Model name: model_name=MEAM_LAMMPS_LiyanageKimHouze_2014_FeC__MO_075279800195_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.850997865200043
cohesive_energy=4.280336178503189
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.013295524840122624
Energy: 0.013534915665970263
Energy: 0.38315365325933376
Energy: 0.013534915665970263
Energy: 0.013295524840122624
Energy: 0.013534915665970263
Energy: 0.013534915665970263
Energy: 2.9467062842048937
Energy: 0.013534915665970263
Energy: 3.452824229337755
Energy: 0.013534915665970263
Energy: 2.9467062842048937
Energy: 0.38315365325933376
Energy: 0.01353491566644646
Energy: 0.013295524840122624
Energy: 0.013534915665970263
Energy: 0.38315365325933376
Energy: 0.01353491566644646
Energy: 0.013534915665970263
Energy: 3.4528242293047295
Energy: 0.013534915665970263
Energy: 2.9467062842048937
Energy: 0.013534915665970263
Energy: 2.946706284204417
Energy: 0.013295524840122624
Energy: 0.013534915665970263
Energy: 0.38315365325933376
Energy: 0.013534915665970263
Energy: 0.013295524840122624
Energy: 0.013534915665970263
Energy: 0.013534915665970263
Energy: 2.9467062842048937
Energy: 0.01353491566644646
Energy: 2.946706284204417
Energy: 0.013534915665970263
Energy: 2.9467062842048937

minimum gb energy = 0.013295524840122624 eV
minimum distance =  2.40202687908825 Angstroms
sigma value = 1


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

Energy: 1.5184473373694627
Energy: 1.4612707459347638
Energy: 1.305146690221871
Energy: 1.4612707459347638
Energy: 1.5184473373694627
Energy: 1.4612707459347638
Energy: 1.3207715430153484
Energy: 1.3756409408079746
Energy: 1.3252460913891615
Energy: 1.375640940806761
Energy: 1.3207715430141347
Energy: 1.3756409408079746
Energy: 1.2323176595654857
Energy: 1.4395104395479639
Energy: 1.5164070953234543
Energy: 1.4395104395479639
Energy: 1.2323176595666991
Energy: 1.4395104395491778
Energy: 1.3328800033529524
Energy: 1.3909917206079123
Energy: 1.287092012260014
Energy: 1.3909917206079123
Energy: 1.3328800033517383
Energy: 1.3909917206079123
Energy: 1.3366933932151277
Energy: 1.4642640764751733
Energy: 1.4670169430573463
Energy: 1.4642640764739598
Energy: 1.3366933932163414
Energy: 1.4642640764739598
Energy: 1.3214148707395479
Energy: 1.4414564797436689
Energy: 1.2327536942013384
Energy: 1.4414564797424554
Energy: 1.3214148707395479
Energy: 1.4414564797424554
Energy: 1.326387042655362
Energy: 1.4463320062907645
Energy: 1.2327012564512447
Energy: 1.4463320062907645
Energy: 1.3263870426565754
Energy: 1.4463320062907645
Energy: 1.336978502011054
Energy: 1.4621447352297106
Energy: 1.325211354474705
Energy: 1.4621447352297106
Energy: 1.336978502011054
Energy: 1.4621447352297106
Energy: 1.3357733424231384
Energy: 1.3908609351753878
Energy: 1.3247741391947234
Energy: 1.3908609351766013
Energy: 1.3357733424231384
Energy: 1.3908609351766013
Energy: 1.5175520981942028
Energy: 1.439649321838723
Energy: 1.241009402656334
Energy: 1.4396493218399364
Energy: 1.5175520981942028
Energy: 1.4396493218399364
Energy: 1.3243838141986617
Energy: 1.3771265510209585
Energy: 1.3233341885774315
Energy: 1.3771265510209585
Energy: 1.3243838141998752
Energy: 1.3771265510209585
Energy: 1.2344099198217648
Energy: 1.4625395535388315
Energy: 1.234399997208448
Energy: 1.4625395535388315
Energy: 1.2344099198217648
Energy: 1.4625395535388315
Energy: 1.323453285969211
Energy: 1.3771265510209585
Energy: 1.3461198134011654
Energy: 1.3771265510209585
Energy: 1.323453285969211
Energy: 1.3771265510209585
Energy: 1.2415147120014998
Energy: 1.439967091337301
Energy: 1.517550224398165
Energy: 1.439967091337301
Energy: 1.2415147120014998
Energy: 1.439967091337301
Energy: 1.3249394578558096
Energy: 1.3911718603403709
Energy: 1.3357799993172614
Energy: 1.3911718603403709
Energy: 1.3249394578558096
Energy: 1.3911718603403709
Energy: 1.323492534532741
Energy: 1.462399641796841
Energy: 1.336992704885199
Energy: 1.462399641796841
Energy: 1.323492534532741
Energy: 1.462399641796841
Energy: 1.2327328447934192
Energy: 1.4471145302284307
Energy: 1.3257290871696679
Energy: 1.4471145302284307
Energy: 1.2327328447922055
Energy: 1.4471145302284307
Energy: 1.2327397823383786
Energy: 1.441303148629032
Energy: 1.3217357688103677
Energy: 1.441303148629032
Energy: 1.2327397823383786
Energy: 1.441303148629032
Energy: 1.3779983123460091
Energy: 1.4639150310880098
Energy: 1.3373613454402546
Energy: 1.4639150310880098
Energy: 1.3779983123460091
Energy: 1.4639150310880098
Energy: 1.287191906528806
Energy: 1.3911544291146163
Energy: 1.3329799742043729
Energy: 1.3911544291146163
Energy: 1.287191906528806
Energy: 1.3911544291146163
Energy: 1.5163567885529523
Energy: 1.4394326691370731
Energy: 1.232337382189663
Energy: 1.4394326691370731
Energy: 1.5163567885529523
Energy: 1.4394326691370731
Energy: 1.3255186319386953
Energy: 1.375924758173488
Energy: 1.3234078325650254
Energy: 1.375924758173488
Energy: 1.3255186319386953
Energy: 1.375924758173488
Energy: 1.3222480842192423
Energy: 1.4612707459347638
Energy: 1.5184473373694627
Energy: 1.4612707459347638
Energy: 1.3222480842180286
Energy: 1.4612707459359775

minimum gb energy = 1.2323176595654857 eV
minimum distance =  2.28328153473694 Angstroms
sigma value = 33


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

Energy: 1.5033994307272296
Energy: 1.5470736188075436
Energy: 1.355087641548656
Energy: 1.5470736188068535
Energy: 1.503399430725849
Energy: 1.5470736188068535
Energy: 1.4352560295277417
Energy: 1.4834418877480866
Energy: 1.5054422449019744
Energy: 1.4834418877473963
Energy: 1.4352560295284322
Energy: 1.4834418877480866
Energy: 1.3043339465189145
Energy: 1.5549424671894927
Energy: 1.4960962708753602
Energy: 1.5549424671894927
Energy: 1.3043339465189145
Energy: 1.5549424671894927
Energy: 1.4652170148363526
Energy: 1.485430753700524
Energy: 1.5051385233540473
Energy: 1.485430753700524
Energy: 1.4652170148363526
Energy: 1.485430753700524
Energy: 1.4648511834615259
Energy: 1.528303012647235
Energy: 1.485134815865018
Energy: 1.5283030126465444
Energy: 1.4648511834615259
Energy: 1.528303012647235
Energy: 1.4952858964270652
Energy: 1.5262116911858687
Energy: 1.3090968269147736
Energy: 1.5262116911858687
Energy: 1.4952858964270652
Energy: 1.5262116911858687
Energy: 1.495561651833892
Energy: 1.5229393494614523
Energy: 1.4483935929131915
Energy: 1.5229393494614523
Energy: 1.495561651833892
Energy: 1.5229393494621426
Energy: 1.3359742905883674
Energy: 1.5351640289518462
Energy: 1.5176763848020611
Energy: 1.5351640289525363
Energy: 1.3359742905876768
Energy: 1.5351640289518462
Energy: 1.4416380816120693
Energy: 1.4865892345578868
Energy: 1.497213420537638
Energy: 1.4865892345578868
Energy: 1.4416380816120693
Energy: 1.4865892345585772
Energy: 1.4405155228481392
Energy: 1.5579939609903106
Energy: 1.4612655543000714
Energy: 1.5579939609896203
Energy: 1.4405155228481392
Energy: 1.5579939609896203
Energy: 1.4261372912874348
Energy: 1.6434477736342614
Energy: 1.505373665939313
Energy: 1.643447773633571
Energy: 1.4261372912881252
Energy: 1.643447773633571
Energy: 1.7048377366047018
Energy: 1.53854117306627
Energy: 1.4165525538398622
Energy: 1.53854117306627
Energy: 1.7048377366047018
Energy: 1.53854117306627
Energy: 1.5063804930279667
Energy: 1.500215646639743
Energy: 1.4043122684159113
Energy: 1.500215646639743
Energy: 1.5063804930279667
Energy: 1.5002156466390526
Energy: 1.4731943056562953
Energy: 1.5535657050698448
Energy: 1.4966336172710217
Energy: 1.5535657050691545
Energy: 1.4731943056562953
Energy: 1.5535657050691545
Energy: 1.498123798035395
Energy: 1.5248245300028347
Energy: 1.4905975854213738
Energy: 1.5248245300028347
Energy: 1.498123798035395
Energy: 1.5248245300028347
Energy: 1.4986952435144776
Energy: 1.5267308376910382
Energy: 1.3775662423159163
Energy: 1.5267308376910382
Energy: 1.4986952435144776
Energy: 1.5267308376910382
Energy: 1.5064532826543209
Energy: 1.5269761022524957
Energy: 1.443928401493877
Energy: 1.5269761022524957
Energy: 1.5064532826550112
Energy: 1.5269761022531858
Energy: 1.50575635209897
Energy: 1.514702261229699
Energy: 1.5239556961296503
Energy: 1.514702261229699
Energy: 1.50575635209897
Energy: 1.514702261229699
Energy: 1.3092355630205355
Energy: 1.5307333852718568
Energy: 1.4897226901757037
Energy: 1.530733385272547
Energy: 1.3092355630205355
Energy: 1.5307333852718568
Energy: 1.4353097936175887
Energy: 1.4861584021296794
Energy: 1.4971302193513605
Energy: 1.4861584021296794
Energy: 1.4353097936175887
Energy: 1.4861584021303698
Energy: 1.7033428628131362
Energy: 1.5579999835554765
Energy: 1.3436322327880028
Energy: 1.5579999835554765
Energy: 1.7033428628131362
Energy: 1.5579999835554765
Energy: 1.3607690223993583
Energy: 1.415200994294395
Energy: 1.5055815956293328
Energy: 1.4152009942950854
Energy: 1.3607690223979776
Energy: 1.4152009942957442
Energy: 1.4431078080397775
Energy: 1.5388803006435332
Energy: 1.4873176257830714
Energy: 1.5388803006435332
Energy: 1.443107808040468
Energy: 1.5388803006435332
Energy: 1.5056598584553973
Energy: 1.5140806154444901
Energy: 1.5057561180625434
Energy: 1.5140806154438
Energy: 1.5056598584553973
Energy: 1.5140806154438
Energy: 1.475495868275357
Energy: 1.527454232581049
Energy: 1.4967153431726985
Energy: 1.527454232581049
Energy: 1.475495868275357
Energy: 1.527454232581049
Energy: 1.4970354907914132
Energy: 1.554550655213932
Energy: 1.362951610981456
Energy: 1.554550655213932
Energy: 1.4970354907921035
Energy: 1.554550655213932
Energy: 1.4976492587024952
Energy: 1.554794534786068
Energy: 1.3988052626396208
Energy: 1.554794534786068
Energy: 1.4976492587018049
Energy: 1.5547945347853778
Energy: 1.4770341635815323
Energy: 1.527355456549363
Energy: 1.4953110770270441
Energy: 1.527355456549363
Energy: 1.4770341635815323
Energy: 1.527355456549363
Energy: 1.505770469199557
Energy: 1.5141098567976026
Energy: 1.505786671875188
Energy: 1.5141098567976026
Energy: 1.505770469199557
Energy: 1.5141098567976026
Energy: 1.4431088141973705
Energy: 1.5388725948888218
Energy: 1.5046836660503478
Energy: 1.5388725948881314
Energy: 1.4431088141973705
Energy: 1.5388725948881314
Energy: 1.360686066054075
Energy: 1.4152009942950854
Energy: 1.505545030559162
Energy: 1.415200994294395
Energy: 1.360686066054075
Energy: 1.4152009942957442
Energy: 1.7031992757271819
Energy: 1.5579777141750826
Energy: 1.3437091562720844
Energy: 1.5579777141750826
Energy: 1.7031992757271819
Energy: 1.5579777141750826
Energy: 1.4352770240695993
Energy: 1.486059621244282
Energy: 1.4971084041167966
Energy: 1.486059621244282
Energy: 1.4352770240682189
Energy: 1.486059621244282
Energy: 1.3092375784284602
Energy: 1.5308572341604352
Energy: 1.5109487290151995
Energy: 1.5308572341604352
Energy: 1.3092375784284602
Energy: 1.5308572341611257
Energy: 1.505942935805225
Energy: 1.5143385102753093
Energy: 1.5144854578111497
Energy: 1.5143385102759996
Energy: 1.5059429358059153
Energy: 1.5143385102759996
Energy: 1.5065946912344705
Energy: 1.527097072462937
Energy: 1.4609846922184453
Energy: 1.5270970724636272
Energy: 1.50659469123378
Energy: 1.5270970724636272
Energy: 1.498199009346985
Energy: 1.5269924459951654
Energy: 1.472615176329802
Energy: 1.5269924459944748
Energy: 1.498199009346985
Energy: 1.5269924459944748
Energy: 1.4981440833417756
Energy: 1.5248225644514615
Energy: 1.4902301532052968
Energy: 1.5248225644514615
Energy: 1.498144083342466
Energy: 1.5248225644514615
Energy: 1.4733374661723508
Energy: 1.5536079744690214
Energy: 1.496729414174462
Energy: 1.5536079744690214
Energy: 1.4733374661723508
Energy: 1.5536079744690214
Energy: 1.5066182226913327
Energy: 1.5002096182423972
Energy: 1.4042129568540396
Energy: 1.5002096182423972
Energy: 1.5066182226913327
Energy: 1.5002096182417068
Energy: 1.7048635493697908
Energy: 1.5384913407293161
Energy: 1.4724362657105405
Energy: 1.5384913407286258
Energy: 1.7048635493704811
Energy: 1.5384913407286258

minimum gb energy = 1.3043339465189145 eV
minimum distance =  2.26145053310973 Angstroms
sigma value = 51


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

Energy: 1.8931413277280882
Energy: 1.59747115693116
Energy: 1.4538824778708832
Energy: 1.59747115693116
Energy: 1.8931413277280882
Energy: 1.59747115693116
Energy: 1.3963307423069338
Energy: 1.8214753178529712
Energy: 1.7723477500223899
Energy: 1.8214753178529712
Energy: 1.3963307423069338
Energy: 1.8214753178529712
Energy: 1.3374656663722575
Energy: 1.5978296452663847
Energy: 1.7708889327947441
Energy: 1.5978296452663847
Energy: 1.3374656663722575
Energy: 1.5978296452663847
Energy: 1.3532579580850628
Energy: 1.5410473903823723
Energy: 1.7704287565049217
Energy: 1.5410473903823723
Energy: 1.3532579580850628
Energy: 1.5410473903823723
Energy: 1.3378661281734032
Energy: 1.5343691575928116
Energy: 1.6245223734294385
Energy: 1.5343691575928116
Energy: 1.3378661281718038
Energy: 1.5343691575928116
Energy: 1.7114099571511072
Energy: 1.5408549795441668
Energy: 1.7755593140655765
Energy: 1.5408549795441668
Energy: 1.7114099571511072
Energy: 1.5408549795441668
Energy: 1.7110436632714496
Energy: 1.5394703100889726
Energy: 1.5508068222208946
Energy: 1.5394703100889726
Energy: 1.7110436632714496
Energy: 1.5394703100889726
Energy: 1.3542860929889515
Energy: 1.5416401486894837
Energy: 1.341764440256481
Energy: 1.541640148687884
Energy: 1.3542860929889515
Energy: 1.5416401486894837
Energy: 1.7117990445102285
Energy: 1.5529890465591245
Energy: 1.3758388889785487
Energy: 1.5529890465591245
Energy: 1.7117990445102285
Energy: 1.5529890465591245
Energy: 1.336823041899129
Energy: 1.5987649889739115
Energy: 1.341578687317473
Energy: 1.598764988975511
Energy: 1.336823041899129
Energy: 1.598764988975511
Energy: 1.7123898918702403
Energy: 1.8156934007946302
Energy: 1.7695014075445397
Energy: 1.8156934007962295
Energy: 1.7123898918702403
Energy: 1.8156934007946302
Energy: 1.7114867166160335
Energy: 1.5983359100733638
Energy: 1.7748682735481378
Energy: 1.5983359100717642
Energy: 1.7114867166160335
Energy: 1.5983359100717642
Energy: 1.5300813723108935
Energy: 1.8171771726251729
Energy: 1.7694860232559173
Energy: 1.8171771726235735
Energy: 1.5300813723108935
Energy: 1.8171771726235735
Energy: 1.3370461709825734
Energy: 1.5984087370418862
Energy: 1.770123036318639
Energy: 1.5984087370418862
Energy: 1.3370461709825734
Energy: 1.5984087370418862
Energy: 1.337053626223843
Energy: 1.602509121133224
Energy: 1.76951972328048
Energy: 1.6025091211316609
Energy: 1.337053626223843
Energy: 1.6025091211316609
Energy: 1.3380834271393847
Energy: 1.5343652934421625
Energy: 1.769919838527655
Energy: 1.5343652934421625
Energy: 1.3380834271393847
Energy: 1.5343652934421625
Energy: 1.7115220216577964
Energy: 1.598018703677314
Energy: 1.7738717188057291
Energy: 1.598018703677314
Energy: 1.7115220216577964
Energy: 1.598018703677314
Energy: 1.7113727405514843
Energy: 1.535611944065629
Energy: 1.7696162442798529
Energy: 1.535611944065629
Energy: 1.7113727405514843
Energy: 1.535611944065629

minimum gb energy = 1.336823041899129 eV
minimum distance =  2.2682068638636 Angstroms
sigma value = 19


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

Energy: 1.7699240414005735
Energy: 1.646311994693121
Energy: 1.5346178800299197
Energy: 1.646311994693121
Energy: 1.7699240413996247
Energy: 1.646311994693121
Energy: 1.4514409989529204
Energy: 1.6650202972169499
Energy: 1.6373904939414667
Energy: 1.6650202972169499
Energy: 1.4514409989529204
Energy: 1.6650202972169499
Energy: 1.4541528097095964
Energy: 1.6688338318373028
Energy: 1.5994329187481988
Energy: 1.6688338318373028
Energy: 1.4541528097095964
Energy: 1.6688338318373028
Energy: 1.4738483072858417
Energy: 1.6539147855917826
Energy: 1.6688600244678544
Energy: 1.6539147855917826
Energy: 1.4738483072867905
Energy: 1.6539147855917826
Energy: 1.501095161586221
Energy: 1.6457241706899712
Energy: 1.6770873336859382
Energy: 1.6457241706899712
Energy: 1.501095161586221
Energy: 1.6457241706899712
Energy: 1.675175421548173
Energy: 1.6459363236830673
Energy: 1.5012268354343816
Energy: 1.6459363236830673
Energy: 1.675175421548173
Energy: 1.6459363236830673
Energy: 1.6690605662767128
Energy: 1.6538390237077565
Energy: 1.53806898753139
Energy: 1.6538390237077565
Energy: 1.669060566275764
Energy: 1.6538390237077565
Energy: 1.5993841374117754
Energy: 1.6688358874095903
Energy: 1.4541442251240915
Energy: 1.6688358874086415
Energy: 1.5993841374127242
Energy: 1.6688358874086415
Energy: 1.6376153237124818
Energy: 1.6645193827704141
Energy: 1.4519974688575508
Energy: 1.6645193827694653
Energy: 1.6376153237124818
Energy: 1.6645193827704141
Energy: 1.535067028111626
Energy: 1.646311994693121
Energy: 1.7699240413996247
Energy: 1.646311994693121
Energy: 1.535067028111626
Energy: 1.646311994693121
Energy: 1.6373904939414667
Energy: 1.6650202972169499
Energy: 1.4514409989529204
Energy: 1.6650202972169499
Energy: 1.6373904939414667
Energy: 1.6650202972169499
Energy: 1.5994329187481988
Energy: 1.6688338318373028
Energy: 1.4541528097095964
Energy: 1.6688338318373028
Energy: 1.5994329187481988
Energy: 1.6688338318382514
Energy: 1.6688600244678544
Energy: 1.6539147855908338
Energy: 1.4738483072867905
Energy: 1.6539147855917826
Energy: 1.6688600244678544
Energy: 1.6539147855908338
Energy: 1.6770873336859382
Energy: 1.6457241706899712
Energy: 1.501095161586221
Energy: 1.6457241706899712
Energy: 1.6770873336859382
Energy: 1.6457241706899712
Energy: 1.5012268354343816
Energy: 1.6459363236830673
Energy: 1.6652618751759045
Energy: 1.6459363236830673
Energy: 1.5012268354343816
Energy: 1.6459363236830673
Energy: 1.5380689875323388
Energy: 1.6538390237068081
Energy: 1.6690605662767128
Energy: 1.6538390237068081
Energy: 1.5380689875323388
Energy: 1.6538390237068081
Energy: 1.4541442251231427
Energy: 1.6688358874086415
Energy: 1.5993841374127242
Energy: 1.6688358874086415
Energy: 1.4541442251240915
Energy: 1.6688358874086415
Energy: 1.4519974688575508
Energy: 1.6645193827694653
Energy: 1.6376153237124818
Energy: 1.6645193827704141
Energy: 1.4519974688575508
Energy: 1.6645193827704141
Energy: 1.7699240413996247
Energy: 1.646311994693121
Energy: 1.535067028111626
Energy: 1.646311994693121
Energy: 1.7699240413996247
Energy: 1.646311994693121
Energy: 1.4514409989529204
Energy: 1.6650202972169499
Energy: 1.6373904939414667
Energy: 1.6650202972169499
Energy: 1.4514409989529204
Energy: 1.6650202972169499
Energy: 1.4541528097095964
Energy: 1.6688338318373028
Energy: 1.5994329187481988
Energy: 1.6688338318373028
Energy: 1.4541528097095964
Energy: 1.6688338318373028
Energy: 1.4738483072867905
Energy: 1.6539147855917826
Energy: 1.6688600244678544
Energy: 1.6539147855917826
Energy: 1.4738483072867905
Energy: 1.6539147855917826
Energy: 1.50109516158717
Energy: 1.6457241706899712
Energy: 1.6770873336859382
Energy: 1.6457241706899712
Energy: 1.50109516158717
Energy: 1.6457241706899712
Energy: 1.6652618751759045
Energy: 1.6459363236830673
Energy: 1.5012268354343816
Energy: 1.6459363236830673
Energy: 1.6652618751749557
Energy: 1.6459363236830673
Energy: 1.6690605662767128
Energy: 1.6538390237068081
Energy: 1.5518223544534857
Energy: 1.6538390237077565
Energy: 1.6690605662767128
Energy: 1.6538390237077565
Energy: 1.5993841374127242
Energy: 1.6688358874086415
Energy: 1.4541442251240915
Energy: 1.6688358874095903
Energy: 1.5993841374127242
Energy: 1.6688358874095903
Energy: 1.6376153237124818
Energy: 1.6645193827694653
Energy: 1.4519974688575508
Energy: 1.6645193827694653
Energy: 1.6376153237124818
Energy: 1.6645193827704141
Energy: 1.4856044968815079
Energy: 1.646311994693121
Energy: 1.7699240413996247
Energy: 1.646311994693121
Energy: 1.4856044968824567
Energy: 1.646311994693121
Energy: 1.6373904939414667
Energy: 1.6650202972169499
Energy: 1.4514409989538692
Energy: 1.6650202972169499
Energy: 1.6373904939414667
Energy: 1.6650202972169499
Energy: 1.5994329187481988
Energy: 1.6688338318373028
Energy: 1.4541528097086476
Energy: 1.6688338318373028
Energy: 1.5994329187481988
Energy: 1.6688338318373028

minimum gb energy = 1.4514409989529204 eV
minimum distance =  2.24715880885087 Angstroms
sigma value = 27


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

Energy: 1.4476715755903722
Energy: 1.5741499351571115
Energy: 1.6543041510381111
Energy: 1.574149935156874
Energy: 1.4476715755899232
Energy: 1.574149935156874
Energy: 1.4366213127779006
Energy: 1.602530307067597
Energy: 1.4534031895178794
Energy: 1.602530307067597
Energy: 1.4366213127774516
Energy: 1.602530307067597
Energy: 1.455237672514535
Energy: 1.6474847770444956
Energy: 1.488788570509708
Energy: 1.6474847770447334
Energy: 1.455237672514535
Energy: 1.6474847770444956
Energy: 1.4835068735325105
Energy: 1.5759955227544729
Energy: 1.453611850344343
Energy: 1.575995522754235
Energy: 1.4835068735327483
Energy: 1.5759955227544729
Energy: 1.5000645495645537
Energy: 1.567403912431714
Energy: 1.5724944885690322
Energy: 1.5674039124314763
Energy: 1.5000645495647915
Energy: 1.567403912431714
Energy: 1.453491964090252
Energy: 1.6455450141744448
Energy: 1.4894864302033979
Energy: 1.645545014174207
Energy: 1.453491964090252
Energy: 1.645545014174207
Energy: 1.4986584143051427
Energy: 1.5808470345331214
Energy: 1.4559353826137327
Energy: 1.580847034533359
Energy: 1.4986584143051427
Energy: 1.5808470345335968
Energy: 1.4448916589771774
Energy: 1.5679048305562413
Energy: 1.4999741833950944
Energy: 1.5679048305562413
Energy: 1.4448916589771774
Energy: 1.5679048305562413
Energy: 1.4544445553177476
Energy: 1.5680224356890091
Energy: 1.5066147013179891
Energy: 1.5680224356887713
Energy: 1.4544445553168233
Energy: 1.5680224356890091
Energy: 1.4536727588972511
Energy: 1.642411339172417
Energy: 1.4535770965209307
Energy: 1.642411339172628
Energy: 1.4536727588970133
Energy: 1.642411339172628
Energy: 1.453197832528107
Energy: 1.5687245866280042
Energy: 1.4538600880773733
Energy: 1.5687245866277666
Energy: 1.4531978325283448
Energy: 1.5687245866277666
Energy: 1.4999215203752372
Energy: 1.5677865463818061
Energy: 1.4451021583800105
Energy: 1.567786546382044
Energy: 1.4999215203749994
Energy: 1.5677865463818061

minimum gb energy = 1.4366213127774516 eV
minimum distance =  2.26737540603599 Angstroms
sigma value = 9


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

Energy: 1.5582684867679248
Energy: 1.6754686600020716
Energy: 1.6494734118122951
Energy: 1.6754686600027247
Energy: 1.5582684867685777
Energy: 1.6754686600020716
Energy: 1.5160806571107888
Energy: 1.6626383161740306
Energy: 1.4474964597164568
Energy: 1.6741727167651124
Energy: 1.5160806571127476
Energy: 1.6626383161753366
Energy: 1.4959270925138974
Energy: 1.6734616083746587
Energy: 1.4470000799802578
Energy: 1.6734616083746587
Energy: 1.4959270925132444
Energy: 1.6734616083746587
Energy: 1.4757951079093008
Energy: 1.6692180047964822
Energy: 1.4847823031184562
Energy: 1.6692180047964822
Energy: 1.4757951079093008
Energy: 1.6692180047958294
Energy: 1.4761036858836543
Energy: 1.6551708796821891
Energy: 1.4720544186917952
Energy: 1.655170879681536
Energy: 1.476103685884307
Energy: 1.655170879681536
Energy: 1.4580358052329683
Energy: 1.6265186511775265
Energy: 1.4886883205693486
Energy: 1.6763960240684008
Energy: 1.4580358052329683
Energy: 1.6265186511768734
Energy: 1.528454955841174
Energy: 1.6541973263176901
Energy: 1.4439481406191463
Energy: 1.654197326316384
Energy: 1.528454955822237
Energy: 1.6541973263157312
Energy: 1.4421532785322548
Energy: 1.6710941072546777
Energy: 1.4822844174141965
Energy: 1.6710941072546777
Energy: 1.4421532785316018
Energy: 1.6710941072546777
Energy: 1.5473623884119259
Energy: 1.7193855785924257
Energy: 1.4489479220342258
Energy: 1.719385578593079
Energy: 1.5473623884119259
Energy: 1.7193855785924257
Energy: 1.4447466051624538
Energy: 1.6787254137297767
Energy: 1.5008603900260644
Energy: 1.6787254137291236
Energy: 1.4447466051631068
Energy: 1.6787254137291236
Energy: 1.5370057031058628
Energy: 1.652563584463436
Energy: 1.447115914700877
Energy: 1.6525635844640891
Energy: 1.5370057031058628
Energy: 1.652563584463436
Energy: 1.465158697601371
Energy: 1.6580685225595542
Energy: 1.4502015632163792
Energy: 1.658068522560207
Energy: 1.465158697601371
Energy: 1.658068522560207
Energy: 1.461725564828866
Energy: 1.6676954512308184
Energy: 1.4864839848012512
Energy: 1.6676954512314714
Energy: 1.4617255648282133
Energy: 1.6676954512301656
Energy: 1.5420113437972172
Energy: 1.6721978137740798
Energy: 1.4842200385644826
Energy: 1.672197813773427
Energy: 1.5420113437965641
Energy: 1.6721978137740798
Energy: 1.4537007277812424
Energy: 1.724152332282224
Energy: 1.4956360513965876
Energy: 1.724152332282224
Energy: 1.4537007277812424
Energy: 1.724152332282224
Energy: 1.4608996322637808
Energy: 1.6567887594796242
Energy: 1.4507636811382683
Energy: 1.656788759478971
Energy: 1.4608996322637808
Energy: 1.6567887594796242
Energy: 1.4465235147482176
Energy: 1.6706598139730602
Energy: 1.4982422723422248
Energy: 1.6706598139730602
Energy: 1.4465235147469115
Energy: 1.6706598139730602
Energy: 1.48081526136868
Energy: 1.6747630845735104
Energy: 1.4562319040983007
Energy: 1.6747630845735104
Energy: 1.4808152613693328
Energy: 1.6747630845735104
Energy: 1.4400290612059252
Energy: 1.6703729143433188
Energy: 1.4614963902342761
Energy: 1.6703729143433188
Energy: 1.4400290612059252
Energy: 1.6703729143433188
Energy: 1.4863822595439213
Energy: 1.7393503189133062
Energy: 1.4865155729355735
Energy: 1.754925558110376
Energy: 1.4863822595439213
Energy: 1.7393503189139592
Energy: 1.4612775479919828
Energy: 1.670202385604567
Energy: 1.4394417003406748
Energy: 1.6702023856039139
Energy: 1.4612775479926359
Energy: 1.670202385604567
Energy: 1.4562622833661536
Energy: 1.674781148552872
Energy: 1.480835839251832
Energy: 1.674781148552872
Energy: 1.4562622833661536
Energy: 1.674781148552872
Energy: 1.4981836781770688
Energy: 1.6701844064108904
Energy: 1.444367580911007
Energy: 1.6701844064115432
Energy: 1.4981836781777218
Energy: 1.6701844064115432
Energy: 1.4505873071030142
Energy: 1.652893895997738
Energy: 1.4604965736184983
Energy: 1.652893895997738
Energy: 1.4505873071030142
Energy: 1.6528938959970851
Energy: 1.4955963896123765
Energy: 1.7244100325507883
Energy: 1.446457338483037
Energy: 1.7244100325507883
Energy: 1.4955963896117235
Energy: 1.724410032551441
Energy: 1.48385517864014
Energy: 1.672188239690995
Energy: 1.5452983783432206
Energy: 1.6721882396916479
Energy: 1.4838551786394867
Energy: 1.6721882396916479
Energy: 1.486594163220718
Energy: 1.668671597204802
Energy: 1.4614842604661369
Energy: 1.668671597204802
Energy: 1.486594163220718
Energy: 1.668671597204802
Energy: 1.4504553743817767
Energy: 1.6580351089060643
Energy: 1.4651922884159565
Energy: 1.6580351089060643
Energy: 1.4504553743824298
Energy: 1.6580351089060643
Energy: 1.4471585959654132
Energy: 1.6530941200428428
Energy: 1.510323997003938
Energy: 1.6530941200434959
Energy: 1.4471585959660664
Energy: 1.6530941200434959
Energy: 1.5006637048250768
Energy: 1.6793988379940474
Energy: 1.4436229957999402
Energy: 1.6793988379940474
Energy: 1.5006637048244238
Energy: 1.6793988379940474
Energy: 1.4512363912365704
Energy: 1.7193855785937318
Energy: 1.5476247151870948
Energy: 1.7193855785937318
Energy: 1.4512363912365704
Energy: 1.7193855785943848
Energy: 1.4822887080650842
Energy: 1.6712162260520176
Energy: 1.441615825183076
Energy: 1.6712162260520176
Energy: 1.4822887080650842
Energy: 1.6712162260520176
Energy: 1.4439742719507496
Energy: 1.6543900605405277
Energy: 1.5239336704168958
Energy: 1.654390060541181
Energy: 1.4439742719500965
Energy: 1.654390060541181
Energy: 1.4888071911239575
Energy: 1.6547157602407416
Energy: 1.4580170431928938
Energy: 1.6547157602407416
Energy: 1.4888071911239575
Energy: 1.6547157602400886
Energy: 1.4837569406848612
Energy: 1.654338401556193
Energy: 1.476100972581606
Energy: 1.654338401556193
Energy: 1.4837569406848612
Energy: 1.654338401556193
Energy: 1.4850291230189392
Energy: 1.6690578097383468
Energy: 1.475978326634344
Energy: 1.6690578097383468
Energy: 1.4850291230189392
Energy: 1.6690578097383468
Energy: 1.4469868508269808
Energy: 1.6736476016631217
Energy: 1.4962079929943002
Energy: 1.6736476016637747
Energy: 1.4469868508269808
Energy: 1.6736476016624688
Energy: 1.4474968944550826
Energy: 1.6420050352100972
Energy: 1.5163436287886685
Energy: 1.642005035209444
Energy: 1.4474968944550826
Energy: 1.642005035209444
Energy: 1.564633795960968
Energy: 1.6754686600027247
Energy: 1.5582684867718428
Energy: 1.6754686600020716
Energy: 1.564633795960968
Energy: 1.6754686600020716
Energy: 1.4474964597164568
Energy: 1.6626383161818667
Energy: 1.5160806571114418
Energy: 1.6626383161857845
Energy: 1.4474964597158038
Energy: 1.6626383161812135
Energy: 1.4470000799802578
Energy: 1.6734616083746587
Energy: 1.4959270925132444
Energy: 1.6734616083746587
Energy: 1.4470000799802578
Energy: 1.6734616083746587
Energy: 1.4847823031191092
Energy: 1.6692180047964822
Energy: 1.4757951079093008
Energy: 1.6692180047958294
Energy: 1.4847823031191092
Energy: 1.6692180047958294
Energy: 1.4620303839502757
Energy: 1.655170879681536
Energy: 1.476103685884307
Energy: 1.655170879680883
Energy: 1.4620303839509288
Energy: 1.655170879681536

minimum gb energy = 1.4394417003406748 eV
minimum distance =  2.236620652603 Angstroms
sigma value = 57


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

Energy: 1.3272654315648806
Energy: 1.5623815862046175
Energy: 1.4216597684623604
Energy: 1.562381586203131
Energy: 1.3272654315648806
Energy: 1.562381586203131
Energy: 1.2762637502719687
Energy: 1.5880383053128948
Energy: 1.3029087492845406
Energy: 1.5880383053114082
Energy: 1.2762637502719687
Energy: 1.5880383053143812
Energy: 1.2769209769501713
Energy: 1.5350938227139819
Energy: 1.3975112726379058
Energy: 1.5350938227154682
Energy: 1.2769209769501713
Energy: 1.5350938227139819
Energy: 1.2957142001248008
Energy: 1.5349676145782574
Energy: 1.3027809540023108
Energy: 1.534967614579744
Energy: 1.2957142001262871
Energy: 1.5349676145782574
Energy: 1.2957225114919844
Energy: 1.553978648076397
Energy: 1.2858745630525388
Energy: 1.553978648076397
Energy: 1.295722511490498
Energy: 1.5539786480778837
Energy: 1.2936989141850275
Energy: 1.5367232224772034
Energy: 1.265090105569455
Energy: 1.5367232224742307
Energy: 1.2936989141850275
Energy: 1.5367232224757168
Energy: 1.2937113018033184
Energy: 1.5348927207167522
Energy: 1.2652118204308511
Energy: 1.5348927207167522
Energy: 1.2937113018033184
Energy: 1.5348927207182386
Energy: 1.2957586062002593
Energy: 1.5560139219974656
Energy: 1.270692222303995
Energy: 1.5560139222351643
Energy: 1.2957586062002593
Energy: 1.556013921963277
Energy: 1.295800146576541
Energy: 1.5346432449026133
Energy: 1.3030038099511472
Energy: 1.5346432449026133
Energy: 1.295800146576541
Energy: 1.5346432449026133
Energy: 1.2766212705781625
Energy: 1.5350156147870309
Energy: 1.3974401600986253
Energy: 1.5350156147870309
Energy: 1.2766212705781625
Energy: 1.5350156147870309
Energy: 1.2764286041948871
Energy: 1.5880383053114082
Energy: 1.270602743293533
Energy: 1.5880383053099216
Energy: 1.2764286041948871
Energy: 1.5880383053099216
Energy: 1.3272654315648806
Energy: 1.562381586203131
Energy: 1.4301098210583303
Energy: 1.5623815862046175
Energy: 1.3272654315648806
Energy: 1.562381586203131
Energy: 1.2762637502719687
Energy: 1.5880383053114082
Energy: 1.2860548433473635
Energy: 1.5880383053128948
Energy: 1.2762637502734553
Energy: 1.5880383053128948
Energy: 1.2769209769501713
Energy: 1.5350938227154682
Energy: 1.3975112726364192
Energy: 1.5350938227139819
Energy: 1.2769209769501713
Energy: 1.5350938227139819
Energy: 1.2957142001262871
Energy: 1.5349676145782574
Energy: 1.2707586837841294
Energy: 1.5349676145782574
Energy: 1.2957142001262871
Energy: 1.534967614579744
Energy: 1.2957225114919844
Energy: 1.5539786480778837
Energy: 1.2858745630525388
Energy: 1.5539786480778837
Energy: 1.2957225114919844
Energy: 1.553978648076397
Energy: 1.2936989141850275
Energy: 1.5367232224772034
Energy: 1.265090105569455
Energy: 1.5367232224772034
Energy: 1.2936989141850275
Energy: 1.5367232224757168
Energy: 1.293711301801832
Energy: 1.5348927207167522
Energy: 1.2652118204308511
Energy: 1.5348927207167522
Energy: 1.293711301801832
Energy: 1.5348927207167522
Energy: 1.2957586062002593
Energy: 1.556013922096991
Energy: 1.2706922223025083
Energy: 1.5560139221073963
Energy: 1.2957586062017457
Energy: 1.556013922007837

minimum gb energy = 1.265090105569455 eV
minimum distance =  2.24523219825054 Angstroms
sigma value = 11


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

Energy: 1.4023743765304106
Energy: 1.5027742714291827
Energy: 1.4483114359722056
Energy: 1.5027742714302714
Energy: 1.4023743765304106
Energy: 1.5027742714291827
Energy: 1.3487277567403446
Energy: 1.4066846694803206
Energy: 1.1483719034980966
Energy: 1.4066846694814095
Energy: 1.3487277567349003
Energy: 1.4066846694814095
Energy: 1.3785854309575605
Energy: 1.4510853351108506
Energy: 1.1663890227426823
Energy: 1.4510853351119395
Energy: 1.3785854309542938
Energy: 1.4510853351108506
Energy: 1.2147960292129456
Energy: 1.418954935567861
Energy: 1.1596291517779722
Energy: 1.41895493556895
Energy: 1.2147960292129456
Energy: 1.418954935567861
Energy: 1.173095267989509
Energy: 1.5105076843745489
Energy: 1.1566634870774453
Energy: 1.5105076843756378
Energy: 1.173095267990598
Energy: 1.5105076843756378
Energy: 1.2241687182503327
Energy: 1.4836851016663202
Energy: 1.3210692935024673
Energy: 1.4836851016652313
Energy: 1.2241687182514216
Energy: 1.4836851016652313
Energy: 1.22066515333849
Energy: 1.376805376452204
Energy: 1.2319888659774525
Energy: 1.376805376452204
Energy: 1.22066515333849
Energy: 1.3768053764532928
Energy: 1.2862147568841527
Energy: 1.5086854448779137
Energy: 1.1696823058771586
Energy: 1.5086854448790026
Energy: 1.2862147568841527
Energy: 1.5086854448790026
Energy: 1.2626254759825586
Energy: 1.503953323341402
Energy: 1.1714572896293152
Energy: 1.5039533233392244
Energy: 1.2626254759825586
Energy: 1.5039533233403133
Energy: 1.1719373657950343
Energy: 1.3751119835940908
Energy: 1.303866109048863
Energy: 1.3751119835940908
Energy: 1.1719373657961232
Energy: 1.375111983593002
Energy: 1.229958629127937
Energy: 1.4806166531895233
Energy: 1.2736899480499257
Energy: 1.4806166531906122
Energy: 1.229958629127937
Energy: 1.4806166531906122
Energy: 1.1645680347653173
Energy: 1.5084944771667885
Energy: 1.1602499220442937
Energy: 1.5084944771678774
Energy: 1.1645680347653173
Energy: 1.5084944771667885
Energy: 1.3580512268494975
Energy: 1.4197430337712944
Energy: 1.1573587533636454
Energy: 1.4197430337702057
Energy: 1.358051226735216
Energy: 1.4197430337723833
Energy: 1.2930902129515753
Energy: 1.430828920477254
Energy: 1.1647131998628326
Energy: 1.430828920475076
Energy: 1.293090212952664
Energy: 1.430828920476165
Energy: 1.3494510352935787
Energy: 1.4070575361646809
Energy: 1.1461411588390993
Energy: 1.4070575361646809
Energy: 1.3494510352957563
Energy: 1.4070575361646809
Energy: 1.3142838881519627
Energy: 1.4996229032632677
Energy: 1.3107953893405766
Energy: 1.4996229032632677
Energy: 1.3142838880909864
Energy: 1.4996229032621788
Energy: 1.166904925616414
Energy: 1.4062817210883722
Energy: 1.1512200653382554
Energy: 1.4062817210872833
Energy: 1.1669049256185915
Energy: 1.4062817210883722
Energy: 1.2941776502872957
Energy: 1.4406438616370805
Energy: 1.2170110894843753
Energy: 1.4406438616370805
Energy: 1.2941776502894735
Energy: 1.4406438616381694
Energy: 1.2131274449979776
Energy: 1.419239046552494
Energy: 1.1591436315214478
Energy: 1.4192390465503164
Energy: 1.2131274449990666
Energy: 1.419239046551405
Energy: 1.1639889200604672
Energy: 1.511919001713714
Energy: 1.3072813207649816
Energy: 1.5119190017115363
Energy: 1.1639889200615563
Energy: 1.5119190017115363
Energy: 1.3517437814364335
Energy: 1.4825920712986045
Energy: 1.227864341350444
Energy: 1.4825920712986045
Energy: 1.3517437814364335
Energy: 1.4825920712986045
Energy: 1.1720036783544165
Energy: 1.402760756830311
Energy: 1.295799092621335
Energy: 1.4027607568314
Energy: 1.1720036783544165
Energy: 1.4027607568314
Energy: 1.2839503524003932
Energy: 1.5046031078702058
Energy: 1.1725306098710273
Energy: 1.5046031078702058
Energy: 1.2839503524003932
Energy: 1.5046031078702058
Energy: 1.1519760702947068
Energy: 1.5014509334551287
Energy: 1.1611681499932038
Energy: 1.5014509334562178
Energy: 1.1519760702947068
Energy: 1.5014509334573067
Energy: 1.1682019192904953
Energy: 1.375587867538741
Energy: 1.3057822747147176
Energy: 1.375587867538741
Energy: 1.1682019192894066
Energy: 1.37558786753983
Energy: 1.232323079970854
Energy: 1.479928914259983
Energy: 1.2304454638642968
Energy: 1.4799289142632495
Energy: 1.232323079970854
Energy: 1.479928914262161

minimum gb energy = 1.1461411588390993 eV
minimum distance =  2.25530540461228 Angstroms
sigma value = 41


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

Energy: 1.5730504818061117
Energy: 1.394708889309036
Energy: 1.3677017427056215
Energy: 1.394708889309036
Energy: 1.5730504817880893
Energy: 1.394708889309036
Energy: 1.0450737859531913
Energy: 1.2600193982990666
Energy: 1.0426771176939864
Energy: 1.2600193982990666
Energy: 1.0450737857335675
Energy: 1.2600193982990666
Energy: 1.0891787259678158
Energy: 1.3568482223107485
Energy: 1.0677750806192057
Energy: 1.3568482223107485
Energy: 1.0891787259678158
Energy: 1.3568482223098903
Energy: 1.0519663495610179
Energy: 1.2286003028526893
Energy: 1.0426718008246578
Energy: 1.2286003028526893
Energy: 1.0519663495670253
Energy: 1.2286003028535473
Energy: 1.0869762616083087
Energy: 1.227440707161063
Energy: 1.05771567465218
Energy: 1.2274407071619213
Energy: 1.0869762616091672
Energy: 1.2274407071619213
Energy: 1.0582928383709094
Energy: 1.338645453818263
Energy: 1.0429382023238027
Energy: 1.338645453818263
Energy: 1.0582928383700512
Energy: 1.338645453818263
Energy: 1.0508431920670804
Energy: 1.3451571209519189
Energy: 1.0422301698115521
Energy: 1.3451571209510607
Energy: 1.0508431920662222
Energy: 1.3451571209519189
Energy: 1.1071363880357248
Energy: 1.3447758341081149
Energy: 1.0595902720702652
Energy: 1.3447758341081149
Energy: 1.107136388036583
Energy: 1.3447758341081149
Energy: 1.0794994233488022
Energy: 1.0422178134894418
Energy: 1.1314221280623398
Energy: 1.042233054546967
Energy: 1.0794994233488022
Energy: 1.0422325564436168
Energy: 1.0660538438397122
Energy: 1.4167059421013983
Energy: 1.0478665614471832
Energy: 1.4167059421022565
Energy: 1.0660538438379956
Energy: 1.4167059421022565
Energy: 1.1132682437496684
Energy: 1.4170021978647855
Energy: 1.048434956660531
Energy: 1.4170021978647855
Energy: 1.1132682437496684
Energy: 1.4170021978639273
Energy: 1.057986790144879
Energy: 1.3873611961401406
Energy: 1.0589659831439686
Energy: 1.3873611961401406
Energy: 1.0579867901440208
Energy: 1.425700287858651
Energy: 1.0792536286041958
Energy: 1.339328811025865
Energy: 1.1283118061111623
Energy: 1.339328811025865
Energy: 1.0792536286041958
Energy: 1.3393288110267232
Energy: 1.0442062047074385
Energy: 1.3446000946690049
Energy: 1.0432111775261836
Energy: 1.344600094669863
Energy: 1.0442062047074385
Energy: 1.344600094669863
Energy: 1.058061108337352
Energy: 1.338901121004337
Energy: 1.0417718776329308
Energy: 1.338901121004337
Energy: 1.05806110833821
Energy: 1.338901121004337
Energy: 1.0425263781533143
Energy: 1.3650834502838933
Energy: 1.0431922620084042
Energy: 1.3650834502838933
Energy: 1.0425263781533143
Energy: 1.3650834502838933
Energy: 1.0434284791816293
Energy: 1.3637804216755118
Energy: 1.0582435010371023
Energy: 1.36378042167637
Energy: 1.0434284791824877
Energy: 1.36378042167637
Energy: 1.0559443006197176
Energy: 1.3447149163104741
Energy: 1.060309198203376
Energy: 1.344714916309616
Energy: 1.0559443006197176
Energy: 1.344714916309616
Energy: 1.0417414758500532
Energy: 1.2608810997717301
Energy: 1.0419018094350123
Energy: 1.2608810997717301
Energy: 1.041741475840613
Energy: 1.2608810997717301
Energy: 1.0576080255150975
Energy: 1.3650054795590092
Energy: 1.1143804525354348
Energy: 1.3650054795590092
Energy: 1.057608025303237
Energy: 1.3650054795598674
Energy: 1.0470455509608263
Energy: 1.260197047950223
Energy: 1.0496694356809841
Energy: 1.260197047950223
Energy: 1.0470455509625427
Energy: 1.260197047950223
Energy: 1.0551705562724973
Energy: 1.3446951593862717
Energy: 1.0605102135353124
Energy: 1.3446951593862717
Energy: 1.0551705562724973
Energy: 1.3446951593862717
Energy: 1.0555827238291102
Energy: 1.227931994691416
Energy: 1.0417861152496728
Energy: 1.2279319946905578
Energy: 1.055582723828252
Energy: 1.2279319946905578
Energy: 1.0417034868350183
Energy: 1.2885330572749263
Energy: 1.0594524432162002
Energy: 1.2885330572749263
Energy: 1.041703486837593
Energy: 1.2885330572757847
Energy: 1.057906771403774
Energy: 1.3384956178045089
Energy: 1.0411475482428267
Energy: 1.3384956178045089
Energy: 1.057906771403774
Energy: 1.3384956178045089
Energy: 1.0440326916030882
Energy: 1.2883875374201503
Energy: 1.0430805041612108
Energy: 1.2883875374201503
Energy: 1.04403269160223
Energy: 1.288387537418434
Energy: 1.1067391002885947
Energy: 1.3445342942331675
Energy: 1.0554530106516198
Energy: 1.3445342942340262
Energy: 1.1067391002885947
Energy: 1.3445342942331675
Energy: 1.0579785496307414
Energy: 1.3284242825508064
Energy: 1.0781965719803064
Energy: 1.3284242825508064
Energy: 1.0579785496307414
Energy: 1.3284242825508064
Energy: 1.0581301404737353
Energy: 1.344394002937708
Energy: 1.0473256310463648
Energy: 1.344394002937708
Energy: 1.0581301404737353
Energy: 1.344394002937708
Energy: 1.0449879162071223
Energy: 1.3407552353158896
Energy: 1.0567656505965901
Energy: 1.3407552353158896
Energy: 1.0449879162071223
Energy: 1.3407552353158896
Energy: 1.0602804303859594
Energy: 1.3444982260861398
Energy: 1.0553205252557023
Energy: 1.3444982260861398
Energy: 1.0602804303859594
Energy: 1.3444982260869978
Energy: 1.0579531528364143
Energy: 1.42008959417066
Energy: 1.0444158985265555
Energy: 1.4200895941698017
Energy: 1.0579531528364143
Energy: 1.4200895941698017
Energy: 1.0420450669553942
Energy: 1.3442983223526197
Energy: 1.041586305710051
Energy: 1.3442983223526197
Energy: 1.0420450669553942
Energy: 1.3442983223534781

minimum gb energy = 1.0411475482428267 eV
minimum distance =  2.27873085930066 Angstroms
sigma value = 33


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

Energy: 1.3579589562453964
Energy: 1.172861492757718
Energy: 1.2304328310174732
Energy: 1.17286149275832
Energy: 1.357958956244794
Energy: 1.17286149275832
Energy: 1.6849429045218969
Energy: 1.0600179828769116
Energy: 0.9124847550694499
Energy: 1.0600179828769116
Energy: 1.684942904522499
Energy: 1.0600179828775138
Energy: 1.3331669855005555
Energy: 1.1724945129937718
Energy: 1.0715105487568088
Energy: 1.1724945129931696
Energy: 1.3331669854999535
Energy: 1.1724945129937718
Energy: 1.542363839978549
Energy: 1.0449990823920963
Energy: 0.9124099022163754
Energy: 1.0449990823920963
Energy: 1.542363839978549
Energy: 1.0449990823920963
Energy: 0.9413999510852741
Energy: 1.1857421696713006
Energy: 0.9231194786961779
Energy: 1.1857421696706987
Energy: 0.9413999510852741
Energy: 1.1857421696713006
Energy: 1.3957257615859417
Energy: 1.1341160244248294
Energy: 0.9134938914790659
Energy: 1.134116024426034
Energy: 1.3957257615859417
Energy: 1.1341160244254318
Energy: 0.9304371607690173
Energy: 1.1712652899871436
Energy: 0.9152159878549571
Energy: 1.1712652899865412
Energy: 0.9304371607690173
Energy: 1.1712652899865412
Energy: 1.2688073255569479
Energy: 1.1340163040699665
Energy: 0.9183811889370126
Energy: 1.1340163040699665
Energy: 1.26880732555755
Energy: 1.1340163040699665
Energy: 0.9111265461834236
Energy: 1.1601455963016907
Energy: 1.1313441347220388
Energy: 1.1601455963004859
Energy: 0.9111265461828212
Energy: 1.160145596301088
Energy: 1.1461196963862246
Energy: 1.1546467165818266
Energy: 1.2978209921553785
Energy: 1.1546467165818266
Energy: 1.1461196963856222
Energy: 1.154646716582429
Energy: 0.9151117848178707
Energy: 1.1729197172497436
Energy: 1.144243764964752
Energy: 1.172919717250346
Energy: 0.9151117848184729
Energy: 1.172919717250346
Energy: 1.41246392789811
Energy: 1.202849436679633
Energy: 1.3134176592924325
Energy: 1.2028494366802354
Energy: 1.4124639278975075
Energy: 1.2028494366802354
Energy: 1.1481431043588002
Energy: 1.1512915281489884
Energy: 1.343160368072759
Energy: 1.1512915281483862
Energy: 1.1481431043581976
Energy: 1.1512915281489884
Energy: 1.1458547777099373
Energy: 1.211699526250662
Energy: 1.4187895977442617
Energy: 1.211699526250662
Energy: 1.1458547777099373
Energy: 1.211699526250662
Energy: 1.1535940234761455
Energy: 1.1917048352840913
Energy: 1.4196758670468637
Energy: 1.1917048352840913
Energy: 1.1535940234767479
Energy: 1.1917048352852961
Energy: 1.1492924056320144
Energy: 1.1680178716546474
Energy: 1.3140463228348347
Energy: 1.1680178716540452
Energy: 1.1492924056326166
Energy: 1.1680178716540452
Energy: 1.1454874975122586
Energy: 1.206818060916485
Energy: 1.279545814967044
Energy: 1.2068180609176893
Energy: 1.1454874975122586
Energy: 1.2068180609176893
Energy: 0.9077531719379863
Energy: 1.168126205039307
Energy: 1.2981313557705856
Energy: 1.1681262050399095
Energy: 0.9077531719379863
Energy: 1.1681262050399095
Energy: 1.14360167332085
Energy: 1.1506772693719292
Energy: 1.1418677712439935
Energy: 1.1506772693719292
Energy: 1.1436016733196452
Energy: 1.1506772693719292
Energy: 0.907088675016264
Energy: 1.16803780901846
Energy: 0.9170978953722803
Energy: 1.1680378090178578
Energy: 0.907088675016264
Energy: 1.1680378090178578
Energy: 1.1373997760624346
Energy: 1.1501757766918097
Energy: 1.1335133390824055
Energy: 1.1501757766924119
Energy: 1.1373997760618324
Energy: 1.1501757766924119
Energy: 0.92253936733536
Energy: 1.1679858509230836
Energy: 0.9131893480030049
Energy: 1.1679858509230836
Energy: 0.92253936733536
Energy: 1.1679858509230836
Energy: 1.4042205878326115
Energy: 1.1611826822820759
Energy: 0.9112109326625617
Energy: 1.1611826822826778
Energy: 1.4042205878332141
Energy: 1.1611826822826778
Energy: 0.9358453196719914
Energy: 1.1678535296674564
Energy: 0.9120807748460725
Energy: 1.1678535296674564
Energy: 0.9358453196719914
Energy: 1.1678535296674564
Energy: 1.411586644786126
Energy: 1.176650511956788
Energy: 1.1210949809730197
Energy: 1.1766505119561859
Energy: 1.411586644786126
Energy: 1.1766505119561859
Energy: 1.3131061603698722
Energy: 1.168184882121968
Energy: 0.9214005555912027
Energy: 1.168184882121968
Energy: 1.3131061603704743
Energy: 1.1681848821225702
Energy: 1.6912400275990815
Energy: 1.0999007703520116
Energy: 0.9115219621235666
Energy: 1.0999007703520116
Energy: 1.6912400276050499
Energy: 1.0999007703520116
Energy: 1.3306058063837154
Energy: 1.168305824364689
Energy: 1.226704131536804
Energy: 1.168305824364689
Energy: 1.3306058063825108
Energy: 1.168305824364689
Energy: 1.54649329371715
Energy: 1.1629747629200944
Energy: 1.0229378920188752
Energy: 1.1629747629206968
Energy: 1.5464932937177522
Energy: 1.1629747629200944
Energy: 1.308390025606961
Energy: 1.1681916713285825
Energy: 1.1652816978662721
Energy: 1.1681916713285825
Energy: 1.308390025606961
Energy: 1.1681916713291847
Energy: 1.5394918837427387
Energy: 1.0472565139928134
Energy: 0.9075645491349308
Energy: 1.0472565139934156
Energy: 1.5394918837415341
Energy: 1.0472565139928134
Energy: 0.9353661476324457
Energy: 1.1544933424221964
Energy: 1.1432366113648122
Energy: 1.1544933424221964
Energy: 0.9353661476318436
Energy: 1.1544933424221964
Energy: 1.272303065703613
Energy: 1.1341223047319298
Energy: 0.9068584693554487
Energy: 1.1341223047313276
Energy: 1.272303065703613
Energy: 1.1341223047313276
Energy: 0.9220665704591691
Energy: 1.1343067225930283
Energy: 1.2778210711521614
Energy: 1.1343067225936307
Energy: 0.9220665704591691
Energy: 1.1343067225936307
Energy: 1.277893567643517
Energy: 1.1341427324355955
Energy: 0.9223299577279128
Energy: 1.134142732436198
Energy: 1.277893567643517
Energy: 1.134142732436198
Energy: 0.9066156289082067
Energy: 1.13435202891103
Energy: 1.2698685340359688
Energy: 1.1343520289104279
Energy: 0.9066156289088091
Energy: 1.1343520289104279
Energy: 1.1429654213132077
Energy: 1.1549366707690716
Energy: 0.9352678024163207
Energy: 1.1549366707690716
Energy: 1.1429654213138096
Energy: 1.1549366707690716
Energy: 0.9079068016942625
Energy: 1.046560167909988
Energy: 1.5395460779323165
Energy: 1.0465601679081808
Energy: 0.9079068016948648
Energy: 1.0465601679087835
Energy: 1.1652816978638627
Energy: 1.1681886511463275
Energy: 1.3081905894560997
Energy: 1.1681886511463275
Energy: 1.1652816978638627
Energy: 1.1681886511463275
Energy: 1.1494914282007587
Energy: 1.1626510512131611
Energy: 1.5466005390275475
Energy: 1.1626510512131611
Energy: 1.149491428201361
Energy: 1.1626510512131611
Energy: 1.2272140043968165
Energy: 1.1680323657879756
Energy: 1.330503268478335
Energy: 1.168032365788578
Energy: 1.2272140043968165
Energy: 1.1680323657879756
Energy: 0.9114032015139699
Energy: 1.094176662415114
Energy: 1.6905817535904002
Energy: 1.0941766623844513
Energy: 0.9114032015139699
Energy: 1.0941766625361213
Energy: 0.9213605867905325
Energy: 1.1682007135891852
Energy: 1.324676402227868
Energy: 1.168200713588583
Energy: 0.92136058678993
Energy: 1.168200713588583
Energy: 1.2168896775462454
Energy: 1.175276432345072
Energy: 1.401511702080034
Energy: 1.175276432345072
Energy: 1.2168896775462454
Energy: 1.175276432345072
Energy: 0.9122825795395161
Energy: 1.1681334023801784
Energy: 0.9359236289269991
Energy: 1.1681334023801784
Energy: 0.9122825795395161
Energy: 1.1681334023801784
Energy: 0.9112567614418514
Energy: 1.1611826822826778
Energy: 1.4041713514112018
Energy: 1.1611826822826778
Energy: 0.9112567614418514
Energy: 1.1611826822820759
Energy: 0.9128305225676117
Energy: 1.1683518817219865
Energy: 0.9222826289881573
Energy: 1.1683518817225889
Energy: 0.9128305225682137
Energy: 1.1683518817219865

minimum gb energy = 0.9066156289082067 eV
minimum distance =  2.28848141668415 Angstroms
sigma value = 67


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

Energy: 0.3434542375011103
Energy: 0.2604222048675147
Energy: 1.01791714406997
Energy: 0.260422204867103
Energy: 0.3434542375011103
Energy: 0.260422204867103
Energy: 0.24584952719183475
Energy: 0.7072524964301614
Energy: 0.5855413784355702
Energy: 0.7072524964305731
Energy: 0.24584952719183475
Energy: 0.7072524964301614
Energy: 0.3434542375011103
Energy: 0.2604222048675147
Energy: 1.0179171275367176
Energy: 0.2604222048675147
Energy: 0.3434542375011103
Energy: 0.2604222048675147
Energy: 0.24584952719183475
Energy: 0.7072524964301614
Energy: 0.5855413784355702
Energy: 0.7072524964301614
Energy: 0.24584952719224643
Energy: 0.7072524964301614
Energy: 0.3434542375011103
Energy: 0.260422204867103
Energy: 1.5260895843199365
Energy: 0.260422204867103
Energy: 0.3434542375011103
Energy: 0.260422204867103
Energy: 0.24584952719183475
Energy: 0.7072524964305731
Energy: 0.5855413784351814
Energy: 0.7072524964301614
Energy: 0.24584952719224643
Energy: 0.7072524964305731
Energy: 0.3434542375011103
Energy: 0.260422204867103
Energy: 1.9727867412942823
Energy: 0.2604222048675147
Energy: 0.3434542375011103
Energy: 0.2604222048675147

minimum gb energy = 0.24584952719183475 eV
minimum distance =  2.42465393294384 Angstroms
sigma value = 3


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

Energy: 1.6506686452691182
Energy: 1.230070205063556
Energy: 1.3731579086933587
Energy: 1.230070205063556
Energy: 1.650668645269666
Energy: 1.230070205063556
Energy: 2.1344723206266947
Energy: 0.9340540555681485
Energy: 0.8878006012093352
Energy: 0.934054055567053
Energy: 2.1344723206266947
Energy: 0.9340540555676006
Energy: 1.4255424288752165
Energy: 1.210469759001228
Energy: 1.1490016193529426
Energy: 1.210469759001228
Energy: 1.4255424288549985
Energy: 1.2104697590001328
Energy: 1.7684269937838752
Energy: 1.0418994703606943
Energy: 0.8879186811569817
Energy: 1.1027693371276173
Energy: 1.76842699378278
Energy: 1.1027693371276173
Energy: 1.2536435787732012
Energy: 1.1808162923313377
Energy: 0.9783728083277066
Energy: 1.180816292332981
Energy: 1.2536435787403344
Energy: 1.1808162923324332
Energy: 1.5679661897017634
Energy: 1.1362992346071659
Energy: 0.9080371440804295
Energy: 1.1362992346060703
Energy: 1.5679661897017634
Energy: 1.1362992346060703
Energy: 1.0734238992733753
Energy: 1.1771258894339416
Energy: 0.8693195821959978
Energy: 1.1771258894333938
Energy: 1.0734238992733753
Energy: 1.177125889432846
Energy: 1.3632022629099374
Energy: 1.154463404717835
Energy: 0.9128288044302381
Energy: 1.1544634047183826
Energy: 1.363202262911033
Energy: 1.1544634047140003
Energy: 0.9207102751328204
Energy: 1.1298281295000427
Energy: 1.1185237198043305
Energy: 1.1298281294304744
Energy: 0.9207102751328204
Energy: 1.1298281290592773
Energy: 1.1951502478733802
Energy: 1.173347686828383
Energy: 1.2259522544879549
Energy: 1.173347686828383
Energy: 1.1951502478733802
Energy: 1.173347686828931
Energy: 0.9172166513464729
Energy: 1.1565371034855076
Energy: 1.3793800669991192
Energy: 1.1565371034855076
Energy: 0.9172166513453774
Energy: 1.1565371034855076
Energy: 1.2031955947994835
Energy: 1.183247834226369
Energy: 1.2413373344650667
Energy: 1.186100741421102
Energy: 1.2031955947989357
Energy: 1.1861007414205544
Energy: 0.8955620312841699
Energy: 1.0308928052769366
Energy: 1.731866986361794
Energy: 1.0308928005796052
Energy: 0.8955620312825265
Energy: 1.0308928005199467
Energy: 1.224623890483518
Energy: 1.1925835869990737
Energy: 1.5809053851199348
Energy: 1.192583586998526
Energy: 1.224623890483518
Energy: 1.192583586998526
Energy: 1.0486463815567715
Energy: 1.1551813596646323
Energy: 1.7641472803751153
Energy: 1.1551813596646323
Energy: 1.0486463815573195
Energy: 1.1551813596646323
Energy: 0.8975310002601953
Energy: 1.1942703261961574
Energy: 1.6099297027329385
Energy: 1.1942703261956098
Energy: 0.8975310002596475
Energy: 1.1933403048522622
Energy: 0.8958980498066491
Energy: 1.1657104579738016
Energy: 1.9278924588651902
Energy: 1.1657104579738016
Energy: 0.895898049807197
Energy: 1.1657104579732536
Energy: 0.891919685957778
Energy: 1.1926292087139065
Energy: 1.5806226579533027
Energy: 1.1926292087133588
Energy: 0.8919196859572301
Energy: 1.1926292087139065
Energy: 0.9944524594736744
Energy: 1.1818818460748128
Energy: 1.5564678170680575
Energy: 1.181881846074265
Energy: 0.9944524594731267
Energy: 1.1818818460748128
Energy: 0.9115856932327883
Energy: 1.178297195690547
Energy: 1.2415717981979857
Energy: 1.1782971956894515
Energy: 0.9115856932322405
Energy: 1.1792423952207611
Energy: 0.9144139639094407
Energy: 1.1895652782004382
Energy: 1.5407443016154605
Energy: 1.1895652782015338
Energy: 0.9144139639094407
Energy: 1.1895652782004382
Energy: 0.9163046174004372
Energy: 1.176977339601044
Energy: 1.22806975658519
Energy: 1.176977339600496
Energy: 0.916304617400985
Energy: 1.176977339601044
Energy: 1.214280674629434
Energy: 1.1777246187154433
Energy: 1.196880367184579
Energy: 1.1777246187154433
Energy: 1.2142806746288861
Energy: 1.1777246187154433
Energy: 1.2213222896111813
Energy: 1.1778567353469431
Energy: 0.9129583367267238
Energy: 1.177856735347491
Energy: 1.221322289609538
Energy: 1.1778567353469431
Energy: 1.2202522771455102
Energy: 1.1911477466677374
Energy: 1.2015745838604037
Energy: 1.1911477466671894
Energy: 1.2202522771449622
Energy: 1.1911477466666416
Energy: 1.2389258263788911
Energy: 1.1773239836041642
Energy: 0.9081857951066186
Energy: 1.1773239836041642
Energy: 1.2389258263788911
Energy: 1.1773239836041642
Energy: 1.5659249813967826
Energy: 1.1855880522374254
Energy: 0.8748871573374988
Energy: 1.1855880522368776
Energy: 1.5659249813973306
Energy: 1.1855880522368776
Energy: 1.59008315458987
Energy: 1.1948665971589836
Energy: 0.8878411497507458
Energy: 1.1936295481053394
Energy: 1.5900831545893221
Energy: 1.1936295481053394
Energy: 1.5854820575102386
Energy: 1.180562963324032
Energy: 1.2300978428865348
Energy: 1.1805629633229366
Energy: 1.5854820575102386
Energy: 1.1805629633229366
Energy: 1.6196691377018675
Energy: 1.1872060481897024
Energy: 0.8933344652606381
Energy: 1.1872060481891549
Energy: 1.6196691377013197
Energy: 1.1872060481891549
Energy: 1.930383747224749
Energy: 1.1873090630596785
Energy: 0.895189915149827
Energy: 1.1873090630596785
Energy: 1.9303837472242014
Energy: 1.1873090630596785
Energy: 1.5896849926170644
Energy: 1.190638300445695
Energy: 1.2267430824611607
Energy: 1.1906383004467906
Energy: 1.58968499261816
Energy: 1.1906383004467906
Energy: 1.5860575084763053
Energy: 1.1547592185747784
Energy: 0.8898495227331439
Energy: 1.1547592185747784
Energy: 1.5860575084763053
Energy: 1.1547592185747784
Energy: 1.2384426107728892
Energy: 1.1845440647975325
Energy: 0.8712923375358455
Energy: 1.1845440647980807
Energy: 1.2384426107739848
Energy: 1.1845440647980807
Energy: 1.566269772528658
Energy: 1.1783863322974597
Energy: 0.9109813620158514
Energy: 1.1783863322980077
Energy: 1.566269772528658
Energy: 1.1783863322980077
Energy: 1.2207458665636017
Energy: 1.1725735381545304
Energy: 1.1967350469327407
Energy: 1.1725735381550784
Energy: 1.2207458665636017
Energy: 1.1725735381550784
Energy: 1.220575837817498
Energy: 1.1547290436116044
Energy: 0.9153673141513234
Energy: 1.1547290436121522
Energy: 1.220575837817498
Energy: 1.1547290436121522
Energy: 0.915567135534951
Energy: 1.1780844273082283
Energy: 1.1929380697747831
Energy: 1.1780844273093238
Energy: 0.915567135534403
Energy: 1.1780844273093238
Energy: 1.2143148199951987
Energy: 1.1786713263328548
Energy: 1.2303024228088195
Energy: 1.1786713263323068
Energy: 1.2143148199951987
Energy: 1.1786713263323068
Energy: 0.9108355009546775
Energy: 1.136238492403161
Energy: 1.5383498804055022
Energy: 1.1362384924026134
Energy: 0.9108355009552251
Energy: 1.1362384924037092
Energy: 0.9138240841684084
Energy: 1.1793830556898024
Energy: 1.2458609063743644
Energy: 1.1793830556892542
Energy: 0.9138240841684084
Energy: 1.1793830556898024
Energy: 0.8911869348798069
Energy: 1.159288939417042
Energy: 1.5467688304628358
Energy: 1.159288939415947
Energy: 0.8911869348803547
Energy: 1.159288939415947
Energy: 0.9209093671937102
Energy: 1.1960345885378263
Energy: 1.5802303960904913
Energy: 1.1960345885383745
Energy: 0.9209093671937102
Energy: 1.1960345885383745
Energy: 0.8923144901944947
Energy: 1.137656867363122
Energy: 1.7419607604386607
Energy: 1.1376568666348703
Energy: 0.8923144901944947
Energy: 1.1376568674375704
Energy: 0.8969473125605432
Energy: 1.2143015283110608
Energy: 1.610228745281343
Energy: 1.2143015283121563
Energy: 0.8969473125594475
Energy: 1.2143015283116085
Energy: 0.8908598554542037
Energy: 1.0422787976982126
Energy: 1.759488553153447
Energy: 1.042278797697665
Energy: 0.890859855455847
Energy: 1.0422787976982126
Energy: 0.881963767787091
Energy: 1.195137022077326
Energy: 1.5808078045992122
Energy: 1.1951370220778736
Energy: 0.881963767787091
Energy: 1.1951370220778736
Energy: 0.8927037145674134
Energy: 0.9159566069330706
Energy: 1.7279841042856496
Energy: 0.9159566069330706
Energy: 0.8927037145652222
Energy: 0.9159566069330706
Energy: 0.8674517985545719
Energy: 1.1793637640571435
Energy: 1.244878953273415
Energy: 1.179363764056048
Energy: 0.8674517985540242
Energy: 1.1793637640565957
Energy: 0.9138715510884243
Energy: 1.1347423339332254
Energy: 1.2014442644807393
Energy: 1.1347423339354166
Energy: 0.9138715510878765
Energy: 1.134742333929391
Energy: 1.1900692491743172
Energy: 1.1740965225196065
Energy: 1.2309804907543804
Energy: 1.1740965225207018
Energy: 1.1900692491737694
Energy: 1.174096522520154

minimum gb energy = 0.8674517985540242 eV
minimum distance =  2.27366771859972 Angstroms
sigma value = 81


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

Energy: 1.7068434488272033
Energy: 1.4534467643398803
Energy: 1.5255606127087729
Energy: 1.4534467643398803
Energy: 1.706843448828707
Energy: 1.4534467643398803
Energy: 1.9569950899627582
Energy: 1.0655861732237746
Energy: 1.00281887813541
Energy: 1.0655861732245266
Energy: 1.9569950899627582
Energy: 1.0655861732245266
Energy: 1.6589962524370592
Energy: 1.3866856809248964
Energy: 1.2346357941703072
Energy: 1.3866856809233925
Energy: 1.6589962524370592
Energy: 1.3866856809241446
Energy: 1.5711581268700727
Energy: 1.1225677992377827
Energy: 1.0180022258101906
Energy: 1.1225677992377827
Energy: 1.5711581268700727
Energy: 1.1225677992377827
Energy: 1.1955269583714359
Energy: 1.3421880984331234
Energy: 0.9847679209370884
Energy: 1.3421880984331234
Energy: 1.1955269583782022
Energy: 1.342188098434627
Energy: 1.3353228252061378
Energy: 1.3470332350961833
Energy: 1.1429494554111244
Energy: 1.3470332350946799
Energy: 1.3353228252061378
Energy: 1.3470332350946799
Energy: 1.1412632612925193
Energy: 1.3348590181827944
Energy: 1.0986630465254343
Energy: 1.3348590181835462
Energy: 1.141263261294023
Energy: 1.3348590181805389
Energy: 1.0978994593057805
Energy: 1.3475383116955602
Energy: 1.1681864443081256
Energy: 1.3475383116955602
Energy: 1.0978994593057805
Energy: 1.347538311696312
Energy: 1.020651826413848
Energy: 1.251310125540598
Energy: 1.4586700317221175
Energy: 1.2513101255421017
Energy: 1.0206518264130964
Energy: 1.251310125540598
Energy: 1.1285298315199326
Energy: 1.3741230177443138
Energy: 1.6122728469754597
Energy: 1.3741230177450656
Energy: 1.1285298315199326
Energy: 1.3741230177450656
Energy: 1.008074597119118
Energy: 1.2822022225956773
Energy: 1.7115747908167422
Energy: 1.2822022225949257
Energy: 1.00807459711987
Energy: 1.2822022225949257
Energy: 0.9939059436285997
Energy: 1.3820375406424033
Energy: 1.5297159766117967
Energy: 1.3820375406424033
Energy: 0.9939059436285997
Energy: 1.3820375406424033
Energy: 1.0310763292762373
Energy: 1.280548478126637
Energy: 1.716077300041071
Energy: 1.280548478126637
Energy: 1.0310763292762373
Energy: 1.280548478126637
Energy: 1.1477403486075817
Energy: 1.37418063283842
Energy: 1.609525727510483
Energy: 1.3741806328376682
Energy: 1.1477403486075817
Energy: 1.3741806328376682
Energy: 1.1478592669051646
Energy: 1.2930418623709732
Energy: 1.597135073152806
Energy: 1.2930418623702213
Energy: 1.1478592669051646
Energy: 1.2930418623702213
Energy: 1.1447944923198519
Energy: 1.3663330561233493
Energy: 1.1685822346038977
Energy: 1.3663330561233493
Energy: 1.1447944923198519
Energy: 1.3663330561233493
Energy: 1.14416834697269
Energy: 1.3428397666448753
Energy: 1.4533652885035102
Energy: 1.3428397666463792
Energy: 1.14416834697269
Energy: 1.3428397666456273
Energy: 1.5839472216335002
Energy: 1.3520970225854996
Energy: 1.143143833354723
Energy: 1.3520970225847475
Energy: 1.5839472216327484
Energy: 1.3520970225854996
Energy: 1.5838770341298927
Energy: 1.3563920005761794
Energy: 1.0975230962602973
Energy: 1.3563920005761794
Energy: 1.5838770341306447
Energy: 1.3563920005761794
Energy: 1.613639332108471
Energy: 1.3552849573684578
Energy: 1.0184926813982935
Energy: 1.3552849573677062
Energy: 1.613639332107719
Energy: 1.3552849573677062
Energy: 1.6128052986304362
Energy: 1.36680510317446
Energy: 1.2229130839052391
Energy: 1.3668051031752118
Energy: 1.6128052986296841
Energy: 1.3668051031752118
Energy: 1.6021242792347186
Energy: 1.282043684632784
Energy: 1.0202266538807703
Energy: 1.2820436846335361
Energy: 1.6021242792256967
Energy: 1.282043684632784
Energy: 1.615606805237932
Energy: 1.3427174254746477
Energy: 1.0085723983770656
Energy: 1.3427174254753997
Energy: 1.615606805237932
Energy: 1.3427174254753997
Energy: 1.6127888025375052
Energy: 1.3654751450341716
Energy: 1.247452121708496
Energy: 1.36547514503342
Energy: 1.6127888025375052
Energy: 1.36547514503342
Energy: 1.609123082279194
Energy: 1.3603520819513033
Energy: 1.0079542780578903
Energy: 1.3603520819505515
Energy: 1.6091230822776903
Energy: 1.3603520819505515
Energy: 1.5807237840951422
Energy: 1.3662372236783173
Energy: 1.0970848318093447
Energy: 1.3662372236805729
Energy: 1.5807237840951422
Energy: 1.3662372236805729
Energy: 1.3640327322526247
Energy: 1.3419055059845475
Energy: 1.1432781873775788
Energy: 1.3419055059837957
Energy: 1.3640327322533765
Energy: 1.3419055059837957
Energy: 1.1439152092298337
Energy: 1.3427521291856326
Energy: 1.3278412311021628
Energy: 1.3427521291863844
Energy: 1.1439152092298337
Energy: 1.3427521291863844
Energy: 1.1451471190343876
Energy: 1.355275904149853
Energy: 1.168859321471187
Energy: 1.3552759041491012
Energy: 1.1451471190343876
Energy: 1.355275904149853
Energy: 1.147521528135188
Energy: 1.293041862371725
Energy: 1.5744983316052106
Energy: 1.2930418623709732
Energy: 1.1475215281344362
Energy: 1.2930418623702213
Energy: 1.1478223630371367
Energy: 1.3706664555368038
Energy: 1.6133101631587619
Energy: 1.370666455536052
Energy: 1.1478223630363849
Energy: 1.370666455536052
Energy: 1.03247217485357
Energy: 1.345943158790916
Energy: 1.7179432631101121
Energy: 1.345943158790916
Energy: 1.03247217485357
Energy: 1.3459431587901642
Energy: 1.0206483969962
Energy: 1.3820020973248044
Energy: 1.5296801588875406
Energy: 1.382002097325556
Energy: 1.0206483969962
Energy: 1.3820020973263079
Energy: 1.0364877776864307
Energy: 1.0973076512798166
Energy: 1.7162532242353084
Energy: 1.0973076512813202
Energy: 1.0364877776856791
Energy: 1.0973076512813202
Energy: 1.1285298315206842
Energy: 1.3707421457835625
Energy: 1.6118445605517164
Energy: 1.3707421457843143
Energy: 1.1285298315206842
Energy: 1.3707421457843143
Energy: 1.0355832846583484
Energy: 1.1676689697789637
Energy: 1.3736143577603037
Energy: 1.1676689697774603
Energy: 1.0355832846591002
Energy: 1.1676689697789637
Energy: 1.0979439730217768
Energy: 1.3423700362302446
Energy: 1.1688376814107604
Energy: 1.3423700362294928
Energy: 1.0979439730217768
Energy: 1.3423700362294928
Energy: 1.1732506382245547
Energy: 1.3482884590738522
Energy: 1.0989008495958819
Energy: 1.3482884590731004
Energy: 1.1732506382245547
Energy: 1.348288459074604

minimum gb energy = 0.9847679209370884 eV
minimum distance =  2.26947625214146 Angstroms
sigma value = 43


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

Energy: 1.7467918309011847
Energy: 1.5754304631141611
Energy: 1.2799722837237146
Energy: 1.5754304631141611
Energy: 1.7467918309011847
Energy: 1.5754304631141611
Energy: 1.9666243344389638
Energy: 1.2002821283199017
Energy: 1.0849107387244965
Energy: 1.2002821283199017
Energy: 1.9666243344389638
Energy: 1.2002821283199017
Energy: 1.1580186292560983
Energy: 1.4466264965347588
Energy: 1.0578440159302425
Energy: 1.4466264965347588
Energy: 1.1580186292560983
Energy: 1.4466264965347588
Energy: 1.347335243011337
Energy: 1.1261401198387104
Energy: 1.0846491163637317
Energy: 1.1261401198387104
Energy: 1.347335243011337
Energy: 1.1261401198387104
Energy: 1.1103680378848055
Energy: 1.4555670938208296
Energy: 1.2434542527776222
Energy: 1.4555670938208296
Energy: 1.1103680378866316
Energy: 1.4555670938208296
Energy: 1.0572666046426373
Energy: 1.4812758247498887
Energy: 1.1106062174538558
Energy: 1.4812758247498887
Energy: 1.0572666046426373
Energy: 1.4812758247489652
Energy: 1.1124531717474546
Energy: 1.2629131764005879
Energy: 1.3634547595098694
Energy: 1.2629131765002817
Energy: 1.1124531717474546
Energy: 1.2629131764458175
Energy: 1.1193503965880995
Energy: 1.4698600417534653
Energy: 1.1535938699026187
Energy: 1.4698600417534653
Energy: 1.1193503965880995
Energy: 1.4698600417534653
Energy: 1.0933229978802896
Energy: 1.2771939679152862
Energy: 1.6460411198848817
Energy: 1.277193967874674
Energy: 1.0933229978802896
Energy: 1.277193968093455
Energy: 1.0938607791190826
Energy: 1.4906770898520474
Energy: 1.6944288769883278
Energy: 1.4906770898520474
Energy: 1.0938607791190826
Energy: 1.4906770898520474
Energy: 1.1129947790601007
Energy: 1.5037397221392297
Energy: 1.353967678841515
Energy: 1.5037397221392297
Energy: 1.1129947790601007
Energy: 1.5037397221392297
Energy: 1.1257845558689241
Energy: 1.4697396659667268
Energy: 1.1545046103977872
Energy: 1.4697396659658033
Energy: 1.1257845558689241
Energy: 1.4697396659658033
Energy: 1.1256195319462743
Energy: 1.060624952264614
Energy: 1.6556955584481972
Energy: 1.0606249522655375
Energy: 1.1256195319462743
Energy: 1.0606249522655375
Energy: 1.1094087184260453
Energy: 1.4908280999076067
Energy: 1.1109269901360461
Energy: 1.49082809990853
Energy: 1.1094087184251218
Energy: 1.49082809990853
Energy: 1.1096192596824166
Energy: 1.477328586661539
Energy: 1.0578977147651816
Energy: 1.477328586661539
Energy: 1.1096192596824166
Energy: 1.477328586661539
Energy: 1.6509138366573306
Energy: 1.2853110766946751
Energy: 1.0854717762318669
Energy: 1.2853110766946751
Energy: 1.6509138366564071
Energy: 1.2853110766937514
Energy: 1.649143318796439
Energy: 1.4649623812158994
Energy: 1.5445032347593015
Energy: 1.4649623812158994
Energy: 1.6491433187955153
Energy: 1.4649623812158994
Energy: 1.697820542949859
Energy: 1.4913007787820303
Energy: 1.093695433401885
Energy: 1.4913007787820303
Energy: 1.697820542949859
Energy: 1.4913007787820303
Energy: 1.6944164203530596
Energy: 1.4909570451530527
Energy: 1.0938388502505765
Energy: 1.4909570451530527
Energy: 1.6944164203530596
Energy: 1.4909570451539764
Energy: 1.649159632258589
Energy: 1.500611575158553
Energy: 1.0848474507152293
Energy: 1.500611575158553
Energy: 1.6491596322576656
Energy: 1.5006115751576294
Energy: 1.6549348616489703
Energy: 1.5075479671130139
Energy: 1.0854914448862993
Energy: 1.5075479671130139
Energy: 1.6549348616489703
Energy: 1.5075479671130139
Energy: 1.091173259118103
Energy: 1.476358897978101
Energy: 1.0594670136316005
Energy: 1.476358897978101
Energy: 1.091173259118103
Energy: 1.476358897978101
Energy: 1.112674917490529
Energy: 1.4902278469072237
Energy: 1.1101337036762358
Energy: 1.4902278469081263
Energy: 1.112674917490529
Energy: 1.4902278469081263
Energy: 1.0577745998428472
Energy: 1.4742952927532789
Energy: 1.059309971584746
Energy: 1.4742952927532789
Energy: 1.0577745998428472
Energy: 1.4742952927532789
Energy: 1.1283259436756408
Energy: 1.5077809926801395
Energy: 1.1540277081514505
Energy: 1.5077809926801395
Energy: 1.1283259436756408
Energy: 1.5077809926801395
Energy: 1.0849726997693656
Energy: 1.5036864917711055
Energy: 1.3539200026358515
Energy: 1.5036864917711055
Energy: 1.0849726997693656
Energy: 1.5036864917711055
Energy: 1.0936774623903822
Energy: 1.4905038123021745
Energy: 1.6949405776290136
Energy: 1.4905038123021745
Energy: 1.0936774623903822
Energy: 1.4905038123021745
Energy: 1.0937921374107096
Energy: 1.4906769917028508
Energy: 1.4082355271667861
Energy: 1.4906769917028508
Energy: 1.0937921374107096
Energy: 1.4906769917028508
Energy: 1.1222729656226202
Energy: 1.4699806781175957
Energy: 1.153392445707606
Energy: 1.4699806781175957
Energy: 1.1222729656226202
Energy: 1.4699806781175957
Energy: 1.0843598584419465
Energy: 1.262589464115773
Energy: 1.3632334135562176
Energy: 1.2625894659536054
Energy: 1.0843598584419465
Energy: 1.2625894552478374
Energy: 1.058878069182181
Energy: 1.4812335611850926
Energy: 1.1096053235185066
Energy: 1.4812335611850926
Energy: 1.058878069182181
Energy: 1.4812335611850926

minimum gb energy = 1.0572666046426373 eV
minimum distance =  2.25570911271498 Angstroms
sigma value = 57


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

Energy: 1.3021193515511587
Energy: 1.647014157195675
Energy: 1.8211933167908585
Energy: 1.6470141571968706
Energy: 1.3021193515511587
Energy: 1.647014157195675
Energy: 1.5777684603868394
Energy: 1.252247616448646
Energy: 1.199373934262489
Energy: 1.252247616448646
Energy: 1.5777684603856437
Energy: 1.252247616448646
Energy: 1.2476218793217912
Energy: 1.6505168449887828
Energy: 1.4600485707319868
Energy: 1.6505168449899787
Energy: 1.247621879322987
Energy: 1.6505168449887828
Energy: 1.1628843371803268
Energy: 1.2377644391079003
Energy: 1.1995193178254628
Energy: 1.2377644391067046
Energy: 1.1628843371803268
Energy: 1.2377644391079003
Energy: 1.2266559608447474
Energy: 1.2397635203898012
Energy: 1.381481847506608
Energy: 1.2397635203898012
Energy: 1.2266559608447474
Energy: 1.2397635203898012
Energy: 1.1641350670204509
Energy: 1.6591357628976897
Energy: 1.2261784507411955
Energy: 1.6591357628976897
Energy: 1.1641350670216464
Energy: 1.6591357628976897
Energy: 1.201775945653135
Energy: 1.4292586216830632
Energy: 1.5786190034403615
Energy: 1.4292586216830632
Energy: 1.201775945653135
Energy: 1.4292586216818675
Energy: 1.2036473343888625
Energy: 1.6679476833837605
Energy: 1.3010336044610753
Energy: 1.6679476833825921
Energy: 1.2036473343888625
Energy: 1.6679476833825921
Energy: 1.2266728566824525
Energy: 1.2479702212540464
Energy: 1.5755375095616209
Energy: 1.2479702212540464
Energy: 1.2266728566824525
Energy: 1.2479702212540464
Energy: 1.166823730418428
Energy: 1.6591722802273483
Energy: 1.2263912061500817
Energy: 1.6591722802273483
Energy: 1.166823730418428
Energy: 1.6591722802273483
Energy: 1.2381836936173058
Energy: 1.1641849040654841
Energy: 1.162781302292207
Energy: 1.1641849040666803
Energy: 1.2381836936173058
Energy: 1.1641849040654841
Energy: 1.1721685802741706
Energy: 1.4350399492933499
Energy: 1.2005826972278038
Energy: 1.4350399492933499
Energy: 1.1721685802741706
Energy: 1.435039949294546
Energy: 1.2271421152572235
Energy: 1.6752087352375642
Energy: 1.2421470427193584
Energy: 1.67520873523876
Energy: 1.2271421152572235
Energy: 1.6752087352375642
Energy: 1.5778454108623587
Energy: 1.4292291494359093
Energy: 1.2030803261300786
Energy: 1.4292291494359093
Energy: 1.5778454108647502
Energy: 1.4292291494359093
Energy: 1.1680629768741972
Energy: 1.6690613559952232
Energy: 1.2056708066261768
Energy: 1.6690613559952232
Energy: 1.1680629768741972
Energy: 1.6690613559952232
Energy: 1.1724389733766545
Energy: 1.6731107675617192
Energy: 1.2003515977310308
Energy: 1.6731107675617192
Energy: 1.1724389733766545
Energy: 1.6731107675617192
Energy: 1.2272183813169022
Energy: 1.6689030626574155
Energy: 1.2368160097171585
Energy: 1.6689030626574155
Energy: 1.2272183813157065
Energy: 1.6689030626574155
Energy: 1.1653536321043398
Energy: 1.4883493137852695
Energy: 1.1657778285260612
Energy: 1.4883493137852695
Energy: 1.1653536321043398
Energy: 1.4883493137828778
Energy: 1.2368025202659942
Energy: 1.6688835208743564
Energy: 1.227278569177756
Energy: 1.6688835208743564
Energy: 1.2368025202659942
Energy: 1.6688835208743564
Energy: 1.200367747155349
Energy: 1.6729219122205985
Energy: 1.1724484060186897
Energy: 1.6729219122205985
Energy: 1.200367747155349
Energy: 1.6729219122205985
Energy: 1.2055057233885977
Energy: 1.6692316757580254
Energy: 1.168078058214577
Energy: 1.6692316757580254
Energy: 1.2055057233885977
Energy: 1.6692316757580254
Energy: 1.2031542276887912
Energy: 1.4510981161816372
Energy: 1.578191397817425
Energy: 1.4510981161816372
Energy: 1.2031542276887912
Energy: 1.4510981161816372
Energy: 1.2247597175494294
Energy: 1.6754263182709386
Energy: 1.2271809697803548
Energy: 1.6754263182709386
Energy: 1.2247597175494294
Energy: 1.6754263182709386
Energy: 1.200936022029334
Energy: 1.434878715286134
Energy: 1.17251744101877
Energy: 1.43487871528733
Energy: 1.200936022029334
Energy: 1.434878715286134

minimum gb energy = 1.162781302292207 eV
minimum distance =  2.25581282717449 Angstroms
sigma value = 17


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

Energy: 1.4001529329595266
Energy: 1.397738505817109
Energy: 1.8209873100923282
Energy: 1.397738505817109
Energy: 1.4001529329595266
Energy: 1.397738505817109
Energy: 1.3225333436678186
Energy: 1.3252073050898205
Energy: 1.3540612877480633
Energy: 1.3252073050898205
Energy: 1.3225333436678186
Energy: 1.3252073050898205
Energy: 1.4125767708239045
Energy: 1.4007790476348352
Energy: 1.6451661264180344
Energy: 1.4007790476348352
Energy: 1.4125767708239045
Energy: 1.4007790476348352
Energy: 1.3151631831560247
Energy: 1.311432589608609
Energy: 1.3965075723139584
Energy: 1.311432589606918
Energy: 1.3151631831560247
Energy: 1.311432589608609
Energy: 1.3857048528120397
Energy: 1.3257250993133762
Energy: 1.5082232336217924
Energy: 1.3257250993133762
Energy: 1.3857048528120397
Energy: 1.3257250993133762
Energy: 1.3192117451877043
Energy: 1.3959116631593795
Energy: 1.3957296320311259
Energy: 1.3959116631593795
Energy: 1.3192117451877043
Energy: 1.3959116631593795
Energy: 1.3609506790310348
Energy: 1.4744871189582682
Energy: 1.3242878761212586
Energy: 1.4744871189582682
Energy: 1.3609506790310348
Energy: 1.4744871189565774
Energy: 1.309025484175086
Energy: 1.6633198649613212
Energy: 1.3111415786331422
Energy: 1.6633198649613212
Energy: 1.309025484175086
Energy: 1.6633198649613212
Energy: 1.3860698640328644
Energy: 1.3092649344750102
Energy: 1.365800229702772
Energy: 1.3092649344750102
Energy: 1.3860698640328644
Energy: 1.3092649344750102
Energy: 1.3568972064917288
Energy: 1.338178745702098
Energy: 1.3536167758493332
Energy: 1.338178745702098
Energy: 1.3568972064900378
Energy: 1.338178745702098
Energy: 1.3965503322248816
Energy: 1.8880165765223864
Energy: 1.349139521555193
Energy: 1.8880165765223864
Energy: 1.3965503322248816
Energy: 1.8880165765223864
Energy: 1.3087033980594533
Energy: 1.6270905877308792
Energy: 1.3514832160219012
Energy: 1.6270905877291881
Energy: 1.3087033980594533
Energy: 1.6270905877291881
Energy: 1.386774663906209
Energy: 1.6632568852926928
Energy: 1.3096881459336231
Energy: 1.6632568852926928
Energy: 1.386774663906209
Energy: 1.6632568852926928
Energy: 1.318128213296098
Energy: 1.309380192002711
Energy: 1.308572656061413
Energy: 1.309380192002711
Energy: 1.318128213296098
Energy: 1.309380192002711
Energy: 1.3563774038271443
Energy: 1.6272418715695987
Energy: 1.3561391988253906
Energy: 1.6272418715695987
Energy: 1.3563774038271443
Energy: 1.6272418715695987
Energy: 1.3518881774109688
Energy: 1.8854565768497649
Energy: 1.3800151508175007
Energy: 1.8854565768497649
Energy: 1.3518881774109688
Energy: 1.8854565768497649
Energy: 1.3215882119565578
Energy: 1.3104681154541962
Energy: 1.309123760909605
Energy: 1.3104681154541962
Energy: 1.3215882119565578
Energy: 1.3104681154541962

minimum gb energy = 1.308572656061413 eV
minimum distance =  2.28296616575474 Angstroms
sigma value = 17


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

Energy: 2.0003849698988594
Energy: 1.957865031694747
Energy: 1.7142708238830275
Energy: 1.9578650316940938
Energy: 2.0003849698975538
Energy: 1.9578650316940938
Energy: 1.6805131960399935
Energy: 1.3814377201820196
Energy: 1.4118502563536155
Energy: 1.3814377201826726
Energy: 1.6805131960380344
Energy: 1.3814377201826726
Energy: 1.3915672764084568
Energy: 1.4682789462624215
Energy: 1.4574822725950252
Energy: 1.4682789462617682
Energy: 1.3915672764091098
Energy: 1.4682789462630745
Energy: 1.4670813005137706
Energy: 1.7344079405405477
Energy: 1.509905032750558
Energy: 1.7344079405405477
Energy: 1.4670813005131178
Energy: 1.7344079405451185
Energy: 1.4032887045768487
Energy: 1.451404430273035
Energy: 1.7012519161566277
Energy: 1.451404430273035
Energy: 1.403288704576196
Energy: 1.451404430273035
Energy: 1.4503359025297566
Energy: 1.7474703583205045
Energy: 1.5355434602439533
Energy: 1.7474703583048323
Energy: 1.4503359025304097
Energy: 1.7474703583087505
Energy: 1.3621799083503099
Energy: 1.4465601991660704
Energy: 1.6709078058745597
Energy: 1.4465601991660704
Energy: 1.3621799083503099
Energy: 1.4465601991660704
Energy: 1.7498485221542193
Energy: 1.5530902958660653
Energy: 1.400179318496228
Energy: 1.5530902958673714
Energy: 1.7498485221548723
Energy: 1.5530902958621473
Energy: 1.5303542837678998
Energy: 1.736946327735689
Energy: 1.3878812409378225
Energy: 1.736946327734383
Energy: 1.530354283767247
Energy: 1.736946327734383
Energy: 1.8211025826598128
Energy: 1.4208572259863739
Energy: 1.377758701528029
Energy: 1.4208572259850676
Energy: 1.8211025826591598
Energy: 1.427073583361517
Energy: 1.5024214705228274
Energy: 1.8307835554145726
Energy: 1.4382101897052848
Energy: 1.8307835554145726
Energy: 1.5024214705221746
Energy: 1.8307835554145726
Energy: 1.3803757300294053
Energy: 1.729298065722878
Energy: 1.3884080186860226
Energy: 1.729298065723531
Energy: 1.380375730030058
Energy: 1.729298065722878
Energy: 1.4063328480109674
Energy: 1.5627906614386635
Energy: 1.9501509237600867
Energy: 1.5627906614360516
Energy: 1.4063328480109674
Energy: 1.5627906614321336
Energy: 1.3769127939904087
Energy: 1.9340643945392488
Energy: 1.9535382963186345
Energy: 1.9340643945392488
Energy: 1.3769127939904087
Energy: 1.9340643945392488
Energy: 1.3806197065077717
Energy: 1.8161334571572023
Energy: 1.437468772073921
Energy: 1.8161334571578553
Energy: 1.3806197065084247
Energy: 1.8161334571578553
Energy: 1.4508924005824133
Energy: 1.9181996352966242
Energy: 1.3893784403106184
Energy: 1.907159587443147
Energy: 1.4508924005824133
Energy: 1.9181996352966242
Energy: 1.4527250010033648
Energy: 1.7211578175722313
Energy: 1.3992761651775445
Energy: 1.7211578175722313
Energy: 1.4527250010027117
Energy: 1.7211578175715785
Energy: 1.9168374868409237
Energy: 1.7848634370818999
Energy: 1.3912949212410581
Energy: 1.7848634370832057
Energy: 1.9168374868409237
Energy: 1.7848634370832057
Energy: 1.7000271391433526
Energy: 1.9344333764810546
Energy: 1.36915554445396
Energy: 1.9344333764804016
Energy: 1.7000271391426995
Energy: 1.9344333764804016
Energy: 1.3679341374024359
Energy: 1.7008316711950018
Energy: 1.3679385993328517
Energy: 1.700831671193696
Energy: 1.3679341374024359
Energy: 1.789254631059951
Energy: 1.3691888685132236
Energy: 1.9345308669311085
Energy: 1.9208791261468552
Energy: 1.9345308669317618
Energy: 1.3691888685125708
Energy: 1.9345308669317618
Energy: 1.3913759998976767
Energy: 1.7850570841859275
Energy: 1.916769799129352
Energy: 1.7850570841859275
Energy: 1.3913759998976767
Energy: 1.7850570841859275
Energy: 1.3597873789366548
Energy: 1.720900061089033
Energy: 1.4527636040335614
Energy: 1.7209000610883802
Energy: 1.3597873789366548
Energy: 1.720900061089033
Energy: 1.3894061171943108
Energy: 1.9097537221551535
Energy: 1.4508978120162288
Energy: 1.9097537221551535
Energy: 1.3894061171943108
Energy: 1.9097537221545007
Energy: 1.437463819844907
Energy: 1.8161280107368516
Energy: 1.3792269801767731
Energy: 1.8161280107361988
Energy: 1.437463819844907
Energy: 1.8161280107361988
Energy: 1.9528914394398231
Energy: 1.9340441084956883
Energy: 1.3769350239511484
Energy: 1.9340441084963416
Energy: 1.9528914394391703
Energy: 1.9340441084956883
Energy: 1.9501810654174476
Energy: 1.5625719953340376
Energy: 1.4064370042972585
Energy: 1.5625719953340376
Energy: 1.9501810654174476
Energy: 1.5625719953340376
Energy: 1.38865719148833
Energy: 1.7292796166551858
Energy: 1.380390536013901
Energy: 1.729279616655839
Energy: 1.38865719148833
Energy: 1.7292796166551858
Energy: 1.43820883899031
Energy: 1.831328456569111
Energy: 1.5024272974820896
Energy: 1.831328456569111
Energy: 1.438208838989657
Energy: 1.831328456569764
Energy: 1.3780394601857193
Energy: 1.5620705960082584
Energy: 1.8210625805031748
Energy: 1.5620705960089112
Energy: 1.3780394601844133
Energy: 1.5620705960089112
Energy: 1.3878164022834272
Energy: 1.7368567845079315
Energy: 1.5303965185724369
Energy: 1.7368567845079315
Energy: 1.3878164022834272
Energy: 1.7368567845079315
Energy: 1.4003439477831376
Energy: 1.5551729825370213
Energy: 1.7488229288937305
Energy: 1.5551729825357152
Energy: 1.4003439477831376
Energy: 1.5551729828614136
Energy: 1.6708924872237634
Energy: 1.4466288006863
Energy: 1.3617819949533525
Energy: 1.446628800686953
Energy: 1.6708924872237634
Energy: 1.446628800687606
Energy: 1.5355061354583237
Energy: 1.7473196316749995
Energy: 1.450094701602591
Energy: 1.7473196316743465
Energy: 1.5355061354583237
Energy: 1.7473196316749995
Energy: 1.6811918206497627
Energy: 1.4514044302736882
Energy: 1.4034958470940269
Energy: 1.4514044302736882
Energy: 1.6811918206491097
Energy: 1.451404430273035
Energy: 1.5101828963036719
Energy: 1.7349624413461353
Energy: 1.4667328086819589
Energy: 1.7349624413461353
Energy: 1.5101828963036719
Energy: 1.7349624413461353
Energy: 1.457605536373858
Energy: 1.468689168226901
Energy: 1.391479027647084
Energy: 1.468689168227554
Energy: 1.457605536374511
Energy: 1.468689168227554
Energy: 1.4118322703972068
Energy: 1.3808516628055612
Energy: 1.6808590373081846
Energy: 1.380851662802949
Energy: 1.411832270396554
Energy: 1.3808516628042553
Energy: 1.4791737676324388
Energy: 1.9578650316940938
Energy: 2.0003849698988594
Energy: 1.957865031693441
Energy: 1.4791735562478086
Energy: 1.9578650316940938
Energy: 1.4118502563529622
Energy: 1.3814377201826726
Energy: 1.6805131960367283
Energy: 1.3814377201820196
Energy: 1.4118502563529622
Energy: 1.3814377201820196
Energy: 1.457482272595678
Energy: 1.4682789462624215
Energy: 1.3915672764084568
Energy: 1.4682789462624215
Energy: 1.457482272593066
Energy: 1.4682789462630745
Energy: 1.509905032749905
Energy: 1.7344079405431596
Energy: 1.4670813005124648
Energy: 1.7344079405386184
Energy: 1.509905032750558
Energy: 1.7344079405307822
Energy: 1.7012519161553217
Energy: 1.451404430273035
Energy: 1.4032887045755429
Energy: 1.451404430273035
Energy: 1.7012519161553217
Energy: 1.451404430273035

minimum gb energy = 1.3597873789366548 eV
minimum distance =  2.26081541113034 Angstroms
sigma value = 57


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

Energy: 1.5756141170371407
Energy: 1.8721710113545231
Energy: 1.6378412523230224
Energy: 1.87217101135346
Energy: 1.5756141170360773
Energy: 1.87217101135346
Energy: 1.4560224406830122
Energy: 1.415355786314856
Energy: 1.4185419495574532
Energy: 1.4153557863127295
Energy: 1.4560224406830122
Energy: 1.4153557863127295
Energy: 1.3791930894092808
Energy: 1.5489161893328554
Energy: 1.652115990798532
Energy: 1.5489161893020216
Energy: 1.3791930894092808
Energy: 1.5489161893158434
Energy: 1.5668628244184244
Energy: 1.4866028923869834
Energy: 1.5454227294607579
Energy: 1.4866028923837935
Energy: 1.5668628244184244
Energy: 1.48660289238911
Energy: 1.3820145082280688
Energy: 1.4393547303123495
Energy: 1.4989807320566944
Energy: 1.4393547303123495
Energy: 1.3820145082248794
Energy: 1.4393547303112864
Energy: 1.4933902675518647
Energy: 1.4839279270195211
Energy: 1.5461005033552306
Energy: 1.4839279270184578
Energy: 1.493390267552928
Energy: 1.4839279270205843
Energy: 1.3818400406269897
Energy: 1.4867523195792796
Energy: 1.3767472028037908
Energy: 1.486752319580343
Energy: 1.3818400406280529
Energy: 1.4867523195792796
Energy: 1.8289595329237627
Energy: 1.4302312143581126
Energy: 1.4183772929739948
Energy: 1.4302312134823896
Energy: 1.8289595329237627
Energy: 1.430231212912735
Energy: 1.5724871976918815
Energy: 1.906026770612242
Energy: 1.3820882382569182
Energy: 1.9060267706111786
Energy: 1.5724871976908181
Energy: 1.9060267706111786
Energy: 1.428194434135692
Energy: 1.3785107398234893
Energy: 1.3840056222288413
Energy: 1.3785107398224261
Energy: 1.428194434135692
Energy: 1.3785107398234893
Energy: 1.3823831711482029
Energy: 1.642336665824232
Energy: 1.4864198042528656
Energy: 1.6423366658178526
Energy: 1.3823831711482029
Energy: 1.6423366658189158
Energy: 1.426784381297073
Energy: 1.4808398345224063
Energy: 1.4867832433153803
Energy: 1.48083983452028
Energy: 1.426784381297073
Energy: 1.480839834521343
Energy: 1.3748131432949806
Energy: 1.677469193934614
Energy: 1.4858773534491059
Energy: 1.677469193934614
Energy: 1.3748131432960438
Energy: 1.677469193934614
Energy: 1.4874184011747036
Energy: 1.7029522648543534
Energy: 1.4860328476251954
Energy: 1.7029522648543534
Energy: 1.4874184011747036
Energy: 1.7029522648532902
Energy: 1.3848192444493337
Energy: 1.4883118446243297
Energy: 1.3739038766826994
Energy: 1.4883118446253931
Energy: 1.3848192444493337
Energy: 1.4883118446253931
Energy: 1.8339402045004414
Energy: 1.7208720430661044
Energy: 1.389462261372962
Energy: 1.7208720430661044
Energy: 1.8339402046216025
Energy: 1.7208720430650413
Energy: 1.5275915795843626
Energy: 1.9040219026679983
Energy: 1.3778587925236732
Energy: 1.9040219026658718
Energy: 1.5275915795832997
Energy: 1.9040219026658718
Energy: 1.4874715184039191
Energy: 1.7353254541111058
Energy: 1.377909212096976
Energy: 1.735325454107916
Energy: 1.4874715184039191
Energy: 1.735325454107916
Energy: 1.3851827854121073
Energy: 1.6581534233275161
Energy: 1.480392656886743
Energy: 1.6581534230331438
Energy: 1.385182785411044
Energy: 1.6581534234210813
Energy: 1.5032512530783906
Energy: 1.9073928098220516
Energy: 1.480803602113094
Energy: 1.9073928098220516
Energy: 1.5032512530794537
Energy: 1.9073928098209885
Energy: 1.3790985304390162
Energy: 1.8510395653038738
Energy: 1.4801962857221944
Energy: 1.8510395653038738
Energy: 1.3790985304390162
Energy: 1.8510395653028104
Energy: 1.383821206498962
Energy: 1.9062157084306488
Energy: 1.480313796011898
Energy: 1.9062157084317117
Energy: 1.3838212064978985
Energy: 1.9062157084317117
Energy: 1.3757791858842772
Energy: 1.6910401598333873
Energy: 1.3769476234795173
Energy: 1.6910401598355138
Energy: 1.3757791858842772
Energy: 1.6910401598355138
Energy: 1.5255032299878102
Energy: 1.9051779767113317
Energy: 1.3855482329324147
Energy: 1.9051779767134582
Energy: 1.525503229986747
Energy: 1.9051779767134582
Energy: 1.525370144992179
Energy: 1.8765755966948658
Energy: 1.3878241369279065
Energy: 1.8765755966927393
Energy: 1.525370144992179
Energy: 1.8765755966927393
Energy: 1.3839057263146928
Energy: 1.4883477958923004
Energy: 1.3783988868209955
Energy: 1.4883477958901739
Energy: 1.3839057263146928
Energy: 1.488347795891237
Energy: 1.3766904861536622
Energy: 1.9092714675534794
Energy: 1.4829968328557872
Energy: 1.909271467555606
Energy: 1.3766904861536622
Energy: 1.9092714675545426

minimum gb energy = 1.3739038766826994 eV
minimum distance =  2.25803989869507 Angstroms
sigma value = 43


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

Energy: 1.6400767352378032
Energy: 1.8369288496525407
Energy: 1.665396001487918
Energy: 1.836928849651766
Energy: 1.6400767352378032
Energy: 1.8369288496525407
Energy: 1.4806270056934263
Energy: 1.4540783799211987
Energy: 1.46684629131379
Energy: 1.4540783799219734
Energy: 1.4806270056926516
Energy: 1.4540783799219734
Energy: 1.4710588545087084
Energy: 1.5892360632316864
Energy: 1.5860486908914564
Energy: 1.5892360632316864
Energy: 1.4710588545094834
Energy: 1.5892360632316864
Energy: 1.6148328888198649
Energy: 1.8129279009520476
Energy: 1.5947355001368635
Energy: 1.8129279009528223
Energy: 1.6148328888198649
Energy: 1.8129279009520476
Energy: 1.4765511425762263
Energy: 1.5033566662277158
Energy: 1.5141956301841564
Energy: 1.503356666226941
Energy: 1.4765511425762263
Energy: 1.5033566662277158
Energy: 1.528334608722598
Energy: 1.575343462270525
Energy: 1.492246633385904
Energy: 1.5753434622720741
Energy: 1.528334608722598
Energy: 1.5753434622712996
Energy: 1.4918065713868531
Energy: 1.5544977264276425
Energy: 1.4719191230703683
Energy: 1.5544977264268678
Energy: 1.4918065713868531
Energy: 1.5544977264268678
Energy: 1.5440967921152688
Energy: 1.5052117241035887
Energy: 1.476477492588322
Energy: 1.5052117241028142
Energy: 1.544096792116818
Energy: 1.5052117241012646
Energy: 1.589999841036511
Energy: 1.8123919201553627
Energy: 1.541223262194893
Energy: 1.812391920154588
Energy: 1.5899998410357363
Energy: 1.812391920154588
Energy: 1.648295323855296
Energy: 1.5678317734795768
Energy: 1.451337572257881
Energy: 1.5678317734795768
Energy: 1.6482953238568454
Energy: 1.5678317734795768
Energy: 1.4510388121845126
Energy: 1.5104396845317023
Energy: 1.9334031925857476
Energy: 1.5104396845317023
Energy: 1.4510388121829632
Energy: 1.5104396845332513
Energy: 1.4516321740410203
Energy: 1.8705886590015994
Energy: 1.6411480262878353
Energy: 1.8705886590039233
Energy: 1.4516321740410203
Energy: 1.870588659002374
Energy: 1.4577213605948678
Energy: 1.4533396818565372
Energy: 1.5414141885030974
Energy: 1.4533396818565372
Energy: 1.4577213605948678
Energy: 1.4533396818565372
Energy: 1.5544292967587119
Energy: 1.6513181117639957
Energy: 1.4519727852921447
Energy: 1.6513181117639957
Energy: 1.5544292967579372
Energy: 1.6513181117632212
Energy: 1.5590822254525365
Energy: 1.8427065803554037
Energy: 1.4664989807025002
Energy: 1.8427065803554037
Energy: 1.5590822254525365
Energy: 1.8427065803554037
Energy: 1.5284606050099754
Energy: 1.7036152762684311
Energy: 1.44205468280952
Energy: 1.7036152762684311
Energy: 1.5284606050092004
Energy: 1.7036152762692056
Energy: 1.4792587725223727
Energy: 1.6891530365962626
Energy: 1.531871279336842
Energy: 1.6891530365978122
Energy: 1.4792587725223727
Energy: 1.6891530366078826
Energy: 1.4654888652468532
Energy: 1.554065984627902
Energy: 1.4779723947335277
Energy: 1.5540659846294511
Energy: 1.4654888652468532
Energy: 1.554065984627902
Energy: 1.453132708811706
Energy: 1.6255642643238655
Energy: 1.560755860698408
Energy: 1.6255642643230908
Energy: 1.453132708811706
Energy: 1.6255642643238655
Energy: 1.4441398986823313
Energy: 1.891352835549136
Energy: 1.5585802289964295
Energy: 1.891352835549136
Energy: 1.4441398986823313
Energy: 1.891352835549136
Energy: 1.4410545666558003
Energy: 1.5681549838845186
Energy: 1.4553681164076944
Energy: 1.5681549838829691
Energy: 1.4410545666558003
Energy: 1.5681549838837439
Energy: 2.129764190885882
Energy: 1.6686989106151884
Energy: 1.4520824826131509
Energy: 1.6686989106151884
Energy: 2.129764190886656
Energy: 1.6686989106151884
Energy: 1.866026580105112
Energy: 1.883207759587383
Energy: 1.4524231168314883
Energy: 1.883207759587383
Energy: 1.866026580105112
Energy: 1.883207759587383
Energy: 1.4434843078994382
Energy: 1.7467240166092564
Energy: 1.451101006659498
Energy: 1.7467240166100313
Energy: 1.4434843078994382
Energy: 1.7467240166100313
Energy: 1.4413570470491555
Energy: 1.7155871806830332
Energy: 1.5560596763256485
Energy: 1.7155871806838079
Energy: 1.4413570470483807
Energy: 1.7155871806838079
Energy: 1.454417569828172
Energy: 1.8428917338967596
Energy: 1.5556484387718021
Energy: 1.8428917338967596
Energy: 1.454417569828172
Energy: 1.8428917338967596
Energy: 1.442208479184507
Energy: 1.8528226105847847
Energy: 1.5287689635202744
Energy: 1.852822610585559
Energy: 1.442208479184507
Energy: 1.8528226105847847
Energy: 1.5288896116516018
Energy: 1.882367878953977
Energy: 1.5288507670569955
Energy: 1.882367878953977
Energy: 1.528889611650827
Energy: 1.882367878953977
Energy: 1.528786580886755
Energy: 1.8527839747739137
Energy: 1.4741479343691821
Energy: 1.8527839747739137
Energy: 1.528786580886755
Energy: 1.8527839747739137
Energy: 1.5556385307526086
Energy: 1.843255655049268
Energy: 1.4544387446583922
Energy: 1.843255655049268
Energy: 1.5556385307526086
Energy: 1.843255655049268
Energy: 1.5561756152706983
Energy: 1.715633600976687
Energy: 1.441344241799226
Energy: 1.7156336009774618
Energy: 1.5561756152699238
Energy: 1.715633600976687
Energy: 1.451068089449044
Energy: 1.746939018658856
Energy: 1.4434878846891086
Energy: 1.746939018658856
Energy: 1.451068089449044
Energy: 1.7469390186580815
Energy: 1.452390348569399
Energy: 1.8832878547825624
Energy: 2.1316466786600783
Energy: 1.8832878547825624
Energy: 1.452390348569399
Energy: 1.8832878547825624
Energy: 1.4520999473942104
Energy: 1.6689999281357184
Energy: 2.129917092884914
Energy: 1.6689999281264223
Energy: 1.452099947394985
Energy: 1.6689999281287462
Energy: 1.455782558316019
Energy: 1.567480154144102
Energy: 1.4411052868149867
Energy: 1.5674801541448766
Energy: 1.4557825583167936
Energy: 1.567480154144102
Energy: 1.5570415111986349
Energy: 1.8912879559825395
Energy: 1.4441268233769669
Energy: 1.8912879559825395
Energy: 1.5570415111978602
Energy: 1.8912879559817648

minimum gb energy = 1.4410545666558003 eV
minimum distance =  2.25334242672249 Angstroms
sigma value = 81


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

Energy: 1.518798654604203
Energy: 1.498774297745366
Energy: 2.6171517785043656
Energy: 1.498774297745075
Energy: 1.5187986546039118
Energy: 1.498774297745366
Energy: 1.4949111183351937
Energy: 1.4983592015689697
Energy: 1.518786926547492
Energy: 1.4983592015689697
Energy: 1.4949111183215442
Energy: 1.4983592015689697
Energy: 1.5187710694330516
Energy: 1.498393039424935
Energy: 1.4792153458920119
Energy: 1.498393039425226
Energy: 1.518771069433343
Energy: 1.498393039425226
Energy: 2.6171517785043656
Energy: 1.498774297745366
Energy: 1.5187986546044943
Energy: 1.498774297745075
Energy: 2.617151778504624
Energy: 1.498774297745075
Energy: 1.5187869265477831
Energy: 1.4983592015692608
Energy: 1.4949111185164228
Energy: 1.4983592015689697
Energy: 1.5187869265477831
Energy: 1.4983592015689697
Energy: 1.5072872329322986
Energy: 1.498393039424935
Energy: 1.5187710694330516
Energy: 1.498393039424935
Energy: 1.5072872329365685
Energy: 1.498393039424935
Energy: 1.5187986546044943
Energy: 1.498774297745366
Energy: 1.8206632115638357
Energy: 1.498774297745366
Energy: 1.5187986546047851
Energy: 1.498774297745366
Energy: 1.4949111186615225
Energy: 1.4983592015689697
Energy: 1.5187869265477831
Energy: 1.4983592015689697
Energy: 1.4949111186510105
Energy: 1.4983592015692608
Energy: 1.518771069433343
Energy: 1.498393039425226
Energy: 1.5072872329445577
Energy: 1.498393039425226
Energy: 1.5187710694330516
Energy: 1.498393039425226
Energy: 1.694747974766101
Energy: 1.498774297745075
Energy: 1.518798654604203
Energy: 1.498774297745366
Energy: 1.6947479747669743
Energy: 1.498774297745366

minimum gb energy = 1.4792153458920119 eV
minimum distance =  2.29743888220215 Angstroms
sigma value = 3


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

Energy: 1.9265704994003934
Energy: 1.9603405075266505
Energy: 1.8627186175845944
Energy: 1.9603405075266505
Energy: 1.9265704994003934
Energy: 1.9603405075266505
Energy: 1.7017543395893526
Energy: 1.4928467140782136
Energy: 1.4630169865365075
Energy: 1.4928467140773618
Energy: 1.7017543395893526
Energy: 1.49284671407651
Energy: 1.4895937880875016
Energy: 1.4631528630550992
Energy: 1.5924081737400726
Energy: 1.4631528630550992
Energy: 1.4895937880875016
Energy: 1.4631528630550992
Energy: 1.469494926642206
Energy: 1.9370056437226788
Energy: 1.522451754165627
Energy: 1.9370056437226788
Energy: 1.4694949266387989
Energy: 1.937005643721827
Energy: 1.4646361494705629
Energy: 1.478681998055229
Energy: 1.4549032236476875
Energy: 1.4786819980535257
Energy: 1.4646361494705629
Energy: 1.4786819980543773
Energy: 1.4924144393330971
Energy: 1.5287610307725394
Energy: 1.4596551267940463
Energy: 1.5287610307725394
Energy: 1.4924144393322456
Energy: 1.5287610307725394
Energy: 1.4649709726822564
Energy: 1.4823517322744206
Energy: 1.4797587563776085
Energy: 1.482351732273569
Energy: 1.4649709726822564
Energy: 1.4823517322744206
Energy: 1.4648742277336788
Energy: 1.8657183771671988
Energy: 1.5072282440678157
Energy: 1.8657183771671988
Energy: 1.4648742277336788
Energy: 1.8657183771671988
Energy: 1.473528157221607
Energy: 1.4629577354112564
Energy: 1.6698530871949342
Energy: 1.4629577354112564
Energy: 1.473528157221607
Energy: 1.4629577354104049
Energy: 1.4698841980086907
Energy: 1.4927746316213606
Energy: 1.4591775799779318
Energy: 1.4927746316213606
Energy: 1.4698841980095423
Energy: 1.4927746316213606
Energy: 1.9075706627219742
Energy: 1.6430075492922211
Energy: 1.478039326116031
Energy: 1.6430075492930734
Energy: 1.9075706627219742
Energy: 1.6430075492930734
Energy: 1.7012141809542418
Energy: 1.6451643294518739
Energy: 1.456006600504392
Energy: 1.6451643294518739
Energy: 1.7012141809533903
Energy: 1.6451643294518739
Energy: 1.477033057304869
Energy: 1.5619259245789268
Energy: 1.4565010291501084
Energy: 1.5619259245797787
Energy: 1.4770330573040173
Energy: 1.5619259245789268
Energy: 1.4700656728280315
Energy: 1.8610540154470847
Energy: 1.5054463782244634
Energy: 1.8610540154470847
Energy: 1.4700656728288832
Energy: 1.8610540154470847
Energy: 1.4646924554052125
Energy: 1.5098485912010842
Energy: 1.5047118707401348
Energy: 1.509848591202788
Energy: 1.4646924554052125
Energy: 1.509848591202788
Energy: 1.4653904270403053
Energy: 1.6493942747037016
Energy: 1.457905087825835
Energy: 1.6493942747045534
Energy: 1.4653904270403053
Energy: 1.6493942747045534
Energy: 1.4647145879361743
Energy: 1.6530709894969486
Energy: 1.4587482697960927
Energy: 1.6530709894960964
Energy: 1.4647145879361743
Energy: 1.6530709894960964
Energy: 1.465417781068577
Energy: 1.5582199723716557
Energy: 1.5048427322527784
Energy: 1.5582199723725074
Energy: 1.465417781068577
Energy: 1.5582199723725074
Energy: 1.4704635078007535
Energy: 1.7462825347679234
Energy: 1.5042394420849152
Energy: 1.7462825347679234
Energy: 1.4704635078016053
Energy: 1.7462825347687756
Energy: 1.4710059593887754
Energy: 1.492954218522854
Energy: 1.4570241032099236
Energy: 1.492954218522854
Energy: 1.4710059593896272
Energy: 1.492954218522854
Energy: 1.7015766652654654
Energy: 1.5128533519143943
Energy: 1.4569531229468995
Energy: 1.5128533519143943
Energy: 1.7015766652663173
Energy: 1.5128533519143943
Energy: 1.905527516441529
Energy: 1.5162609915276717
Energy: 1.4782196407311863
Energy: 1.51626099152682
Energy: 1.905527516441529
Energy: 1.51626099152682
Energy: 1.4705352937250482
Energy: 1.4928662635736627
Energy: 1.4592472382276753
Energy: 1.4928662635745145
Energy: 1.4705352937250482
Energy: 1.4928662635753664
Energy: 1.4711333388040149
Energy: 1.463228840205178
Energy: 1.6696197763964422
Energy: 1.4632288402060298
Energy: 1.4711333388031629
Energy: 1.4632288402060298
Energy: 1.4651736593960978
Energy: 1.6880174756560473
Energy: 1.505504167864059
Energy: 1.6880174756560473
Energy: 1.4651736593943943
Energy: 1.6880174756560473
Energy: 1.4768777267271285
Energy: 1.8801300102210237
Energy: 1.5399673830647391
Energy: 1.8801300102218756
Energy: 1.4768777267271285
Energy: 1.8801300102210237
Energy: 1.4647731217419313
Energy: 1.4966969003400417
Energy: 1.4588252989872474
Energy: 1.49669690033919
Energy: 1.464773121742783
Energy: 1.49669690033919
Energy: 1.47648390163902
Energy: 1.4783812439001707
Energy: 1.4551180197228741
Energy: 1.4783812438993191
Energy: 1.47648390163902
Energy: 1.478381243902726
Energy: 1.5488524385285256
Energy: 1.8624716407819528
Energy: 1.5050447927904498
Energy: 1.862471640782805
Energy: 1.5488524385293776
Energy: 1.8624716407819528
Energy: 1.481246729094536
Energy: 1.4640383798870593
Energy: 1.455107687908605
Energy: 1.4640383798853558
Energy: 1.481246729093684
Energy: 1.4640383798853558
Energy: 1.9054261757242004
Energy: 1.4928089782625675
Energy: 1.4603133931474033
Energy: 1.4928089782634193
Energy: 1.9054261757242004
Energy: 1.4928089782634193
Energy: 1.9065642454073894
Energy: 1.9598532077472477
Energy: 1.4784450939569906
Energy: 1.9598532077472477
Energy: 1.9065642454082412
Energy: 1.9598532077472477
Energy: 1.701149350666679
Energy: 1.4962557673314034
Energy: 1.4624008930535153
Energy: 1.4962557673322552
Energy: 1.701149350666679
Energy: 1.4962557673322552

minimum gb energy = 1.4549032236476875 eV
minimum distance =  2.26328626285863 Angstroms
sigma value = 67


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

Energy: 1.480521731499097
Energy: 2.0356167625295885
Energy: 1.7756360685922437
Energy: 2.0356167625295885
Energy: 1.480521731500311
Energy: 2.035616762530802
Energy: 1.7758075079384164
Energy: 1.4055215119103999
Energy: 1.4094216478663326
Energy: 1.4055215119116138
Energy: 1.7758075079384164
Energy: 1.4055215119116138
Energy: 1.4033293471868973
Energy: 1.4819175971546161
Energy: 1.3944856235980017
Energy: 1.4819175971546161
Energy: 1.4033293471868973
Energy: 1.4819175971546161
Energy: 1.7784645033269755
Energy: 2.043561508975228
Energy: 1.4215742914487615
Energy: 2.0435615089740145
Energy: 1.7784645033269755
Energy: 2.0435615089764423
Energy: 1.4020312598646747
Energy: 2.0430621830253672
Energy: 1.8126440837518456
Energy: 2.0430621830253672
Energy: 1.4020312598658884
Energy: 2.0430621830241535
Energy: 1.3946702098671757
Energy: 1.4094032257242264
Energy: 1.4015712056835792
Energy: 1.409403225723013
Energy: 1.394670209865962
Energy: 1.4094032257242264
Energy: 1.3912574075049602
Energy: 1.4057866534498233
Energy: 1.397160152179032
Energy: 1.4057866534498233
Energy: 1.3912574075049602
Energy: 1.4057866534498233
Energy: 1.3974067820174245
Energy: 1.921064540524221
Energy: 1.9523775513653172
Energy: 1.921064540524221
Energy: 1.3974067820174245
Energy: 1.921064540524221
Energy: 1.396973556229769
Energy: 1.4233352318568309
Energy: 1.8705474375218445
Energy: 1.4233352318580446
Energy: 1.396973556229769
Energy: 1.4233352318568309
Energy: 1.3971284938913027
Energy: 1.4064824045871063
Energy: 1.3976449250732736
Energy: 1.40648240458832
Energy: 1.3971284938925164
Energy: 1.40648240458832
Energy: 1.3953557030113564
Energy: 1.745545732023727
Energy: 1.4046224959130629
Energy: 1.745545732023727
Energy: 1.3953557030113564
Energy: 1.7455457320249408
Energy: 1.3953578139702745
Energy: 1.4403976517414743
Energy: 1.3953408699600733
Energy: 1.4403976517414743
Energy: 1.3953578139714882
Energy: 1.4403976517414743
Energy: 1.403345947866694
Energy: 1.7454836863558152
Energy: 1.3951915242797286
Energy: 1.7454836863558152
Energy: 1.403345947866694
Energy: 1.7454836863570289
Energy: 1.3974829852542978
Energy: 1.4064209565558758
Energy: 1.3971490016001293
Energy: 1.406420956554662
Energy: 1.3974829852542978
Energy: 1.406420956554662
Energy: 1.8702719308108997
Energy: 1.4233035739658133
Energy: 1.396941567151609
Energy: 1.423303573967027
Energy: 1.8702719308108997
Energy: 1.423303573967027
Energy: 1.9520710896387006
Energy: 1.9210754409667061
Energy: 1.3971096210128051
Energy: 1.9210754409667061
Energy: 1.9520710896387006
Energy: 1.9210754409667061
Energy: 1.397245863386866
Energy: 1.4057648727225642
Energy: 1.4040656931433404
Energy: 1.4057648727225642
Energy: 1.3972458633880802
Energy: 1.4057648727237777
Energy: 1.4018042881265214
Energy: 1.4092366095524076
Energy: 1.3945775454877691
Energy: 1.4092366095584759
Energy: 1.4018042881253074
Energy: 1.4092366095524076
Energy: 1.812637718515475
Energy: 2.042987483984099
Energy: 1.4024832602424246
Energy: 2.0429874839853133
Energy: 1.812637718515475
Energy: 2.042987483984099
Energy: 1.4214210343158111
Energy: 2.043291644050253
Energy: 1.7784230439668467
Energy: 2.043291644061177
Energy: 1.4214210343158111
Energy: 2.0432916440623905
Energy: 1.3947534388767338
Energy: 1.4819175971534024
Energy: 1.4083811545267593
Energy: 1.4819175971521887
Energy: 1.3947534388767338
Energy: 1.4819175971534024
Energy: 1.4094728097786982
Energy: 1.4058125824468313
Energy: 1.7761014629874048
Energy: 1.4058125824480447
Energy: 1.4094728097786982
Energy: 1.4058125824480447
Energy: 1.6279528325321195
Energy: 2.0356167625295885
Energy: 1.480521731500311
Energy: 2.0356167625295885
Energy: 1.627952832530906
Energy: 2.0356167625295885

minimum gb energy = 1.3912574075049602 eV
minimum distance =  2.25087780789104 Angstroms
sigma value = 33


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

Energy: 1.7268434340010894
Energy: 2.105409318965102
Energy: 1.9534838996009365
Energy: 2.105409318966642
Energy: 1.7268434340010894
Energy: 2.1054093189681824
Energy: 1.817208536907419
Energy: 1.6946168269436888
Energy: 1.3012745932525058
Energy: 1.6946168269436888
Energy: 1.817208536906649
Energy: 1.6946168269429192
Energy: 1.3178370549455105
Energy: 1.3816648857178584
Energy: 1.7382817696312374
Energy: 1.3816648857186282
Energy: 1.3178370549455105
Energy: 1.381664885719398
Energy: 1.3639862757838606
Energy: 1.6790112343827812
Energy: 1.3528037450345969
Energy: 1.6790112343820112
Energy: 1.3639862757846306
Energy: 1.6790112343827812
Energy: 1.6580033699079066
Energy: 1.8625883663653482
Energy: 1.6357218784666703
Energy: 1.862588366364578
Energy: 1.6580033699079066
Energy: 1.862588366364578
Energy: 1.4927204069200828
Energy: 1.332873569145388
Energy: 1.3182197709533576
Energy: 1.332873569145388
Energy: 1.49272040689086
Energy: 1.332873569146158
Energy: 1.3174606615905375
Energy: 1.332678528483872
Energy: 1.3123646562447953
Energy: 1.3326785284831022
Energy: 1.3174606615905375
Energy: 1.3326785284831022
Energy: 1.3136464315180252
Energy: 1.7380917292795774
Energy: 1.6536756841158555
Energy: 1.7380917292795774
Energy: 1.3136464315172551
Energy: 1.7380917292795774
Energy: 1.628396097286598
Energy: 1.565632164614359
Energy: 1.6514444881901402
Energy: 1.565632164613624
Energy: 1.628396097286598
Energy: 1.565632164613624
Energy: 1.329288611391389
Energy: 1.5241357322580202
Energy: 1.3195693878612944
Energy: 1.5241357322587903
Energy: 1.329288611390619
Energy: 1.5433718412328243
Energy: 1.3008625651519017
Energy: 1.5819776914116919
Energy: 1.31178202264415
Energy: 1.5819776914116919
Energy: 1.3008625651519017
Energy: 1.5819776914116919
Energy: 1.3025357081607507
Energy: 1.49029673293294
Energy: 1.850091104340033
Energy: 1.49029673293371
Energy: 1.3025357081607507
Energy: 1.49029673293371
Energy: 1.646463682690361
Energy: 1.8683621592818551
Energy: 1.7085656270898941
Energy: 1.8683621592833952
Energy: 1.6464636826911305
Energy: 1.8683621592826254
Energy: 1.3013841413165286
Energy: 1.6949586535560146
Energy: 1.3037060473853492
Energy: 1.6949586535560146
Energy: 1.3013841413188383
Energy: 1.6949586535560146
Energy: 1.6510562491368532
Energy: 1.3814106816091216
Energy: 1.3067274860083744
Energy: 1.3814106816091216
Energy: 1.6510562491345435
Energy: 1.3814106816083518
Energy: 1.352668696508965
Energy: 1.6798119515928758
Energy: 1.825707779330532
Energy: 1.6798119515928758
Energy: 1.352668696508965
Energy: 1.6798119515928758
Energy: 1.8425790454063067
Energy: 2.09671996047517
Energy: 1.6775866879689745
Energy: 2.0967199604759394
Energy: 1.8425790454063067
Energy: 2.09671996047517
Energy: 1.316308067233609
Energy: 1.3385109281224017
Energy: 1.745540215747727
Energy: 1.3385109281216316
Energy: 1.316308067233609
Energy: 1.3385109281224017
Energy: 1.4743370062810606
Energy: 1.3394999300765822
Energy: 1.3069929128539721
Energy: 1.3394999300773525
Energy: 1.4743370060755558
Energy: 1.3394999300765822
Energy: 1.6554608669819362
Energy: 2.0973235611113616
Energy: 1.3128425311020993
Energy: 2.0973235611113616
Energy: 1.6554608669219155
Energy: 2.0973235611121313
Energy: 1.8210516106016583
Energy: 1.6496666624588125
Energy: 1.3267867458120457
Energy: 1.6496666624595822
Energy: 1.8210516106016583
Energy: 1.6496666624588125
Energy: 1.3156059758152179
Energy: 1.3423686733552314
Energy: 1.6313608048844475
Energy: 1.3423686733536915
Energy: 1.315605975815988
Energy: 1.3423686733544613
Energy: 1.312105577992249
Energy: 1.5817240256865062
Energy: 1.3002125901940917
Energy: 1.5817240256865062
Energy: 1.312105577992249
Energy: 1.5817240256872762
Energy: 1.7051870658848547
Energy: 1.5351171681314213
Energy: 1.302579156681119
Energy: 1.5351171681321913
Energy: 1.7051870658848547
Energy: 1.5351171681314213
Energy: 1.8361727136507775
Energy: 1.3675805966064734
Energy: 1.300470232208887
Energy: 1.3675805966064734
Energy: 1.8361727136515473
Energy: 1.3675805966072434
Energy: 1.3140507047930226
Energy: 1.5794837315081929
Energy: 1.302783786474433
Energy: 1.5794837315081929
Energy: 1.3140507047930226
Energy: 1.5794837315081929
Energy: 1.31806737551815
Energy: 1.4790722272304053
Energy: 1.6286555089118115
Energy: 1.4790722272265555
Energy: 1.31806737551815
Energy: 1.4790722272250505
Energy: 1.6530778286785892
Energy: 1.6498340399150881
Energy: 1.3289804481956677
Energy: 1.6498340399150881
Energy: 1.6530778286785892
Energy: 1.649834039915858
Energy: 1.6569669482384943
Energy: 1.8631245799385756
Energy: 1.3123286373082073
Energy: 1.8631245799385756
Energy: 1.6569669482377243
Energy: 1.8631245799385756
Energy: 1.3129347022751838
Energy: 1.3371349545179134
Energy: 1.3156106952823141
Energy: 1.3371349545186835
Energy: 1.3129347022751838
Energy: 1.3371349545179134
Energy: 1.3173421810767592
Energy: 1.5604382204040232
Energy: 1.8214667798686224
Energy: 1.5604382204040232
Energy: 1.3173421810767592
Energy: 1.5604382204040232
Energy: 1.638006139766343
Energy: 2.096795978707593
Energy: 1.6536387940786903
Energy: 2.0967959787091326
Energy: 1.638006139767883
Energy: 2.096795978708363
Energy: 1.3526399684201993
Energy: 1.6794186188197124
Energy: 1.759531016316001
Energy: 1.6794186188197124
Energy: 1.3526399684201993
Energy: 1.6794186188181728
Energy: 1.7285702473281965
Energy: 1.3813056666001895
Energy: 1.316676195242044
Energy: 1.3813056666009595
Energy: 1.7285702473281965
Energy: 1.3813056666001895
Energy: 1.3348237546808521
Energy: 1.6975888742659597
Energy: 1.7625529119958296
Energy: 1.6975888742667298
Energy: 1.3348237546808521
Energy: 1.6975888742667298
Energy: 1.6487226292015646
Energy: 2.1053276252241813
Energy: 1.704468287758304
Energy: 2.105327625224951
Energy: 1.6487226292023345
Energy: 2.1053276252241813
Energy: 1.3002981058149747
Energy: 1.837899534793679
Energy: 1.867120043194759
Energy: 1.837899534793679
Energy: 1.3002981058142047
Energy: 1.837899534793679

minimum gb energy = 1.3002125901940917 eV
minimum distance =  2.24633821789298 Angstroms
sigma value = 41


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

Energy: 1.1217259446811885
Energy: 2.1265047302406748
Energy: 2.08329111265632
Energy: 2.126504730242777
Energy: 1.1217259446811885
Energy: 2.1265047302406748
Energy: 1.7918164528343867
Energy: 1.082382755871946
Energy: 1.0655030962106131
Energy: 1.082382755871946
Energy: 1.7918164528343867
Energy: 1.082382755871946
Energy: 1.1232759093786209
Energy: 1.2836858601399368
Energy: 1.4138737297074178
Energy: 1.2836858601399368
Energy: 1.1232759093786209
Energy: 1.2836858601399368
Energy: 1.7922090013166214
Energy: 1.0868215564652957
Energy: 1.0656437716695792
Energy: 1.0868215564631936
Energy: 1.7922090013187237
Energy: 1.0868215564631936
Energy: 1.1236212415056832
Energy: 1.6412385583447124
Energy: 1.068571409221684
Energy: 1.6412385583468143
Energy: 1.1236212415056832
Energy: 1.641238558351019
Energy: 1.122769892315431
Energy: 1.1209520664495554
Energy: 1.06629594254076
Energy: 1.1209520664495554
Energy: 1.122769892315431
Energy: 1.1209520664495554
Energy: 1.8787205679797183
Energy: 1.0867074231436546
Energy: 1.0688466451118985
Energy: 1.0867074231436546
Energy: 1.8787205679797183
Energy: 1.0867074231436546
Energy: 1.1222853866723743
Energy: 1.0829483376749773
Energy: 1.0663411459244734
Energy: 1.082948337672875
Energy: 1.1222853866723743
Energy: 1.0829483376749773
Energy: 1.7926378723481606
Energy: 1.1078652322971596
Energy: 1.0685864054430434
Energy: 1.1078652322950575
Energy: 1.792637872350263
Energy: 1.1078652322950575
Energy: 1.122202603773975
Energy: 1.6230254636578223
Energy: 1.067499668395527
Energy: 1.6230254636578223
Energy: 1.122202603773975
Energy: 1.6230254636578223
Energy: 1.8144429810153002
Energy: 1.0882540990056366
Energy: 1.0684068808187632
Energy: 1.0882540990056366
Energy: 1.8144429810153002
Energy: 1.0882540990056366
Energy: 1.122550222702163
Energy: 1.2832389841220402
Energy: 1.8339016054637864
Energy: 1.2832389841220402
Energy: 1.122550222702163
Energy: 1.2832389841220402
Energy: 1.8139594459508988
Energy: 1.088225143465221
Energy: 1.0684002434453506
Energy: 1.088225143465221
Energy: 1.8139594459508988
Energy: 1.088225143465221
Energy: 1.1222209042013218
Energy: 1.6229659492406312
Energy: 1.0675804858631257
Energy: 1.6229659492406312
Energy: 1.1222209042013218
Energy: 1.6229659492427333

minimum gb energy = 1.0655030962106131 eV
minimum distance =  2.26860643272956 Angstroms
sigma value = 11


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

Energy: 1.9224812696321365
Energy: 1.8519639246741593
Energy: 2.060336649114374
Energy: 1.8519639247600217
Energy: 1.9224812696321365
Energy: 1.8519639247166182
Energy: 1.784493241885302
Energy: 1.840489911192445
Energy: 1.3407639916285738
Energy: 1.840489911192445
Energy: 1.784493241885302
Energy: 1.840489911192445
Energy: 1.340916885096933
Energy: 1.5401227535760869
Energy: 1.342982341376306
Energy: 1.5401227535760869
Energy: 1.340916885096933
Energy: 1.5401227535760869
Energy: 1.35900491733827
Energy: 1.413513308260427
Energy: 1.3407353412885474
Energy: 1.413513308260427
Energy: 1.3590049173391723
Energy: 1.413513308260427
Energy: 1.6746305405756714
Energy: 1.6345259640038143
Energy: 1.3618063697403668
Energy: 1.6345259640028909
Energy: 1.6746305405756714
Energy: 1.6345259640038143
Energy: 1.3854471380653575
Energy: 1.653010961251219
Energy: 1.6768603642785223
Energy: 1.653010961251219
Energy: 1.3854471380653575
Energy: 1.653010961251219
Energy: 1.3594250334316627
Energy: 1.8174758620254905
Energy: 1.3823251643240515
Energy: 1.8174758620254905
Energy: 1.359425033430739
Energy: 1.8174758620254905
Energy: 1.3415666634301833
Energy: 1.412865029647982
Energy: 1.4503784147666967
Energy: 1.412865029647982
Energy: 1.3415666634301833
Energy: 1.412865029647982
Energy: 1.67288121081236
Energy: 1.475125178480431
Energy: 1.340415774483215
Energy: 1.475125178480431
Energy: 1.6728812108132836
Energy: 1.475125178480431
Energy: 1.3421296771494684
Energy: 1.8412383752876145
Energy: 1.477281712218691
Energy: 1.8412383752894614
Energy: 1.3421296771485447
Energy: 1.8412383752885382
Energy: 1.6094727646426603
Energy: 1.8844812616566673
Energy: 1.7156507569709385
Energy: 1.8844812616566673
Energy: 1.6094727646426603
Energy: 1.8844812616566673
Energy: 1.3416762463284866
Energy: 1.5928097781866153
Energy: 1.7172201445103168
Energy: 1.5928097781847683
Energy: 1.3416762463284866
Energy: 1.592809778185692
Energy: 1.3402688843491712
Energy: 1.5487672310473344
Energy: 1.6709141578308049
Energy: 1.5487672310473344
Energy: 1.3402688843491712
Energy: 1.5487672310473344
Energy: 1.3587333008934717
Energy: 1.4752833459194794
Energy: 1.3596018945000214
Energy: 1.4752833459194794
Energy: 1.3587333008934717
Energy: 1.4752833459194794
Energy: 1.340413307999693
Energy: 1.717141516659029
Energy: 1.507091501839494
Energy: 1.717141516659029
Energy: 1.3404133079987695
Energy: 1.717141516659029
Energy: 1.9356348184136014
Energy: 1.818260591232325
Energy: 1.3822450659865955
Energy: 1.818260591232325
Energy: 1.9356348184136014
Energy: 1.8182605912332483
Energy: 1.382498707786686
Energy: 1.8188714047158814
Energy: 1.618967323036165
Energy: 1.8188714047158814
Energy: 1.382498707786686
Energy: 1.8188714047158814
Energy: 1.676668811499737
Energy: 1.7164895175656039
Energy: 1.3405789626641391
Energy: 1.7164895175656039
Energy: 1.676668811499737
Energy: 1.7164895175656039
Energy: 1.3625989767101065
Energy: 1.621617868217726
Energy: 1.35840524253477
Energy: 1.6216178682168023
Energy: 1.362598976709183
Energy: 1.6216178682168023
Energy: 1.3403938671711897
Energy: 1.5397723480555625
Energy: 1.3434848711950618
Energy: 1.5397723480555625
Energy: 1.3403938671711897
Energy: 1.5397723480555625
Energy: 1.7160260649186743
Energy: 1.5964898126652025
Energy: 1.340923915945876
Energy: 1.596489812664279
Energy: 1.7160260649186743
Energy: 1.5964898126652025
Energy: 1.718067718708662
Energy: 1.8562637724574889
Energy: 1.599156498858599
Energy: 1.8562637724574889
Energy: 1.718067718708662
Energy: 1.8562637724574889
Energy: 1.6277293757629152
Energy: 1.8427700408702337
Energy: 1.34078136656053
Energy: 1.8427700408711574
Energy: 1.6277293757629152
Energy: 1.8427700408711574
Energy: 1.340300051928725
Energy: 1.4747131475463953
Energy: 1.6772831951098568
Energy: 1.4747131475454722
Energy: 1.340300051928725
Energy: 1.4747131475454722
Energy: 1.4520841229256574
Energy: 1.4128923639444861
Energy: 1.3406364884249264
Energy: 1.4128923639444861
Energy: 1.4520841229256574
Energy: 1.4128923639444861
Energy: 1.3824348997228988
Energy: 1.753146440787091
Energy: 1.3588121791018621
Energy: 1.7531464407861674
Energy: 1.3824348997228988
Energy: 1.7531464407861674
Energy: 1.674600165681493
Energy: 1.6511200480280375
Energy: 1.6744935819829745
Energy: 1.6511200480280375
Energy: 1.674600165681493
Energy: 1.6511200480280375
Energy: 1.3587457170806925
Energy: 1.6369637870618443
Energy: 1.3860336803849933
Energy: 1.6369637870618443
Energy: 1.3587457170806925
Energy: 1.6369637870618443
Energy: 1.3446540934007247
Energy: 1.4132548734650123
Energy: 1.359126531603788
Energy: 1.4132548734650123
Energy: 1.3446540934007247
Energy: 1.4132548734650123
Energy: 1.3403897615776073
Energy: 1.54163557058085
Energy: 1.3421847119118184
Energy: 1.54163557058085
Energy: 1.3403897615776073
Energy: 1.54163557058085
Energy: 1.3403937962018015
Energy: 1.8428700588202005
Energy: 1.7836685042517686
Energy: 1.8428700588202005
Energy: 1.340393796202725
Energy: 1.8428700588202005

minimum gb energy = 1.3402688843491712 eV
minimum distance =  2.23841898792996 Angstroms
sigma value = 57


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

Energy: 1.4883347078536613
Energy: 1.5166128467548476
Energy: 1.6808440897556065
Energy: 1.5166128467548476
Energy: 1.4883347078536613
Energy: 1.5166128467548476
Energy: 1.4843404785451222
Energy: 1.6161318459998106
Energy: 1.4287627397816478
Energy: 1.4872084336343714
Energy: 1.4843404785451222
Energy: 1.4784822853663206
Energy: 1.4294210362478155
Energy: 1.5069060167662796
Energy: 1.4280855198649478
Energy: 1.5069060167662796
Energy: 1.4294210362478155
Energy: 1.5069060167662796
Energy: 1.4283143691784141
Energy: 1.6159484889607267
Energy: 1.428699394327238
Energy: 1.6239638715792846
Energy: 1.4283143691767708
Energy: 1.615948488975517
Energy: 1.4280605202498515
Energy: 1.5066941965291738
Energy: 1.4292937179070009
Energy: 1.5066941965291738
Energy: 1.4280605202498515
Energy: 1.5066941965291738
Energy: 1.4284314259668374
Energy: 1.4869396723926547
Energy: 1.4844968806592405
Energy: 1.4869396723926547
Energy: 1.4284314259668374
Energy: 1.4869396723926547
Energy: 1.6808440897556065
Energy: 1.5166128467548476
Energy: 1.4883347078536613
Energy: 1.5166128467548476
Energy: 1.6808440897556065
Energy: 1.5166128467548476
Energy: 1.4287627397816478
Energy: 1.6161318459998106
Energy: 1.4843404785451222
Energy: 1.6161318459998106
Energy: 1.4287627397832912
Energy: 1.4872084336343714
Energy: 1.4280855198649478
Energy: 1.5069060167662796
Energy: 1.4294210362478155
Energy: 1.5069060167662796
Energy: 1.4280855198649478
Energy: 1.5069060167662796
Energy: 1.4286993943288813
Energy: 1.6239638711555253
Energy: 1.4283143691784141
Energy: 1.6239638709452515
Energy: 1.4286993943288813
Energy: 1.5433351080409738
Energy: 1.4292937179086442
Energy: 1.5066941965291738
Energy: 1.4280605202498515
Energy: 1.5066941965291738
Energy: 1.4292937179070009
Energy: 1.5066941965291738
Energy: 1.4844968806592405
Energy: 1.4869396723926547
Energy: 1.428431425965194
Energy: 1.4869396723926547
Energy: 1.4844968806592405
Energy: 1.4869396723926547
Energy: 1.4883347078536613
Energy: 1.5166128467548476
Energy: 1.846005760770756
Energy: 1.5166128467548476
Energy: 1.4883347078536613
Energy: 1.5166128467548476
Energy: 1.4843404785451222
Energy: 1.4872084336343714
Energy: 1.4287627397816478
Energy: 1.487208433632728
Energy: 1.4843404785451222
Energy: 1.4872084336343714
Energy: 1.4294210362478155
Energy: 1.5069060167662796
Energy: 1.4280855198649478
Energy: 1.5069060167662796
Energy: 1.4294210362478155
Energy: 1.5069060167662796
Energy: 1.4283143691784141
Energy: 1.5433351080442603
Energy: 1.428699394327238
Energy: 1.5433351080442603
Energy: 1.4283143691784141
Energy: 1.6239638703654116
Energy: 1.4280605202498515
Energy: 1.5066941965291738
Energy: 1.4292937179086442
Energy: 1.5066941965291738
Energy: 1.4280605202498515
Energy: 1.5066941965291738

minimum gb energy = 1.4280605202498515 eV
minimum distance =  2.28426902049099 Angstroms
sigma value = 9


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

Energy: 1.5987218300003903
Energy: 1.6619363526293955
Energy: 1.6946766402986462
Energy: 1.6619363526293955
Energy: 1.5987218300003903
Energy: 1.6619363526293955
Energy: 1.5056397937970198
Energy: 1.6028356359218354
Energy: 1.464455381110499
Energy: 1.6028356359231772
Energy: 1.5056397937970198
Energy: 1.6028356359231772
Energy: 1.504140333421095
Energy: 1.5926940070065876
Energy: 1.4675516254841139
Energy: 1.5926940070065876
Energy: 1.504140333421095
Energy: 1.592694007005246
Energy: 1.4843599334226014
Energy: 1.5334482727565797
Energy: 1.5031708109380983
Energy: 1.5334482727565797
Energy: 1.4843599334226014
Energy: 1.5334482727565797
Energy: 1.4665822528845847
Energy: 1.604445752476591
Energy: 1.4671269646799732
Energy: 1.604445752476591
Energy: 1.4665822528845847
Energy: 1.604445752476591
Energy: 1.4844526447828084
Energy: 1.5133545207359902
Energy: 1.5541601692297955
Energy: 1.5133545207359902
Energy: 1.4844526447828084
Energy: 1.5133545207359902
Energy: 1.4881253482623038
Energy: 1.6004607593226585
Energy: 1.4670882042291273
Energy: 1.600460759321317
Energy: 1.4881253482623038
Energy: 1.600460759321317
Energy: 1.5251986117730798
Energy: 1.6451114132565683
Energy: 1.4644182471167002
Energy: 1.6451114132552567
Energy: 1.5251986117730798
Energy: 1.6451114132552567
Energy: 1.5234795838312165
Energy: 1.5959746165737845
Energy: 1.4776010950209864
Energy: 1.5959746165737845
Energy: 1.5234795838312165
Energy: 1.5959746165737845
Energy: 1.592584577761634
Energy: 1.6717435580671816
Energy: 1.464120260777085
Energy: 1.6717435580685231
Energy: 1.592584577761634
Energy: 1.6717435580685231
Energy: 1.4877564747652257
Energy: 1.5141931343813781
Energy: 1.4776088571225925
Energy: 1.5141931343827202
Energy: 1.4877564747652257
Energy: 1.5141931343827202
Energy: 1.4844952529256865
Energy: 1.5290677362979301
Energy: 1.5041425622941709
Energy: 1.5290677362979301
Energy: 1.4844952529256865
Energy: 1.5290677362979301
Energy: 1.486998611029253
Energy: 1.5935787143218954
Energy: 1.5306686420462583
Energy: 1.593578714323237
Energy: 1.486998611029253
Energy: 1.593578714323237
Energy: 1.4848074714884438
Energy: 1.5151314503242932
Energy: 1.4746711899909117
Energy: 1.5151314503242932
Energy: 1.4848074714884438
Energy: 1.5151314503242932
Energy: 1.5945935642421105
Energy: 1.6704317686176982
Energy: 1.4837052587957449
Energy: 1.67043176861904
Energy: 1.5945935642421105
Energy: 1.67043176861904
Energy: 1.5217245889517397
Energy: 1.5891229762279377
Energy: 1.4741983912984273
Energy: 1.589122976226596
Energy: 1.5217245889530817
Energy: 1.589122976226596
Energy: 1.5216202498621085
Energy: 1.5895026340263063
Energy: 1.4718187951414692
Energy: 1.5895026340249645
Energy: 1.521620249860767
Energy: 1.589502634027648
Energy: 1.5699789958596655
Energy: 1.6010896485078017
Energy: 1.4639108422617277
Energy: 1.601089648509113
Energy: 1.5699789958596655
Energy: 1.601089648509113
Energy: 1.4882586540005847
Energy: 1.5145260634039697
Energy: 1.5672282354227867
Energy: 1.5145260634053115
Energy: 1.4882586540005847
Energy: 1.5145260634053115
Energy: 1.4847335600605234
Energy: 1.600230411973317
Energy: 1.4643180837932241
Energy: 1.600230411973317
Energy: 1.4847335600605234
Energy: 1.600230411973317
Energy: 1.4882506498729704
Energy: 1.5285427247831123
Energy: 1.5095337929939165
Energy: 1.5285427247831123
Energy: 1.4882506498729704
Energy: 1.5285427247831123

minimum gb energy = 1.4639108422617277 eV
minimum distance =  2.28553157626318 Angstroms
sigma value = 27


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

Energy: 1.646215335663559
Energy: 1.5436440992448734
Energy: 1.7121049483761086
Energy: 1.5436440992448734
Energy: 1.646215335662428
Energy: 1.5436440992460043
Energy: 1.4933516048471909
Energy: 1.7466429922995403
Energy: 1.5081206660919766
Energy: 1.7466429923006714
Energy: 1.4933516048483215
Energy: 1.7466429922995403
Energy: 1.4823740156538487
Energy: 1.6745167745757117
Energy: 1.5085744733408124
Energy: 1.6745167745757117
Energy: 1.4823740156538487
Energy: 1.6745167745757117
Energy: 1.4773594711230902
Energy: 1.6114631449579466
Energy: 1.5019242833570117
Energy: 1.6114631449579466
Energy: 1.477359471121959
Energy: 1.6114631449568158
Energy: 1.4583736576558664
Energy: 1.6224953923404497
Energy: 1.4646616042767118
Energy: 1.6224953923404497
Energy: 1.4583736576558664
Energy: 1.6224953923404497
Energy: 1.5110129405746466
Energy: 1.5499317038241354
Energy: 1.4843833416885854
Energy: 1.5499317038252662
Energy: 1.5110129405746466
Energy: 1.5499317038230045
Energy: 1.4756818702505872
Energy: 1.5585058878368523
Energy: 1.4772055317310062
Energy: 1.5585058878368523
Energy: 1.4756818702505872
Energy: 1.5585058878368523
Energy: 1.4773528015596635
Energy: 1.5955296418613611
Energy: 1.4771428880696162
Energy: 1.5955296418613611
Energy: 1.4773528015607946
Energy: 1.59552964186023
Energy: 1.5088007676572563
Energy: 1.628533120822455
Energy: 1.6045993204877984
Energy: 1.6285331208235858
Energy: 1.5088007676572563
Energy: 1.628533120822455
Energy: 1.4800002875562996
Energy: 1.7084584501253601
Energy: 1.5033349039338708
Energy: 1.7084584501253601
Energy: 1.4800002875562996
Energy: 1.7084584501253601
Energy: 1.4778395556833444
Energy: 1.6475815344242553
Energy: 1.5029272120846913
Energy: 1.6475815344242553
Energy: 1.4778395556833444
Energy: 1.6475815344231242
Energy: 1.5079175635365798
Energy: 1.6324713843154228
Energy: 1.532176077320575
Energy: 1.6324713843154228
Energy: 1.5079175635365798
Energy: 1.6324713843154228
Energy: 1.4727299906484443
Energy: 1.6502874309024795
Energy: 1.477071632695304
Energy: 1.6502874309024795
Energy: 1.4727299906484443
Energy: 1.6502874309024795
Energy: 1.4662387766983256
Energy: 1.6304637105035944
Energy: 1.4772699168383983
Energy: 1.6304637105035944
Energy: 1.4662387766983256
Energy: 1.6304637105047257
Energy: 1.5043786650864115
Energy: 1.5606816284331968
Energy: 1.484233834496081
Energy: 1.560681628434328
Energy: 1.5043786650864115
Energy: 1.560681628434328
Energy: 1.4565287530250086
Energy: 1.6224953923404497
Energy: 1.4648536500414473
Energy: 1.6224953923404497
Energy: 1.4565287530250086
Energy: 1.6224953923404497
Energy: 1.5093023497478846
Energy: 1.6447650673561316
Energy: 1.4698585368325168
Energy: 1.6447650673561316
Energy: 1.5093023497478846
Energy: 1.6447650673561316
Energy: 1.4822163653685834
Energy: 1.709241295527097
Energy: 1.508088361018131
Energy: 1.7092412955259662
Energy: 1.4822163653685834
Energy: 1.7092412955259662
Energy: 1.4852141491907367
Energy: 1.662213713851569
Energy: 1.5085438538683291
Energy: 1.6622137138470447
Energy: 1.4852141491907367
Energy: 1.6622137138526998
Energy: 1.646215335662428
Energy: 1.5436440992460043
Energy: 1.6228080132802725
Energy: 1.5436440992448734
Energy: 1.646215335662428
Energy: 1.5436440992448734
Energy: 1.4933516048471909
Energy: 1.7466429922995403
Energy: 1.5081206660919766
Energy: 1.7466429922995403
Energy: 1.4933516048471909
Energy: 1.7466429922995403
Energy: 1.4823740156538487
Energy: 1.6745167745757117
Energy: 1.5085744733408124
Energy: 1.6745167745757117
Energy: 1.4823740156527176
Energy: 1.6745167745757117
Energy: 1.4773594711230902
Energy: 1.6114631449568158
Energy: 1.5019242833581425
Energy: 1.6114631449568158
Energy: 1.4773594711230902
Energy: 1.611463144959078
Energy: 1.4583736576558664
Energy: 1.6224953923404497
Energy: 1.4646616042767118
Energy: 1.6224953923404497
Energy: 1.4583736576558664
Energy: 1.6224953923404497
Energy: 1.5110129405746466
Energy: 1.5499317038241354
Energy: 1.4843833416885854
Energy: 1.5499317038241354
Energy: 1.5110129405746466
Energy: 1.5499317038241354

minimum gb energy = 1.4565287530250086 eV
minimum distance =  2.27631441436958 Angstroms
sigma value = 19


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

Energy: 1.6591448890560165
Energy: 1.517632563348357
Energy: 1.6189289076482845
Energy: 1.5176325633493333
Energy: 1.6591448890560165
Energy: 1.517632563348357
Energy: 1.4380339370792037
Energy: 1.5829008025993503
Energy: 1.4015751350358372
Energy: 1.582900802598374
Energy: 1.4380339370792037
Energy: 1.5829008025993503
Energy: 1.4060146704710212
Energy: 1.5945396909117355
Energy: 1.4019161375395397
Energy: 1.5945396909127119
Energy: 1.4060146704710212
Energy: 1.5945396909127119
Energy: 1.3997371635723987
Energy: 1.6647329132664235
Energy: 1.4421202742542207
Energy: 1.6647329132664235
Energy: 1.3997371635723987
Energy: 1.6647329132664235
Energy: 1.4025595491214284
Energy: 1.5205136853103154
Energy: 1.411827858684404
Energy: 1.520513685309339
Energy: 1.4025595491214284
Energy: 1.520513685309339
Energy: 1.4074762036837305
Energy: 1.5213478184334828
Energy: 1.4117635504683317
Energy: 1.5213478184334828
Energy: 1.4074762036827542
Energy: 1.5213478184325064
Energy: 1.38847346342032
Energy: 1.5883662148587154
Energy: 1.411805299693727
Energy: 1.5883662148587154
Energy: 1.38847346342032
Energy: 1.5883662148587154
Energy: 1.4073928304904355
Energy: 1.5199904854263226
Energy: 1.411503844166222
Energy: 1.5199904854253685
Energy: 1.4073928304904355
Energy: 1.5199904854253685
Energy: 1.3998409346689842
Energy: 1.5720635171324244
Energy: 1.446899778055252
Energy: 1.5720635171324244
Energy: 1.3998409346689842
Energy: 1.5720635171324244
Energy: 1.3997090185082999
Energy: 1.6263565786908303
Energy: 1.4023333116467174
Energy: 1.6263565786908303
Energy: 1.3997090185082999
Energy: 1.6263565786908303
Energy: 1.4073735472367568
Energy: 1.5953414523871903
Energy: 1.4184191348515065
Energy: 1.5953414523871903
Energy: 1.4073735472367568
Energy: 1.5953414523862142
Energy: 1.420222968577988
Energy: 1.6581382678539296
Energy: 1.4156391273420192
Energy: 1.6581382678539296
Energy: 1.420222968577988
Energy: 1.6581382678549057
Energy: 1.4191064193926637
Energy: 1.6753332539544672
Energy: 1.4022339382263462
Energy: 1.6753332539554435
Energy: 1.4191064193916874
Energy: 1.6753332539554435
Energy: 1.4226355223493692
Energy: 1.6076985378963118
Energy: 1.4440337492138011
Energy: 1.6076985378972881
Energy: 1.4226355223493692
Energy: 1.6076985378972881
Energy: 1.3999612645649766
Energy: 1.595796288006214
Energy: 1.406275910760076
Energy: 1.5957962880052377
Energy: 1.399961264565953
Energy: 1.5957962880052377
Energy: 1.3995817008430744
Energy: 1.5881737475657351
Energy: 1.3844820777630527
Energy: 1.5881737475657351
Energy: 1.3995817008430744
Energy: 1.5881737475657351
Energy: 1.4135640938117298
Energy: 1.5435826873923384
Energy: 1.4005570830034237
Energy: 1.5435826873933147
Energy: 1.4135640938117298
Energy: 1.5435826873933147
Energy: 1.3855142636593247
Energy: 1.571225445573635
Energy: 1.3851415289215623
Energy: 1.571225445573635
Energy: 1.3855142636593247
Energy: 1.571225445573635
Energy: 1.4134647468000696
Energy: 1.54828339749001
Energy: 1.4004550074408544
Energy: 1.54828339749001
Energy: 1.4134647467990933
Energy: 1.54828339749001
Energy: 1.3995873443605058
Energy: 1.5667323384603427
Energy: 1.3845406500107138
Energy: 1.5667323384603427
Energy: 1.3995873443605058
Energy: 1.5667323384603427
Energy: 1.4000317518406078
Energy: 1.6623955619108572
Energy: 1.4019570346090118
Energy: 1.6623955619118336
Energy: 1.4000317518406078
Energy: 1.6623955619118336
Energy: 1.4168034698764962
Energy: 1.5675081357903085
Energy: 1.4447338902198956
Energy: 1.5675081357903085
Energy: 1.4168034698764962
Energy: 1.5675081357903085
Energy: 1.4552346059567216
Energy: 1.7337268682077864
Energy: 1.4070790305914418
Energy: 1.7337268682077864
Energy: 1.4552346059567216
Energy: 1.7337268682077864
Energy: 1.4553661274650493
Energy: 1.6072910751987435
Energy: 1.3996466110446435
Energy: 1.6072910751987435
Energy: 1.4553661274650493
Energy: 1.6072910751987435
Energy: 1.4317478635387653
Energy: 1.6386672447088273
Energy: 1.4067902524980098
Energy: 1.6386672447098036
Energy: 1.4317478635387653
Energy: 1.6386672447098036
Energy: 1.3995801251836946
Energy: 1.6339698904095945
Energy: 1.4016105290307277
Energy: 1.6339698904095945
Energy: 1.3995801251836946
Energy: 1.6339698904095945
Energy: 1.3998956071992614
Energy: 1.4988809908567395
Energy: 1.4454046287796891
Energy: 1.4988809908567395
Energy: 1.3998956071992614
Energy: 1.4988809908567395
Energy: 1.4007602518615905
Energy: 1.5199996962139957
Energy: 1.4117147135876293
Energy: 1.5199996962139957
Energy: 1.4007602518615905
Energy: 1.5199996962139957
Energy: 1.3885469471359893
Energy: 1.5705576144647697
Energy: 1.411432604039137
Energy: 1.5705576144657458
Energy: 1.3885469471359893
Energy: 1.5705576144657458

minimum gb energy = 1.3844820777630527 eV
minimum distance =  2.27012412622877 Angstroms
sigma value = 101


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

Energy: 1.5166547718711156
Energy: 1.4737741835959575
Energy: 1.547791221513449
Energy: 1.4737741835959575
Energy: 1.5166547718711156
Energy: 1.4737741835959575
Energy: 1.3538697069356846
Energy: 1.6014330304558622
Energy: 1.3389738653904055
Energy: 1.6014330304558622
Energy: 1.3538697069356846
Energy: 1.6014330304558622
Energy: 1.3347787358721843
Energy: 1.523705083641759
Energy: 1.3384129854108042
Energy: 1.523705083641759
Energy: 1.3347787358730034
Energy: 1.523705083641759
Energy: 1.316723722068163
Energy: 1.5714416966188576
Energy: 1.33373300537158
Energy: 1.507226347914142
Energy: 1.316723722068163
Energy: 1.5349147356781476
Energy: 1.3172688122964022
Energy: 1.5033935856716245
Energy: 1.3442023068900495
Energy: 1.5033935856716245
Energy: 1.3172688122972604
Energy: 1.5033935856707663
Energy: 1.3349839665287642
Energy: 1.542973135413394
Energy: 1.3173741394326073
Energy: 1.542973135413394
Energy: 1.3349839665287642
Energy: 1.542973135413394
Energy: 1.3342621218184554
Energy: 1.5651506027751345
Energy: 1.3167328062251007
Energy: 1.5651506027742765
Energy: 1.3342621218184554
Energy: 1.5651506027742765
Energy: 1.3334797373821898
Energy: 1.5755220314830276
Energy: 1.3351213956977195
Energy: 1.574199079630769
Energy: 1.3334797373821898
Energy: 1.5755220314830276
Energy: 1.3171457724631805
Energy: 1.5201320868019796
Energy: 1.334561203800502
Energy: 1.5201320868019796
Energy: 1.3171457724631805
Energy: 1.5201320868019796
Energy: 1.316671488761621
Energy: 1.5037820724387967
Energy: 1.3171660186714191
Energy: 1.5037820724387967
Energy: 1.3166714887607631
Energy: 1.5037820724387967
Energy: 1.3723448678944614
Energy: 1.526650729357509
Energy: 1.4156444285876657
Energy: 1.526650729357509
Energy: 1.3723448678953194
Energy: 1.526650729357509
Energy: 1.3387965267639244
Energy: 1.5423449333855248
Energy: 1.3177736826660864
Energy: 1.5423449333855248
Energy: 1.3387965267647826
Energy: 1.5423449333855248
Energy: 1.3384626355258467
Energy: 1.5295032867649898
Energy: 1.3634484372906035
Energy: 1.5295032867649898
Energy: 1.3384626355258467
Energy: 1.5295032867649898
Energy: 1.3338970295662325
Energy: 1.5023674412635888
Energy: 1.3667633327310307
Energy: 1.4973193155636852
Energy: 1.3338970295662325
Energy: 1.5023674412635888
Energy: 1.3170544118741652
Energy: 1.6998624205163626
Energy: 1.3647828801658357
Energy: 1.6998624205163626
Energy: 1.3170544118741652
Energy: 1.6998624205163626
Energy: 1.3391311581039473
Energy: 1.5284542408200097
Energy: 1.3350202715651922
Energy: 1.5284542408191517
Energy: 1.3391311581030894
Energy: 1.5284542408200097
Energy: 1.3168205467058816
Energy: 1.5454240826851782
Energy: 1.317324079842506
Energy: 1.5454240826851782
Energy: 1.3168205467058816
Energy: 1.5454240826843202
Energy: 1.3352684956034289
Energy: 1.5805269378907172
Energy: 1.3167343251265644
Energy: 1.5805269378907172
Energy: 1.3352684956025704
Energy: 1.5805269378907172
Energy: 1.3168439975356145
Energy: 1.5295603868906607
Energy: 1.3334127861443321
Energy: 1.5295603868906607
Energy: 1.3168439975347563
Energy: 1.5295603868906607
Energy: 1.332564478764667
Energy: 1.5657669904311131
Energy: 1.31684066327819
Energy: 1.5657669904311131
Energy: 1.332564478764667
Energy: 1.5657669904311131
Energy: 1.3505907701681585
Energy: 1.4515812424501549
Energy: 1.3337541310797902
Energy: 1.4515812424501549
Energy: 1.3505907701681585
Energy: 1.4515812424501549
Energy: 1.317297384462838
Energy: 1.5215802792767106
Energy: 1.3165962044421913
Energy: 1.5215802792767106
Energy: 1.317297384462838
Energy: 1.5215802792767106
Energy: 1.3289836090095446
Energy: 1.5085283187967777
Energy: 1.3172742986546568
Energy: 1.5085283187967777
Energy: 1.3289836090095446
Energy: 1.5085283187967777
Energy: 1.3167098109607345
Energy: 1.5559798287998734
Energy: 1.381198627806163
Energy: 1.5559798287998734
Energy: 1.3167098109607345
Energy: 1.5559798287998734
Energy: 1.317128866319014
Energy: 1.5995711789025193
Energy: 1.3170462286552385
Energy: 1.5995711789025193
Energy: 1.317128866319014
Energy: 1.5995711789025193
Energy: 1.3646112412320788
Energy: 1.4460445413235838
Energy: 1.339448661901128
Energy: 1.4460445413235838
Energy: 1.3646112412320788
Energy: 1.446044541324442
Energy: 1.3647417681911969
Energy: 1.6612742983669393
Energy: 1.3211403800841546
Energy: 1.661274298366081
Energy: 1.3647417681920553
Energy: 1.6612742983669393
Energy: 1.364655076716478
Energy: 1.7016001352943388
Energy: 1.3168820669549122
Energy: 1.7016001352943388
Energy: 1.36465507671562
Energy: 1.7016001352943388
Energy: 1.4068372885228484
Energy: 1.4453048047175872
Energy: 1.4328231178373558
Energy: 1.4453048047175872
Energy: 1.4068372885228484
Energy: 1.4453048047184454
Energy: 1.3166974087242098
Energy: 1.5411578992526318
Energy: 1.336611117209424
Energy: 1.5411578992534898
Energy: 1.3166974087242098
Energy: 1.5411578992517736
Energy: 1.3166474660681449
Energy: 1.5558796252967841
Energy: 1.3505678154859544
Energy: 1.5558796252959257
Energy: 1.316647466069003
Energy: 1.5558796252959257
Energy: 1.3647340578951626
Energy: 1.526818495610434
Energy: 1.3174528352663575
Energy: 1.526818495610434
Energy: 1.3647340578951626
Energy: 1.526818495611292
Energy: 1.3174293463276276
Energy: 1.565086113575937
Energy: 1.3289692122930123
Energy: 1.565086113575937
Energy: 1.3174293463276276
Energy: 1.565086113575937

minimum gb energy = 1.3165962044421913 eV
minimum distance =  2.28047837170027 Angstroms
sigma value = 33


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

Energy: 0.015046509104729303
Energy: 0.01585647070570589
Energy: 1.3237069360614786
Energy: 0.01585647070570589
Energy: 0.015046509104729303
Energy: 0.01585647070570589
Energy: 0.015407847298079947
Energy: 0.700918422627342
Energy: 0.015407847298079947
Energy: 0.7009184226266686
Energy: 0.015407847298079947
Energy: 0.7009184226266686
Energy: 1.5187927059455517
Energy: 0.01585647070570589
Energy: 0.015046509104729303
Energy: 0.01585647070570589
Energy: 1.5187927059455517
Energy: 0.01585647070570589
Energy: 0.015407847298079947
Energy: 0.7009184226266686
Energy: 0.015407847298079947
Energy: 0.7009184226266686
Energy: 0.015407847298079947
Energy: 0.7009184226266686

minimum gb energy = 0.015046509104729303 eV
minimum distance =  2.44720252300289 Angstroms
sigma value = 1