901598370871
Energy: 1.2946558475978625
Energy: 1.2047901598370871
Energy: 1.294655847596853
Energy: 1.368843073303791
Energy: 1.2079548140591214
Energy: 1.368843073303791
Energy: 1.2079548140576073
Energy: 1.368843073303791
Energy: 1.207954814058112
Energy: 1.2153109120059187
Energy: 1.2117997475999096
Energy: 1.2153109120049093
Energy: 1.2117997475999096
Energy: 1.2153109120059187
Energy: 1.2117997475999096
Energy: 1.243517475656897
Energy: 1.2899414591409717
Energy: 1.2435174756574017
Energy: 1.289941459140467
Energy: 1.243517475656897
Energy: 1.289941459140467
Energy: 1.1993027999892383
Energy: 1.1820795455064883
Energy: 1.1993027999887336
Energy: 1.1820795455064883
Energy: 1.199302799989743
Energy: 1.1820795455064883
Energy: 1.3595638024500623
Energy: 1.3397037882708285
Energy: 1.3595638024500623
Energy: 1.3397037882713332
Energy: 1.3595638024500623
Energy: 1.3397037882708285
Energy: 1.3354448180041703
Energy: 1.3110584569409045
Energy: 1.3354448180036655
Energy: 1.3110584569409045
Energy: 1.3354448180036655
Energy: 1.3110584569414092
Energy: 1.1951056606223984
Energy: 1.1457525807074038
Energy: 1.1951056606208843
Energy: 1.1457525807074038
Energy: 1.1951056606223984
Energy: 1.1457525807074038
Energy: 1.364473133782715
Energy: 1.3662588220822964
Energy: 1.3644731337832197
Energy: 1.3662588220822964
Energy: 1.3644731337822102
Energy: 1.3662588220817917
Energy: 1.213590255075447
Energy: 1.3004936536733176
Energy: 1.2135902550759514
Energy: 1.3004936536743268
Energy: 1.2135902550744375
Energy: 1.300493653673822
Energy: 1.2843485535152082
Energy: 1.3142735511511558
Energy: 1.2843485535157129
Energy: 1.3142735511511558
Energy: 1.2843485535157129
Energy: 1.3142735511511558
Energy: 1.2486243168773181
Energy: 1.2971018561170822
Energy: 1.2486243168783275
Energy: 1.2971018561170822
Energy: 1.2486243168773181
Energy: 1.2971018561170822
Energy: 1.2071961621878562
Energy: 1.2990258861622561
Energy: 1.207196162188361
Energy: 1.2990258861627606
Energy: 1.207196162188361
Energy: 1.2990258861627606
Energy: 1.3500374861585633
Energy: 1.2448526945504743
Energy: 1.350037486159068
Energy: 1.2448526945504743
Energy: 1.3500374861585633
Energy: 1.2448526945504743
Energy: 1.2018153175490272
Energy: 1.2305942769897262
Energy: 1.2018153175490272
Energy: 1.2305942769897262
Energy: 1.2018153175490272
Energy: 1.2305942769897262

minimum gb energy = 1.1457525807074038 eV
minimum distance =  2.31911225154484 Angstroms
sigma value = 41


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

Energy: 1.4888699900476947
Energy: 1.3519708095477505
Energy: 1.4888699900476947
Energy: 1.3519708095477505
Energy: 1.4888699900476947
Energy: 1.3519708095477505
Energy: 1.3532004732937446
Energy: 1.4425633647335079
Energy: 1.3532004732937446
Energy: 1.4425633647335079
Energy: 1.3532004732937446
Energy: 1.4425633647335079
Energy: 1.6252409761599724
Energy: 1.4441399530598396
Energy: 1.5653198072530299
Energy: 1.4441399530598396
Energy: 1.5653198072530299
Energy: 1.4441399530584615
Energy: 1.5107071130452485
Energy: 1.5652763867586963
Energy: 1.5107071130452485
Energy: 1.5652763867600743
Energy: 1.5107071130438705
Energy: 1.5652763867586963
Energy: 1.469641958123669
Energy: 1.449514169820339
Energy: 1.469641958123669
Energy: 1.449514169821717
Energy: 1.469641958123669
Energy: 1.449514169821717
Energy: 1.5758569009991266
Energy: 1.4783256642810894
Energy: 1.5758569009991266
Energy: 1.4783256642810894
Energy: 1.5758569009991266
Energy: 1.4783256642810894
Energy: 1.5066707304394296
Energy: 1.3672213895044527
Energy: 1.5066707304394296
Energy: 1.3672213895044527
Energy: 1.5066707304394296
Energy: 1.3672213895044527
Energy: 1.4388967370731605
Energy: 1.4692150198811422
Energy: 1.4388967370731605
Energy: 1.4692150198811422
Energy: 1.4388967370731605
Energy: 1.4692150198811422
Energy: 1.352803532104953
Energy: 1.3629388270582203
Energy: 1.352803532106331
Energy: 1.3629388270582203
Energy: 1.352803532104953
Energy: 1.3629388270582203
Energy: 1.5017342973958676
Energy: 1.3885302641884323
Energy: 1.5017342973958676
Energy: 1.3885302641884323
Energy: 1.5017342973958676
Energy: 1.3885302641884323
Energy: 1.3538408730663338
Energy: 1.4436720458712615
Energy: 1.3538408730663338
Energy: 1.4436720458712615
Energy: 1.3538408730663338
Energy: 1.4436720458712615
Energy: 1.434041061643406
Energy: 1.4407587962217145
Energy: 1.434041061643406
Energy: 1.4407587962217145
Energy: 1.434041061643406
Energy: 1.4407587962230926
Energy: 1.47899145331076
Energy: 1.4674602051549719
Energy: 1.47899145331076
Energy: 1.4674602051535937
Energy: 1.478991453312138
Energy: 1.4674602051535937
Energy: 1.471369323258752
Energy: 1.4644479866038058
Energy: 1.471369323258752
Energy: 1.4644479866024276
Energy: 1.471369323258752
Energy: 1.4644479866024276

minimum gb energy = 1.3519708095477505 eV
minimum distance =  2.27512896461062 Angstroms
sigma value = 11


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

Energy: 1.6537250661267235
Energy: 1.6379023996138784
Energy: 1.6537250661267235
Energy: 1.6379023996138784
Energy: 1.6537250661267235
Energy: 1.6379023996138784
Energy: 1.4441006307991817
Energy: 1.59907066342485
Energy: 1.4441006307991817
Energy: 1.59907066342485
Energy: 1.4441006307985766
Energy: 1.59907066342485
Energy: 1.5804546664656844
Energy: 1.552672159386169
Energy: 1.6210027755779601
Energy: 1.552672159386169
Energy: 1.5804546664668953
Energy: 1.552672159386169
Energy: 1.5587484869187052
Energy: 1.448364859445943
Energy: 1.5587484869187052
Energy: 1.448364859445943
Energy: 1.5587484869187052
Energy: 1.448364859445943
Energy: 1.6046966633163906
Energy: 1.535629552948032
Energy: 1.6046966633163906
Energy: 1.535629552948032
Energy: 1.6046966633157855
Energy: 1.535629552948032
Energy: 1.523004734017445
Energy: 1.5748988336436716
Energy: 1.523004734017445
Energy: 1.5748988336430663
Energy: 1.523004734017445
Energy: 1.5748988336436716
Energy: 1.572250833631335
Energy: 1.5373580580623722
Energy: 1.5722508336319405
Energy: 1.5373580580623722
Energy: 1.572250833631335
Energy: 1.5373580580623722
Energy: 1.5301241429252428
Energy: 1.5709854950982978
Energy: 1.5301241429252428
Energy: 1.5709854950982978
Energy: 1.5301241429252428
Energy: 1.5709854950982978
Energy: 1.5517014153467055
Energy: 1.5457041997977896
Energy: 1.5517014153467055
Energy: 1.5457041997977896
Energy: 1.5517014153461
Energy: 1.5457041997977896
Energy: 1.535832609167829
Energy: 1.539822023009799
Energy: 1.535832609167829
Energy: 1.5398220230104043
Energy: 1.535832609167829
Energy: 1.539822023009799
Energy: 1.5242733318902089
Energy: 1.5867255525066293
Energy: 1.524273331890814
Energy: 1.5867255525066293
Energy: 1.524273331890814
Energy: 1.5867255525066293
Energy: 1.5657744296639025
Energy: 1.5909211178218472
Energy: 1.5657744296639025
Energy: 1.5909211178218472
Energy: 1.565774429663297
Energy: 1.5909211178218472
Energy: 1.5606284143786309
Energy: 1.4915027629331141
Energy: 1.5606284143780256
Energy: 1.4915027629331141
Energy: 1.5606284143786309
Energy: 1.4915027629337196
Energy: 1.5347214434919867
Energy: 1.5772111532015196
Energy: 1.5347214434919867
Energy: 1.5772111532027302
Energy: 1.5347214434913812
Energy: 1.577211153202125
Energy: 1.4937698396916432
Energy: 1.512472112202182
Energy: 1.4937698396916432
Energy: 1.512472112202182
Energy: 1.4937698396922487
Energy: 1.512472112202182
Energy: 1.5774755677384935
Energy: 1.5381961095540877
Energy: 1.5774755677378884
Energy: 1.5381961095540877
Energy: 1.5774755677384935
Energy: 1.5381961095540877
Energy: 1.465058169956911
Energy: 1.5542013440435527
Energy: 1.465058169956911
Energy: 1.5542013440435527
Energy: 1.465058169956911
Energy: 1.554201344044158
Energy: 1.5674468737790275
Energy: 1.5872006332086532
Energy: 1.5674468737790275
Energy: 1.587200633208048
Energy: 1.5674468737790275
Energy: 1.5872006332086532
Energy: 1.5231820208022915
Energy: 1.4536355183608685
Energy: 1.5231820208016862
Energy: 1.4536355183608685
Energy: 1.5231820208022915
Energy: 1.4536355183608685
Energy: 1.5291600913070902
Energy: 1.5597258458705614
Energy: 1.5291600913070902
Energy: 1.5597258458711667
Energy: 1.529160091306485
Energy: 1.5597258458705614
Energy: 1.451628850171511
Energy: 1.4938643055703316
Energy: 1.451628850171511
Energy: 1.4938643055703316
Energy: 1.4516288501721164
Energy: 1.493864305569726
Energy: 1.606394670877377
Energy: 1.6460278765015113
Energy: 1.606394670877377
Energy: 1.6460278765015113
Energy: 1.6063946708767716
Energy: 1.6460278765015113
Energy: 1.5088815632096615
Energy: 1.5524931632479029
Energy: 1.5088815632090562
Energy: 1.5524931632472974
Energy: 1.5088815632096615
Energy: 1.5524931632479029
Energy: 1.5855736634703874
Energy: 1.5984184890981472
Energy: 1.5855736634703874
Energy: 1.5984184890981472
Energy: 1.5855736634703874
Energy: 1.5984184890981472
Energy: 1.5351163204044138
Energy: 1.5447274153389206
Energy: 1.5351163204044138
Energy: 1.5447274153383153
Energy: 1.5351163204044138
Energy: 1.5447274153383153
Energy: 1.4696676624160054
Energy: 1.5730661593966364
Energy: 1.4696676624160054
Energy: 1.5730661593966364
Energy: 1.4696676624160054
Energy: 1.5730661593966364
Energy: 1.5229875830607043
Energy: 1.593671621079596
Energy: 1.5229875830619148
Energy: 1.593671621079596
Energy: 1.5229875830613095
Energy: 1.593671621079596
Energy: 1.56101144753731
Energy: 1.4885735079140372
Energy: 1.56101144753731
Energy: 1.4885735079140372
Energy: 1.56101144753731
Energy: 1.4885735079140372
Energy: 1.5334605172128912
Energy: 1.6033481643205931
Energy: 1.5334605172128912
Energy: 1.6033481643211986
Energy: 1.5334605172128912
Energy: 1.6033481643205931
Energy: 1.495240053289627
Energy: 1.4320663395404079
Energy: 1.495240053289627
Energy: 1.4320663395404079
Energy: 1.495240053289627
Energy: 1.4320663395410134
Energy: 1.5336803222115072
Energy: 1.6053642021995844
Energy: 1.5336803222121125
Energy: 1.6053642021995844
Energy: 1.5336803222121125
Energy: 1.605364202198979

minimum gb energy = 1.4320663395404079 eV
minimum distance =  2.25781006309111 Angstroms
sigma value = 57


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

Energy: 1.4550592073654778
Energy: 1.3681725432765817
Energy: 1.4550592073654778
Energy: 1.3681725432765817
Energy: 1.4550592073654778
Energy: 1.3681725432765817
Energy: 1.5653107318232458
Energy: 1.6069025221376112
Energy: 1.5653107318232458
Energy: 1.6069025221365338
Energy: 1.5653107318232458
Energy: 1.6069025221376112
Energy: 1.6160033039324204
Energy: 1.4988521496221263
Energy: 1.6160033039334976
Energy: 1.4988521496221263
Energy: 1.6160033039324204
Energy: 1.4988521496221263
Energy: 1.451846523861875
Energy: 1.4516336581891127
Energy: 1.4518465238607976
Energy: 1.4516336581891127
Energy: 1.451846523862952
Energy: 1.4516336581891127
Energy: 1.6161659558649135
Energy: 1.4988154723614393
Energy: 1.6161659558638362
Energy: 1.4988154723614393
Energy: 1.6161659558638362
Energy: 1.4988154723614393
Energy: 1.5658206321693566
Energy: 1.5416656921125618
Energy: 1.5658206321682793
Energy: 1.4085515926334293
Energy: 1.5658206321682793
Energy: 1.4085515926334293
Energy: 1.4550592073665547
Energy: 1.3681725432755045
Energy: 1.4550592073665547
Energy: 1.3681725432755045
Energy: 1.4550592073654778
Energy: 1.3681725432755045
Energy: 1.5653107318232458
Energy: 1.6069025221376112
Energy: 1.5653107318221684
Energy: 1.6069025221365338
Energy: 1.5653107318232458
Energy: 1.6069025221376112
Energy: 1.6160033039334976
Energy: 1.4988521496242808
Energy: 1.6160033039334976
Energy: 1.4988521496232035
Energy: 1.6160033039324204
Energy: 1.4988521496242808
Energy: 1.451846523861875
Energy: 1.6308680168882095
Energy: 1.4518465238607976
Energy: 1.6308680168871321
Energy: 1.451846523862952
Energy: 1.6308680168871321
Energy: 1.6161659558649135
Energy: 1.4988154723635936
Energy: 1.6161659558649135
Energy: 1.4988154723625167
Energy: 1.6161659558649135
Energy: 1.4988154723635936
Energy: 1.5658206321682793
Energy: 1.4085515926334293
Energy: 1.5658206321682793
Energy: 1.4085515926334293
Energy: 1.5658206321682793
Energy: 1.4085515926334293
Energy: 1.4550592073654778
Energy: 1.3681725432776588
Energy: 1.4550592073654778
Energy: 1.3681725432776588
Energy: 1.4550592073654778
Energy: 1.3681725432765817
Energy: 1.565310731824323
Energy: 1.6069025221354567
Energy: 1.5653107318232458
Energy: 1.6069025221354567
Energy: 1.5653107318232458
Energy: 1.6069025221365338
Energy: 1.6160033039324204
Energy: 1.4988521496221263
Energy: 1.6160033039334976
Energy: 1.4988521496221263
Energy: 1.6160033039324204
Energy: 1.4988521496221263
Energy: 1.451846523862952
Energy: 1.3801200252909118
Energy: 1.4518465238607976
Energy: 1.3801200252919892
Energy: 1.451846523862952
Energy: 1.3801200252919892
Energy: 1.6161659558649135
Energy: 1.4988154723614393
Energy: 1.6161659558649135
Energy: 1.4988154723614393
Energy: 1.6161659558649135
Energy: 1.4988154723614393

minimum gb energy = 1.3681725432755045 eV
minimum distance =  2.29877017195743 Angstroms
sigma value = 9


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

Energy: 1.5576692952022457
Energy: 1.6404915536499216
Energy: 1.557669295201366
Energy: 1.6404915536490419
Energy: 1.5576692952022457
Energy: 1.6404915536490419
Energy: 1.518577819708784
Energy: 1.5236865345233275
Energy: 1.518577819708784
Energy: 1.5236865345242068
Energy: 1.5185778197079043
Energy: 1.5236865345242068
Energy: 1.5788403212786983
Energy: 1.5090302958962805
Energy: 1.5098862914135864
Energy: 1.50903029589716
Energy: 1.5788403212813371
Energy: 1.5090302958962805
Energy: 1.4785712898801804
Energy: 1.6060911831610047
Energy: 1.4785712898810601
Energy: 1.6060911831610047
Energy: 1.4785712898801804
Energy: 1.6060911831610047
Energy: 1.5181832917187974
Energy: 1.5293939116154749
Energy: 1.5181832917179179
Energy: 1.5293939116154749
Energy: 1.5181832917179179
Energy: 1.5293939116154749
Energy: 1.5282177447312395
Energy: 1.5150010913226586
Energy: 1.52821774473036
Energy: 1.515001091323538
Energy: 1.5282177447312395
Energy: 1.5150010913244178
Energy: 1.496575926059919
Energy: 1.5370483296253081
Energy: 1.496575926059919
Energy: 1.5370483296253081
Energy: 1.4965759260607987
Energy: 1.5370483296253081
Energy: 1.4933408770180434
Energy: 1.5510941741833504
Energy: 1.4933408770180434
Energy: 1.5510941741833504
Energy: 1.4933408770180434
Energy: 1.5510941741833504
Energy: 1.708878272420898
Energy: 1.5658994094592877
Energy: 1.708878272420898
Energy: 1.5658994094592877
Energy: 1.7088782724200184
Energy: 1.5658994094592877
Energy: 1.4984664943515371
Energy: 1.505596100143155
Energy: 1.4984664943506578
Energy: 1.505596100143155
Energy: 1.4984664943506578
Energy: 1.505596100143155
Energy: 1.505399849022435
Energy: 1.5186824741784095
Energy: 1.5053998490215557
Energy: 1.5186824741784095
Energy: 1.505399849022435
Energy: 1.5186824741784095
Energy: 1.5842793032703795
Energy: 1.5458274157096947
Energy: 1.5842793032703795
Energy: 1.5458274157096947
Energy: 1.584279303271259
Energy: 1.545827415708815
Energy: 1.4785123164704204
Energy: 1.562863461565185
Energy: 1.4785123164704204
Energy: 1.562863461565185
Energy: 1.4785123164704204
Energy: 1.5628634615660648
Energy: 1.5370390508849328
Energy: 1.507914080997009
Energy: 1.5370390508849328
Energy: 1.507914080997009
Energy: 1.5370390508849328
Energy: 1.507914080997009
Energy: 1.5286061252140242
Energy: 1.5405935492047405
Energy: 1.5286061252131447
Energy: 1.5405935492047405
Energy: 1.5286061252131447
Energy: 1.5405935492047405
Energy: 1.5551941535812268
Energy: 1.5173670574065066
Energy: 1.5551941535803475
Energy: 1.5173670574073859
Energy: 1.5551941535803475
Energy: 1.5173670574073859
Energy: 1.550700389360478
Energy: 1.5181713502245688
Energy: 1.550700389362237
Energy: 1.5181713502245688
Energy: 1.5507003893613576
Energy: 1.5181713502245688
Energy: 1.7212555069191842
Energy: 1.529161403058477
Energy: 1.7212555069183046
Energy: 1.529161403058477
Energy: 1.7212555069183046
Energy: 1.529161403058477
Energy: 1.4960585074269774
Energy: 1.509835981424764
Energy: 1.4960585074269774
Energy: 1.5098359814256435
Energy: 1.4960585074269774
Energy: 1.5098359814256435
Energy: 1.5913166231957028
Energy: 1.5554259311214003
Energy: 1.5913166231957028
Energy: 1.5554259311214003
Energy: 1.5913166231957028
Energy: 1.5554259311214003
Energy: 1.5862880575915579
Energy: 1.5434930450396092
Energy: 1.5862880575915579
Energy: 1.5434930450396092
Energy: 1.5862880575915579
Energy: 1.5434930450387296

minimum gb energy = 1.4785123164704204 eV
minimum distance =  2.28572792366375 Angstroms
sigma value = 27


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

Energy: 1.613840022255803
Energy: 1.8373449188580457
Energy: 1.56961605780601
Energy: 1.8373449188580457
Energy: 1.6138400222550617
Energy: 1.837344918858787
Energy: 1.6082267256319454
Energy: 1.541257923992275
Energy: 1.6082267256319454
Energy: 1.541257923992275
Energy: 1.6082267256319454
Energy: 1.5412579239915334
Energy: 1.4863358818581078
Energy: 1.4985943119037324
Energy: 1.4863358818581078
Energy: 1.4985943119029912
Energy: 1.4863358818588492
Energy: 1.4985943119037324
Energy: 1.4537391967928277
Energy: 1.5974154185597096
Energy: 1.453739196792086
Energy: 1.5974154185611922
Energy: 1.453739196792086
Energy: 1.5974154185597096
Energy: 1.4536114568900311
Energy: 1.5677865636657136
Energy: 1.4536114568900311
Energy: 1.5677865636657136
Energy: 1.4536114568885483
Energy: 1.567786563666455
Energy: 1.576166082806696
Energy: 1.5853980108852292
Energy: 1.576166082806696
Energy: 1.585398010884488
Energy: 1.576166082806696
Energy: 1.585398010884488
Energy: 1.4780619914038648
Energy: 1.5870860088956835
Energy: 1.4780619914031234
Energy: 1.5870860088964251
Energy: 1.4780619914031234
Energy: 1.5870860088956835
Energy: 1.5668557758283905
Energy: 1.485165809848795
Energy: 1.5668557758276493
Energy: 1.485165809848795
Energy: 1.5668557758291322
Energy: 1.485165809848795
Energy: 1.6559948126013921
Energy: 1.4534837393298217
Energy: 1.6559874212364898
Energy: 1.4534837393298217
Energy: 1.6559948126006512
Energy: 1.453483739330563
Energy: 1.585049134285604
Energy: 1.5349732318562
Energy: 1.585113691966151
Energy: 1.5349732318562
Energy: 1.585049134285604
Energy: 1.5349732318554585
Energy: 1.5846855271424587
Energy: 1.5666702465810123
Energy: 1.5847216597275675
Energy: 1.5666702465817537
Energy: 1.5846855271432
Energy: 1.5666702465810123
Energy: 1.5888017016758444
Energy: 1.479331009726666
Energy: 1.5888017016751033
Energy: 1.479331009726666
Energy: 1.5888017016758444
Energy: 1.479331009728149
Energy: 1.5200798724716713
Energy: 1.5994482773913883
Energy: 1.5200798724716713
Energy: 1.5994482773913883
Energy: 1.5200798724716713
Energy: 1.5994482773899055
Energy: 1.4536426733559018
Energy: 1.5114546459901086
Energy: 1.4536426733559018
Energy: 1.5114546459908502
Energy: 1.4536426733559018
Energy: 1.5114546459901086
Energy: 1.6616312526249304
Energy: 1.5828948205277191
Energy: 1.6625776651041881
Energy: 1.5828948205277191
Energy: 1.6616312526241892
Energy: 1.5828948205269777
Energy: 1.5415233573843417
Energy: 1.5680838618205122
Energy: 1.5415233573836005
Energy: 1.5680838618205122
Energy: 1.5415233573843417
Energy: 1.5680838618190296
Energy: 1.4782772390093322
Energy: 1.4866697953983918
Energy: 1.478277239008591
Energy: 1.4866697953983918
Energy: 1.4782772390093322
Energy: 1.4866697953983918
Energy: 1.5973933367195075
Energy: 1.5134502706948447
Energy: 1.597393336720249
Energy: 1.5134502706948447
Energy: 1.5973933367209905
Energy: 1.513450270693362
Energy: 1.5191726343697995
Energy: 1.5074130151017688
Energy: 1.524520688029379
Energy: 1.5074130151010277
Energy: 1.519172634370541
Energy: 1.5074130151010277
Energy: 1.6138400222550617
Energy: 1.8373449188595286
Energy: 1.5696160578052687
Energy: 1.8373449188595286
Energy: 1.6138400222550617
Energy: 1.8373449188595286
Energy: 1.6082267256319454
Energy: 1.541257923992275
Energy: 1.608226725631204
Energy: 1.5412579239930162
Energy: 1.6082267256319454
Energy: 1.541257923992275
Energy: 1.4863358818573666
Energy: 1.4985943119022498
Energy: 1.4863358818573666
Energy: 1.4985943119022498
Energy: 1.4863358818573666
Energy: 1.4985943119022498
Energy: 1.453739196792086
Energy: 1.5974154185597096
Energy: 1.453739196792086
Energy: 1.597415418560451
Energy: 1.453739196792086
Energy: 1.597415418560451
Energy: 1.4536114568900311
Energy: 1.5677865636657136
Energy: 1.4536114568907725
Energy: 1.5677865636649722
Energy: 1.4536114568892897
Energy: 1.5677865636657136
Energy: 1.576166082806696
Energy: 1.585398010884488
Energy: 1.576166082806696
Energy: 1.585398010884488
Energy: 1.576166082806696
Energy: 1.5853980108837464

minimum gb energy = 1.4534837393298217 eV
minimum distance =  2.25898099184184 Angstroms
sigma value = 19


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

Energy: 1.4702739119888204
Energy: 1.6988098380083696
Energy: 1.4702739119888204
Energy: 1.6988098380083696
Energy: 1.4702739119881807
Energy: 1.6988098380083696
Energy: 1.5219688246421292
Energy: 1.5263399371662558
Energy: 1.5219688246421292
Energy: 1.5263399371662558
Energy: 1.5219688246421292
Energy: 1.526339937165616
Energy: 1.558414237473016
Energy: 1.4269194757994377
Energy: 1.558414237473016
Energy: 1.4269194758000776
Energy: 1.558414237473016
Energy: 1.4269194757994377
Energy: 1.418241599480524
Energy: 1.5504848137456304
Energy: 1.418241599480524
Energy: 1.5504848137462703
Energy: 1.418241599480524
Energy: 1.5504848137462703
Energy: 1.522209315414508
Energy: 1.5189889675603692
Energy: 1.522209315414508
Energy: 1.5189889675597292
Energy: 1.522209315415148
Energy: 1.5189889675603692
Energy: 1.5651903827253173
Energy: 1.4258257803081191
Energy: 1.5651903827253173
Energy: 1.4258257803081191
Energy: 1.5651903827253173
Energy: 1.4258257803081191
Energy: 1.4682873228294109
Energy: 1.6372870013346772
Energy: 1.468287322830051
Energy: 1.6372870013346772
Energy: 1.468287322828771
Energy: 1.637287001334037
Energy: 1.4498796188637955
Energy: 1.643752562691465
Energy: 1.4498796188644354
Energy: 1.6437525626921052
Energy: 1.4498796188644354
Energy: 1.643752562691465
Energy: 1.5925863263254518
Energy: 1.3966763567422174
Energy: 1.5925863263254518
Energy: 1.3966763567422174
Energy: 1.5925863263260918
Energy: 1.3966763567422174
Energy: 1.5219551207632596
Energy: 1.5175010087400347
Energy: 1.5219551207638997
Energy: 1.5175010087400347
Energy: 1.5219551207638997
Energy: 1.5175010087400347
Energy: 1.407632240338919
Energy: 1.6300060541719668
Energy: 1.407632240338919
Energy: 1.630006054171327
Energy: 1.407632240338279
Energy: 1.6300060541719668
Energy: 1.5941319711893793
Energy: 1.4250588109214455
Energy: 1.5941319711893793
Energy: 1.4250588109220854
Energy: 1.5941319711893793
Energy: 1.4250588109220854
Energy: 1.542238056926957
Energy: 1.4805619407364712
Energy: 1.5422380569263168
Energy: 1.4805619407364712
Energy: 1.5422380569263168
Energy: 1.4805619407358313
Energy: 1.4240674636807666
Energy: 1.5485072928527204
Energy: 1.4240674636801267
Energy: 1.5485072928527204
Energy: 1.4240674636801267
Energy: 1.5485072928527204
Energy: 1.5635737617709682
Energy: 1.434311420978788
Energy: 1.5635737617709682
Energy: 1.434311420978788
Energy: 1.5635737617709682
Energy: 1.434311420978788
Energy: 1.622658443336457
Energy: 1.3968351315485656
Energy: 1.622658443336457
Energy: 1.3968351315485656
Energy: 1.622658443336457
Energy: 1.3968351315479255
Energy: 1.434852687377773
Energy: 1.5453746233935572
Energy: 1.434852687377773
Energy: 1.5453746233935572
Energy: 1.434852687377773
Energy: 1.5453746233935572
Energy: 1.5039425937062005
Energy: 1.5400414702495073
Energy: 1.5039425937062005
Energy: 1.5400414702488676
Energy: 1.5039425937062005
Energy: 1.5400414702495073
Energy: 1.5353524860567833
Energy: 1.4244397271604243
Energy: 1.5353524860561434
Energy: 1.4244397271604243
Energy: 1.5353524860567833
Energy: 1.4244397271604243
Energy: 1.4337020407688434
Energy: 1.520620626996045
Energy: 1.4337020407694836
Energy: 1.5206206269966849
Energy: 1.4337020407688434
Energy: 1.520620626996045
Energy: 1.4298705428289151
Energy: 1.626801891096604
Energy: 1.4298705428289151
Energy: 1.6268018910972435
Energy: 1.429870542829555
Energy: 1.6268018910972435
Energy: 1.599817141973521
Energy: 1.4267940527712906
Energy: 1.5998171419741607
Energy: 1.4267940527712906
Energy: 1.5998171419741607
Energy: 1.4267940527712906
Energy: 1.5656960853913862
Energy: 1.5239818724062208
Energy: 1.5656960853913862
Energy: 1.5239818724062208
Energy: 1.565696085392026
Energy: 1.5239818724062208
Energy: 1.4586668618215386
Energy: 1.5305532600479552
Energy: 1.4586668618221788
Energy: 1.5305532600473153
Energy: 1.4586668618215386
Energy: 1.5305532600473153
Energy: 1.500487552597482
Energy: 1.4269673275674672
Energy: 1.500487552597482
Energy: 1.4269673275674672
Energy: 1.5004875525981216
Energy: 1.4269673275674672
Energy: 1.5504039768203344
Energy: 1.4507936102290997
Energy: 1.5504039768203344
Energy: 1.4507936102290997
Energy: 1.5504039768203344
Energy: 1.4507936102290997
Energy: 1.401091003949021
Energy: 1.5322678181814162
Energy: 1.401091003949021
Energy: 1.5322678181814162
Energy: 1.401091003949021
Energy: 1.5322678181814162
Energy: 1.5475544621066697
Energy: 1.424372166637894
Energy: 1.5475544621066697
Energy: 1.424372166637894
Energy: 1.5475544621066697
Energy: 1.424372166637894
Energy: 1.5117960594747546
Energy: 1.4245896910544456
Energy: 1.5117960594741147
Energy: 1.4245896910544456
Energy: 1.5117960594747546
Energy: 1.4245896910544456

minimum gb energy = 1.3966763567422174 eV
minimum distance =  2.2761200515137 Angstroms
sigma value = 101


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

Energy: 1.3822548629988893
Energy: 1.5673861831424107
Energy: 1.3822548629983265
Energy: 1.5673861831424107
Energy: 1.3822548629983265
Energy: 1.567386183141848
Energy: 1.4963639135444338
Energy: 1.4325521969635817
Energy: 1.4963639135444338
Energy: 1.4325521969635817
Energy: 1.4963639135421836
Energy: 1.4325521969641442
Energy: 1.4772501638218216
Energy: 1.3615650915432649
Energy: 1.4772501638218216
Energy: 1.3615650915432649
Energy: 1.477250163822384
Energy: 1.3615650915432649
Energy: 1.3235001783855562
Energy: 1.790819264329179
Energy: 1.3235001783866813
Energy: 1.7508596950698925
Energy: 1.3235001783866813
Energy: 1.750859695070455
Energy: 1.4377028576712212
Energy: 1.4219589166260849
Energy: 1.4377028576700959
Energy: 1.42195891662496
Energy: 1.4377028576706585
Energy: 1.4219589166260849
Energy: 1.5467672239457821
Energy: 1.3414328773688984
Energy: 1.5467672239457821
Energy: 1.3414328773683357
Energy: 1.5467672239457821
Energy: 1.3414328773683357
Energy: 1.3578907115266088
Energy: 1.6543253447652293
Energy: 1.3578907115282963
Energy: 1.6543253447663544
Energy: 1.3578907115271712
Energy: 1.6543253447652293
Energy: 1.3423570413456607
Energy: 1.4937853374812151
Energy: 1.3423570413456607
Energy: 1.4937853374812151
Energy: 1.3423570413456607
Energy: 1.4937853374812151
Energy: 1.542308221564787
Energy: 1.3433881958777734
Energy: 1.542308221564787
Energy: 1.3433881958777734
Energy: 1.542308221564787
Energy: 1.3433881958783358
Energy: 1.5152432406087621
Energy: 1.4358486378712103
Energy: 1.5152432406093246
Energy: 1.4926787785953104
Energy: 1.5152432406093246
Energy: 1.4926787785953104
Energy: 1.3224508777760087
Energy: 1.654505022095373
Energy: 1.3224508777760087
Energy: 1.654505022095373
Energy: 1.3224508777760087
Energy: 1.654505022095373
Energy: 1.4285077550363896
Energy: 1.3972072546285708
Energy: 1.4285077550437026
Energy: 1.3972072546285708
Energy: 1.4285077550628291
Energy: 1.3972072546285708
Energy: 1.5049777404842015
Energy: 1.3620327221717896
Energy: 1.504977740484764
Energy: 1.3620327221712272
Energy: 1.5049777404842015
Energy: 1.3620327221717896
Energy: 1.3822251177181009
Energy: 1.5253345272278875
Energy: 1.3822251177181009
Energy: 1.576208736356847
Energy: 1.3822251177175382
Energy: 1.5762087363574095
Energy: 1.483557682026865
Energy: 1.4095768646512825
Energy: 1.4835576820285525
Energy: 1.40957686465072
Energy: 1.483557682026865
Energy: 1.40957686465072
Energy: 1.5603814310906445
Energy: 1.3642025770745865
Energy: 1.560381431091207
Energy: 1.3642025770745865
Energy: 1.5603814310906445
Energy: 1.3642025770745865
Energy: 1.3225078467769331
Energy: 1.4552018921984353
Energy: 1.3225078467769331
Energy: 1.4552018921961851
Energy: 1.3225078467774958
Energy: 1.4552018922001229
Energy: 1.3166132439070475
Energy: 1.4788723050990937
Energy: 1.3166132439076101
Energy: 1.4788723050996564
Energy: 1.3166132439076101
Energy: 1.4788723050990937
Energy: 1.543788746145205
Energy: 1.3415212308111721
Energy: 1.543788746145205
Energy: 1.3415212308111721
Energy: 1.543788746145205
Energy: 1.3415212308111721
Energy: 1.4311046060020598
Energy: 1.4820874327695663
Energy: 1.4311046060026225
Energy: 1.4820874327695663
Energy: 1.4311046060020598
Energy: 1.482087432769004
Energy: 1.3423345526987553
Energy: 1.6394276668259637
Energy: 1.3423345526993178
Energy: 1.6394276668259637
Energy: 1.3423345526987553
Energy: 1.6394276668259637
Energy: 1.657351678880597
Energy: 1.3415428521826656
Energy: 1.657351678880597
Energy: 1.3415428521826656
Energy: 1.657351678880597
Energy: 1.341542852182103
Energy: 1.5451685858424165
Energy: 1.3423458333519545
Energy: 1.5451685858424165
Energy: 1.3423458333519545
Energy: 1.5451685858424165
Energy: 1.3423458333519545
Energy: 1.3236900906061388
Energy: 1.5474198239337627
Energy: 1.3236900906061388
Energy: 1.5474198239337627
Energy: 1.3236900906055762
Energy: 1.5474198239337627
Energy: 1.429486353286407
Energy: 1.3934828384240663
Energy: 1.4294863532858444
Energy: 1.3934828384240663
Energy: 1.4294863532847193
Energy: 1.3934828384246287
Energy: 1.505738887814494
Energy: 1.3616359813720185
Energy: 1.505738887814494
Energy: 1.3616359813725807
Energy: 1.5057388878139315
Energy: 1.3616359813731433
Energy: 1.382206745462047
Energy: 1.5007946736194664
Energy: 1.382206745462047
Energy: 1.500794673618904
Energy: 1.3822067454614846
Energy: 1.500794673618904
Energy: 1.3827267587430112
Energy: 1.5187104541906513
Energy: 1.382726758744136
Energy: 1.5187104541906513
Energy: 1.3827267587435736
Energy: 1.5187104541906513
Energy: 1.5474493840766232
Energy: 1.3615923609207587
Energy: 1.5474493840754981
Energy: 1.3615923609207587
Energy: 1.5474493840766232
Energy: 1.3615923609213212
Energy: 1.316492323156598
Energy: 1.4968775453416074
Energy: 1.316492323156598
Energy: 1.4968775453416074
Energy: 1.316492323156598
Energy: 1.4968775453416074
Energy: 1.3223833867287347
Energy: 1.4708177229285013
Energy: 1.3223833867292973
Energy: 1.4708177229285013
Energy: 1.3223833867292973
Energy: 1.4708177229285013
Energy: 1.526517219291426
Energy: 1.341308645622216
Energy: 1.5265172192908636
Energy: 1.341308645621091
Energy: 1.5265172192908636
Energy: 1.341308645621091
Energy: 1.6583782206050486
Energy: 1.342389219511548
Energy: 1.6583782206056112
Energy: 1.342389219511548
Energy: 1.6583782206056112
Energy: 1.3423892195109857

minimum gb energy = 1.316492323156598 eV
minimum distance =  2.29807074527357 Angstroms
sigma value = 33


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

Energy: 0.02052232793556857
Energy: 1.2229119983178356
Energy: 0.02052232793556857
Energy: 1.2229119983178356
Energy: 0.020522327935984037
Energy: 1.2229119983178356
Energy: 0.021436188547965276
Energy: 0.45538606620791305
Energy: 0.021436188547965276
Energy: 0.45538606620791305
Energy: 0.021436188547965276
Energy: 0.45538606620791305
Energy: 1.223575704018873
Energy: 0.4546869609731446
Energy: 1.223651712871433
Energy: 0.4546869599010288
Energy: 1.2236507726177395
Energy: 0.4546869614304192
Energy: 0.02143618854890008
Energy: 0.45538606620791305
Energy: 0.02143618854890008
Energy: 0.45538606620791305
Energy: 0.02143618854890008
Energy: 0.4553860662083804

minimum gb energy = 0.02052232793556857 eV
minimum distance =  2.48492829418172 Angstroms
sigma value = 1