Model name: model_name=EAM_Dynamo_PunMishin_2009_NiAl__MO_751354403791_005
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.52000005543232
cohesive_energy=4.4278017536966265
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -0.022546436667 eV

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

Energy: 0.018067830000039756
Energy: 1.2956890435703932
Energy: 0.018067830000039756
Energy: 1.2956890435700623
Energy: 0.018067830000039756
Energy: 1.2956890435700623
Energy: 1.2956890435703932
Energy: 1.1751968186849342
Energy: 1.2956890435700623
Energy: 1.1751968186849342
Energy: 1.2956890435703932
Energy: 1.1751968186846036
Energy: 0.018067830000039756
Energy: 1.2956890435700623
Energy: 0.018067830000039756
Energy: 1.2956890435700623
Energy: 0.018067829999745745
Energy: 1.2956890435703932
Energy: 1.2956890435700623
Energy: 1.1751968186842727
Energy: 1.2956890435697683
Energy: 1.1751968186849342
Energy: 1.2956890435703932
Energy: 1.1751968186842727
Energy: 0.018067829999745745
Energy: 1.2956890435703932
Energy: 0.018067829999745745
Energy: 1.2956890435700623
Energy: 0.01806782999941498
Energy: 1.2956890435703932
Energy: 1.2956890435700623
Energy: 1.1751968186846036
Energy: 1.2956890435700623
Energy: 1.1751968186842727
Energy: 1.2956890435700623
Energy: 1.1751968186842727

minimum gb energy = 0.01806782999941498 eV
minimum distance =  2.25772923387984 Angstroms
sigma value = 1


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

Energy: 1.4205889872856492
Energy: 1.3549841507705076
Energy: 1.420588987284853
Energy: 1.3549841507697116
Energy: 1.4205889872872413
Energy: 1.3549841507697116
Energy: 1.5154346568232442
Energy: 1.2624039959756577
Energy: 1.5149876867504746
Energy: 1.2624039959756577
Energy: 1.2762948526949502
Energy: 1.2624039959756577
Energy: 1.33272171064045
Energy: 1.417230323413227
Energy: 1.3327217106412463
Energy: 1.4172303234180044
Energy: 1.33272171064045
Energy: 1.4172303234172083
Energy: 1.5440043453466656
Energy: 1.3227309897270387
Energy: 1.544004345347462
Energy: 1.3227309897270387
Energy: 1.5440043453442769
Energy: 1.3227309897278348
Energy: 1.3551388243912175
Energy: 1.4753433022599665
Energy: 1.3551388243928097
Energy: 1.4753433022583742
Energy: 1.3551388243904214
Energy: 1.4753433022599665
Energy: 1.4571622449301171
Energy: 1.2771766196811676
Energy: 1.4571622449317096
Energy: 1.2771766196787793
Energy: 1.4571622449309134
Energy: 1.2771766196803715
Energy: 1.3405391085065843
Energy: 1.3860469008792193
Energy: 1.3405391085018794
Energy: 1.3860469008792193
Energy: 1.3405391085018794
Energy: 1.3860469008879774
Energy: 1.310072677967732
Energy: 1.4879326655823668
Energy: 1.3100726779725091
Energy: 1.4879326655823668
Energy: 1.310072677967732
Energy: 1.4879326655807743
Energy: 1.4696172431033931
Energy: 1.3945770122925716
Energy: 1.4696172431033931
Energy: 1.3945770122925716
Energy: 1.4696172431025971
Energy: 1.3945770122925716
Energy: 1.2499045815433716
Energy: 1.4657782766740848
Energy: 1.2499045815465564
Energy: 1.4657782766812504
Energy: 1.2499045815457601
Energy: 1.465778276679658
Energy: 1.404637254440837
Energy: 1.2766432725213086
Energy: 1.4046372544416332
Energy: 1.2766432725221049
Energy: 1.4046372544416332
Energy: 1.2766432725221049
Energy: 1.241267453896013
Energy: 1.5302171979528818
Energy: 1.241267453896013
Energy: 1.530217197954474
Energy: 1.2412674538952166
Energy: 1.5302171979481043
Energy: 1.5660660311685017
Energy: 1.2169073919480249
Energy: 1.5660660311700942
Energy: 1.2169073919496172
Energy: 1.5660660311677057
Energy: 1.2169073919480249
Energy: 1.3064728051934087
Energy: 1.3409933787919734
Energy: 1.3064728051934087
Energy: 1.3409933787927697
Energy: 1.306472805194205
Energy: 1.3409933787943622
Energy: 1.5629339251360548
Energy: 1.2586953480987912
Energy: 1.5629339251400358
Energy: 1.2586953480979952
Energy: 1.5629339251376473
Energy: 1.2586953480987912
Energy: 1.5746306829161274
Energy: 1.4176470735813258
Energy: 1.5746306829161274
Energy: 1.4176470735837146
Energy: 1.5746306829153314
Energy: 1.4176470735853068
Energy: 1.3649716468907205
Energy: 1.3768380353106002
Energy: 1.3649716468859436
Energy: 1.3768380353106002
Energy: 1.3649716468883322
Energy: 1.3768380353113963
Energy: 1.3648463256569205
Energy: 1.338244598328059
Energy: 1.3648463256561243
Energy: 1.3382445983272628
Energy: 1.3648463256561243
Energy: 1.3382445983272628
Energy: 1.3301860795543197
Energy: 1.3217793134159086
Energy: 1.3227134731925783
Energy: 1.321779313414316
Energy: 1.3227134731893935
Energy: 1.3217793134151126
Energy: 1.4394324039503288
Energy: 1.2769330870219189
Energy: 1.4394324039535136
Energy: 1.2769330870219189
Energy: 1.4394324039495325
Energy: 1.2769330870227151
Energy: 1.284631193260638
Energy: 1.729259360521659
Energy: 1.2846311932622303
Energy: 1.7292593605232511
Energy: 1.2846311932630268
Energy: 1.7292593605232511
Energy: 1.4205587436255558
Energy: 1.3893310867711326
Energy: 1.4205587436271483
Energy: 1.3893310867711326
Energy: 1.4205587436255558
Energy: 1.3893310867711326
Energy: 1.2418708587095826
Energy: 1.5162982189034508
Energy: 1.2418708587079903
Energy: 1.5162982189042469
Energy: 1.2418708587087863
Energy: 1.5162982189058392

minimum gb energy = 1.2169073919480249 eV
minimum distance =  2.19551404733767 Angstroms
sigma value = 33


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

Energy: 1.4801784253242547
Energy: 1.4780962889831426
Energy: 1.4801784253238017
Energy: 1.4780962889826896
Energy: 1.4801784253242547
Energy: 1.478096288984501
Energy: 1.4937011535745457
Energy: 1.330188190475511
Energy: 1.4937011535722815
Energy: 1.330188190476417
Energy: 1.493701153573187
Energy: 1.330188190475964
Energy: 1.2652474625732764
Energy: 1.3285657346650117
Energy: 1.2652474625732764
Energy: 1.3285657346627473
Energy: 1.265247462571918
Energy: 1.3285657346668232
Energy: 1.447625092707892
Energy: 1.5122923092482647
Energy: 1.447625092707439
Energy: 1.5122923092482647
Energy: 1.4476250927087975
Energy: 1.5122923092482647
Energy: 1.3603329031476785
Energy: 1.4196941073492342
Energy: 1.3603329031413383
Energy: 1.4196941073478757
Energy: 1.360332903145414
Energy: 1.4196941073456113
Energy: 1.315940075496312
Energy: 1.2653257330339287
Energy: 1.3159400754881605
Energy: 1.2653257330407217
Energy: 1.315940075493142
Energy: 1.2653257330343817
Energy: 1.464088065671503
Energy: 1.4029514558023723
Energy: 1.4640880656764845
Energy: 1.402951455803278
Energy: 1.4640880656769375
Energy: 1.4029514558064482
Energy: 1.2330817200133157
Energy: 1.481252630951844
Energy: 1.2330817200128628
Energy: 1.4812526309455039
Energy: 1.2330817200137685
Energy: 1.481252630944598
Energy: 1.3144709664216583
Energy: 1.2696622134864555
Energy: 1.3144709664216583
Energy: 1.2696622134869084
Energy: 1.3144709664221113
Energy: 1.2696622134869084
Energy: 1.21813482841604
Energy: 1.5029737067075688
Energy: 1.2181348284178515
Energy: 1.5029737067084745
Energy: 1.2181348284173987
Energy: 1.5029737067102862
Energy: 1.557868181789088
Energy: 1.2218843979505776
Energy: 1.5578681817913524
Energy: 1.2218843979501248
Energy: 1.5578681817985982
Energy: 1.2218843979505776
Energy: 1.2660984369980102
Energy: 1.3981321918068312
Energy: 1.266098436998916
Energy: 1.3981321918068312
Energy: 1.2660984369971047
Energy: 1.3981321918059664
Energy: 1.404208825967634
Energy: 1.2403044690692533
Energy: 1.4042088259644638
Energy: 1.2403044690678946
Energy: 1.4042088259662753
Energy: 1.2403044690678946
Energy: 1.4030779702649516
Energy: 1.4677303365234975
Energy: 1.4030779702699332
Energy: 1.467730336525309
Energy: 1.4030779702672158
Energy: 1.4677303365280263
Energy: 1.3887964843029887
Energy: 1.3276780959607943
Energy: 1.3887964843007246
Energy: 1.3276780959635117
Energy: 1.3887964842998186
Energy: 1.3276780959653232
Energy: 1.2654966755713883
Energy: 1.3288615169219
Energy: 1.2654966755745587
Energy: 1.3288615169205413
Energy: 1.2654966755713883
Energy: 1.3288615169232587
Energy: 1.484926061330673
Energy: 1.4375961158057358
Energy: 1.4849260613311257
Energy: 1.4375961158057358
Energy: 1.4849260613315787
Energy: 1.4375961158061885
Energy: 1.3598397354131109
Energy: 1.2655403014436877
Energy: 1.3598397354072234
Energy: 1.2655403014423292
Energy: 1.3598397354140166
Energy: 1.265540301449122
Energy: 1.316950635524446
Energy: 1.326937010004398
Energy: 1.3169506355253517
Energy: 1.3269370100089266
Energy: 1.3169506355253517
Energy: 1.3269370100057565
Energy: 1.467116372296219
Energy: 1.4069024512999182
Energy: 1.4671163722948604
Energy: 1.4069024513003712
Energy: 1.4671163722944076
Energy: 1.4069024513003712
Energy: 1.2335751632753484
Energy: 1.4841075551501717
Energy: 1.2335751632739897
Energy: 1.4841075551189238
Energy: 1.2335751632758012
Energy: 1.484107555065979
Energy: 1.3284024953824782
Energy: 1.2695914391253016
Energy: 1.3281044258857848
Energy: 1.2695914391253016
Energy: 1.328075514607784
Energy: 1.2695914391253016
Energy: 1.2181976597447466
Energy: 1.5030503406208016
Energy: 1.2181976597442936
Energy: 1.5030503406248774
Energy: 1.2181976597447466
Energy: 1.5030503406221603
Energy: 1.5390239837931567
Energy: 1.3615340854506364
Energy: 1.539023983792251
Energy: 1.361534085451995
Energy: 1.5390239837936097
Energy: 1.361534085451542
Energy: 1.2653496984005317
Energy: 1.3161843386135368
Energy: 1.265349698403249
Energy: 1.3161843386225942
Energy: 1.2653496983973618
Energy: 1.3161843386158012
Energy: 1.4811862321000895
Energy: 1.4533120373862412
Energy: 1.4811862320901263
Energy: 1.4533120373789952
Energy: 1.4811862320942022
Energy: 1.453312037390317
Energy: 1.4805609163504265
Energy: 1.4446154284480626
Energy: 1.4805609163545024
Energy: 1.444615428450327
Energy: 1.4805609163495208
Energy: 1.444615428449874
Energy: 1.2655484630809037
Energy: 1.3282688633631148
Energy: 1.2655484630831682
Energy: 1.328268863369455
Energy: 1.2655484630790923
Energy: 1.3282688633685493
Energy: 1.5116803889428956
Energy: 1.3288869969678516
Energy: 1.5116803889392727
Energy: 1.3288869969683044
Energy: 1.5116803889428956
Energy: 1.3288869969710218
Energy: 1.2182747191054486
Energy: 1.63383376321068
Energy: 1.2182747191054486
Energy: 1.6338337632147562
Energy: 1.2182747191049956
Energy: 1.633833763211586
Energy: 1.4122863034763118
Energy: 1.2694702633474573
Energy: 1.4122863034853692
Energy: 1.2694702633483628
Energy: 1.4122863034803876
Energy: 1.2694702633474573
Energy: 1.2390189647851382
Energy: 1.4043551797746396
Energy: 1.2390189647864556
Energy: 1.4043551797714697
Energy: 1.2390189647855911
Energy: 1.4043551797796214
Energy: 1.4655246976362901
Energy: 1.406893081537656
Energy: 1.4655246976371958
Energy: 1.406893081537656
Energy: 1.4655246976367429
Energy: 1.406893081537656
Energy: 1.3302729174371213
Energy: 1.38923126650144
Energy: 1.33027291743848
Energy: 1.3892312664982698
Energy: 1.3302729174380272
Energy: 1.389231266494647
Energy: 1.3285280261267063
Energy: 1.2653731269245887
Energy: 1.328528026120819
Energy: 1.2653731269254944
Energy: 1.328528026123989
Energy: 1.2653731269223245
Energy: 1.5173341310985795
Energy: 1.446645430313402
Energy: 1.5173341310985795
Energy: 1.4466454303129492
Energy: 1.5173341310994855
Energy: 1.4466454303129492
Energy: 1.2662073339168005
Energy: 1.3602816165034242
Energy: 1.266207333911366
Energy: 1.3602816165016127
Energy: 1.2662073339122717
Energy: 1.360281616507047
Energy: 1.3266792730942762
Energy: 1.316482523362114
Energy: 1.3266792730960877
Energy: 1.316482523362567
Energy: 1.3266792730924648
Energy: 1.3164825233657373
Energy: 1.4030326705983056
Energy: 1.4645196628555286
Energy: 1.4030326705992116
Energy: 1.4645196628546229
Energy: 1.403032670601476
Energy: 1.4645196628605102
Energy: 1.4815260876682463
Energy: 1.2336177179577463
Energy: 1.4815260876682463
Energy: 1.2336177179572934
Energy: 1.4815260876677934
Energy: 1.233617717958611
Energy: 1.2660947156520819
Energy: 1.312815960442748
Energy: 1.266094715651176
Energy: 1.3128159604432008
Energy: 1.266094715651629
Energy: 1.3128159604436538

minimum gb energy = 1.21813482841604 eV
minimum distance =  2.32758318901031 Angstroms
sigma value = 51


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

Energy: 1.413367046402654
Energy: 1.4253916526849904
Energy: 1.413367046402654
Energy: 1.4253916526839412
Energy: 1.413367046402654
Energy: 1.4253916526849904
Energy: 1.5149814156671604
Energy: 1.3292891816991936
Energy: 1.5149814147861829
Energy: 1.3292891816991936
Energy: 1.5149814657665426
Energy: 1.3292891816991936
Energy: 1.3244648141844808
Energy: 1.6303235213945422
Energy: 1.3244648141834312
Energy: 1.6303235213934932
Energy: 1.3244648141844808
Energy: 1.6303235213934932
Energy: 1.4027842325845685
Energy: 1.2352841321222565
Energy: 1.4027842325877162
Energy: 1.2352841321212074
Energy: 1.4027842325856177
Energy: 1.2352841321222565
Energy: 1.4197702090547522
Energy: 1.3547191403736911
Energy: 1.4197702090558013
Energy: 1.3547191403736911
Energy: 1.4197702090568507
Energy: 1.3547191403736911
Energy: 1.4190675217755735
Energy: 1.3546185121396537
Energy: 1.4190675217766229
Energy: 1.3546185121417522
Energy: 1.419067521774524
Energy: 1.354618512138604
Energy: 1.3510222670307959
Energy: 1.35419709661091
Energy: 1.3510222670328944
Energy: 1.3541970966046142
Energy: 1.3510222670339436
Energy: 1.3541970966098609
Energy: 1.3018729060759264
Energy: 1.356151366078354
Energy: 1.3018729060759264
Energy: 1.3561513660794031
Energy: 1.3018729060748773
Energy: 1.356151366078354
Energy: 1.5914177595096393
Energy: 1.2349472047748848
Energy: 1.5914177595085899
Energy: 1.2349472047748848
Energy: 1.5914177595033434
Energy: 1.2349472047748848
Energy: 1.2806322224530766
Energy: 1.6037140859568957
Energy: 1.280632222454126
Energy: 1.603714085957945
Energy: 1.2806322224551752
Energy: 1.6037140859600436
Energy: 1.4666737279576452
Energy: 1.2467291407260628
Energy: 1.4666711377978197
Energy: 1.2467291407271122
Energy: 1.4666530395648087
Energy: 1.2467291407271122
Energy: 1.4106562155517495
Energy: 1.4273577756397913
Energy: 1.4106562155507003
Energy: 1.4273577756408404
Energy: 1.410656215553848
Energy: 1.4273577756408404
Energy: 1.5985427523273266
Energy: 1.33032143151701
Energy: 1.5985427523335745
Energy: 1.33032143151701
Energy: 1.5985427523440678
Energy: 1.3303214315180594
Energy: 1.3242858942780777
Energy: 1.3398349762329789
Energy: 1.3242858942801286
Energy: 1.3398349762350774
Energy: 1.3242858942780777
Energy: 1.3398349762361266
Energy: 1.4022817674919033
Energy: 1.4293998094352462
Energy: 1.4022817674929524
Energy: 1.4293998094352462
Energy: 1.4022817674929524
Energy: 1.4293998094362954
Energy: 1.4194334659738317
Energy: 1.3545282524793905
Energy: 1.4194334659790784
Energy: 1.354528252481489
Energy: 1.4194334659800798
Energy: 1.3545282524825382
Energy: 1.4192377101951141
Energy: 1.4642643852062016
Energy: 1.4192377101972127
Energy: 1.4642643852072508
Energy: 1.419237710198262
Energy: 1.4642643852051522
Energy: 1.380659205640158
Energy: 1.3609209642932854
Energy: 1.380659205640158
Energy: 1.3609209642932854
Energy: 1.380659205640158
Energy: 1.3609209642932854

minimum gb energy = 1.2349472047748848 eV
minimum distance =  2.19662800230389 Angstroms
sigma value = 19


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

Energy: 1.2027864495503928
Energy: 1.181496003343644
Energy: 1.2027864495503928
Energy: 1.1814960033442663
Energy: 1.2027864495503928
Energy: 1.1814960033442663
Energy: 1.3400732159755588
Energy: 1.4140836516414326
Energy: 1.3400732159743138
Energy: 1.4140836516414326
Energy: 1.3400732159718243
Energy: 1.414083651642055
Energy: 1.1098764004458657
Energy: 1.4122998773566804
Energy: 1.1098764004452433
Energy: 1.4122998773566804
Energy: 1.1098764004458657
Energy: 1.412299877354813
Energy: 1.267177549241566
Energy: 1.1102068932511682
Energy: 1.267177549242188
Energy: 1.1102068932517903
Energy: 1.267177549242188
Energy: 1.1102068932493008
Energy: 1.1646095311696139
Energy: 1.2000292219160065
Energy: 1.1646095311739424
Energy: 1.2000292219110273
Energy: 1.1646095311770543
Energy: 1.2000292219141393
Energy: 1.1650253828296184
Energy: 1.2001205804335093
Energy: 1.1650253828302408
Energy: 1.200120580434132
Energy: 1.1650253828296184
Energy: 1.2001205804322648
Energy: 1.2672326422922464
Energy: 1.1102019124744216
Energy: 1.267232642290379
Energy: 1.1102019124756666
Energy: 1.2672326422866445
Energy: 1.1102019124750442
Energy: 1.1098878816343403
Energy: 1.4123708211076431
Energy: 1.1098878816349629
Energy: 1.4123708211144896
Energy: 1.1098878816330955
Energy: 1.4123708211126225
Energy: 1.3400294824916705
Energy: 1.4140650581205814
Energy: 1.3400294824866914
Energy: 1.414065058119959
Energy: 1.3400294824854464
Energy: 1.4140650581180918
Energy: 1.2027864495503928
Energy: 1.1814960033430213
Energy: 1.2027864495503928
Energy: 1.181496003343644
Energy: 1.2027864495497707
Energy: 1.181496003343644
Energy: 1.3400732159736917
Energy: 1.414083651642055
Energy: 1.3400732159743138
Energy: 1.4140836516395652
Energy: 1.3400732159768036
Energy: 1.4140836516414326
Energy: 1.109876400446488
Energy: 1.412299877354813
Energy: 1.109876400446488
Energy: 1.412299877351701
Energy: 1.1098764004471104
Energy: 1.412299877354813
Energy: 1.2671775492390762
Energy: 1.1102068932499232
Energy: 1.267177549242188
Energy: 1.1102068932530351
Energy: 1.2671775492409434
Energy: 1.1102068932511682
Energy: 1.1646095311764322
Energy: 1.2000292219160065
Energy: 1.1646095311733484
Energy: 1.2000292219172513
Energy: 1.1646095311758096
Energy: 1.2000292219160065
Energy: 1.1650253828302408
Energy: 1.2001205804366215
Energy: 1.165025382832108
Energy: 1.200120580434132
Energy: 1.1650253828314856
Energy: 1.2001205804347543
Energy: 1.267232642292869
Energy: 1.1102019124756666
Energy: 1.267232642290379
Energy: 1.1102019124744216
Energy: 1.2672326422897566
Energy: 1.1102019124756666
Energy: 1.1098878816337179
Energy: 1.412370821112
Energy: 1.1098878816330955
Energy: 1.4123708211144896
Energy: 1.1098878816337179
Energy: 1.4123708211138675
Energy: 1.3400294824916705
Energy: 1.414065058121204
Energy: 1.3400294824842016
Energy: 1.4140650581193366
Energy: 1.3400294824854464
Energy: 1.4140650581174692
Energy: 1.2027864495510154
Energy: 1.1814960033442663
Energy: 1.2027864495503928
Energy: 1.1814960033442663
Energy: 1.2027864495503928
Energy: 1.1814960033442663
Energy: 1.3400732159749364
Energy: 1.41408365164081
Energy: 1.3400732159730693
Energy: 1.4140836516395652
Energy: 1.3400732159743138
Energy: 1.414083651642055
Energy: 1.1098764004471104
Energy: 1.4122998773529458
Energy: 1.1098764004458657
Energy: 1.4122998773566804
Energy: 1.109876400446488
Energy: 1.4122998773529458
Energy: 1.2671775492409434
Energy: 1.1102068932493008
Energy: 1.2671775492440556
Energy: 1.1102068932505456
Energy: 1.2671775492409434
Energy: 1.1102068932505456
Energy: 1.1646095311727258
Energy: 1.2000292219160065
Energy: 1.1646095311758096
Energy: 1.2000292219147617
Energy: 1.1646095311745648
Energy: 1.2000292219160065
Energy: 1.1650253828302408
Energy: 1.2001205804335093
Energy: 1.165025382832108
Energy: 1.200120580438489
Energy: 1.1650253828302408
Energy: 1.2001205804347543
Energy: 1.267232642290379
Energy: 1.1102019124769114
Energy: 1.267232642290379
Energy: 1.1102019124769114
Energy: 1.2672326422891342
Energy: 1.1102019124750442
Energy: 1.1098878816337179
Energy: 1.4123708211113777
Energy: 1.1098878816362074
Energy: 1.4123708211126225
Energy: 1.1098878816343403
Energy: 1.4123708211126225
Energy: 1.340029482489181
Energy: 1.4140650581218261
Energy: 1.3400294824854464
Energy: 1.4140650581193366
Energy: 1.3400294824842016
Energy: 1.4140650581187142
Energy: 1.2027864495503928
Energy: 1.1814960033442663
Energy: 1.2027864495503928
Energy: 1.1814960033442663
Energy: 1.2027864495503928
Energy: 1.1814960033417767
Energy: 1.3400732159730693
Energy: 1.4140836516414326
Energy: 1.3400732159786708
Energy: 1.4140836516401876
Energy: 1.3400732159749364
Energy: 1.4140836516414326
Energy: 1.1098764004483554
Energy: 1.4122998773560578
Energy: 1.1098764004458657
Energy: 1.412299877354813
Energy: 1.1098764004471104
Energy: 1.4122998773541908

minimum gb energy = 1.1098764004452433 eV
minimum distance =  2.21428105736398 Angstroms
sigma value = 27


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

Energy: 1.1793737332892968
Energy: 1.1263355345579258
Energy: 1.1793737332908214
Energy: 1.1263355345579258
Energy: 1.1793737332892968
Energy: 1.1263355345579258
Energy: 1.4855255187945553
Energy: 1.1992836001070633
Energy: 1.4855255187945553
Energy: 1.1992836001070633
Energy: 1.4855255187945553
Energy: 1.1992836001101126
Energy: 1.0672280210789302
Energy: 1.3276380841357933
Energy: 1.0672280210789302
Energy: 1.3276380841357933
Energy: 1.0672280210789302
Energy: 1.3276380841357933
Energy: 1.2893145279606806
Energy: 1.0911891418751785
Energy: 1.289314527959156
Energy: 1.0911891418751785
Energy: 1.289314527959156
Energy: 1.0911891418751785
Energy: 1.2887644346259903
Energy: 1.0911248490164303
Energy: 1.2887644346275149
Energy: 1.0911248490164303
Energy: 1.2887644346320886
Energy: 1.0911248490149057
Energy: 1.2973552532603676
Energy: 1.371174743826233
Energy: 1.2973552532618922
Energy: 1.3711747438231836
Energy: 1.2973552532603676
Energy: 1.371174743824708
Energy: 1.257115708373981
Energy: 1.2012696454798064
Energy: 1.0914245718979518
Energy: 1.2012696454798064
Energy: 1.0914245718964273
Energy: 1.2012696454798064
Energy: 1.174790592704402
Energy: 1.126768757243937
Energy: 1.1747905927028774
Energy: 1.1267687572424125
Energy: 1.1747905927028774
Energy: 1.1267687572469864
Energy: 1.3334030322805714
Energy: 1.1535277078508555
Energy: 1.3334030322805714
Energy: 1.1535277078447572
Energy: 1.333403032277522
Energy: 1.153527707860003
Energy: 1.2768320600543333
Energy: 1.347019003276286
Energy: 1.2768320600543333
Energy: 1.347019003276286
Energy: 1.2768320600543333
Energy: 1.3470190032778107
Energy: 1.2062019511014817
Energy: 1.0915780966297144
Energy: 1.206201951099957
Energy: 1.0915780966297144
Energy: 1.206201951099957
Energy: 1.0915780966297144
Energy: 1.3654199696923535
Energy: 1.242358741922196
Energy: 1.3654199696908291
Energy: 1.2423587419237208
Energy: 1.3654199696908291
Energy: 1.2423587419237208

minimum gb energy = 1.0672280210789302 eV
minimum distance =  2.19146294353996 Angstroms
sigma value = 9


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

Energy: 1.1432715053615796
Energy: 1.12119896749273
Energy: 1.1432715053615796
Energy: 1.1211989674931584
Energy: 1.1432715053611513
Energy: 1.1211989674935867
Energy: 1.4949041499237656
Energy: 1.1036698222343033
Energy: 1.4949041499229092
Energy: 1.1036698222343033
Energy: 1.4949041499259077
Energy: 1.067269808480631
Energy: 1.0080216758800902
Energy: 1.4459432667609597
Energy: 1.0080216758783764
Energy: 1.445943266758818
Energy: 1.0080216758796616
Energy: 1.4459432667583896
Energy: 1.0675134514156732
Energy: 1.0111475669591614
Energy: 1.0675134514182436
Energy: 1.0111475669660153
Energy: 1.0675134514148166
Energy: 1.011147566963445
Energy: 1.113564706736942
Energy: 1.0719996072528313
Energy: 1.1135647067348002
Energy: 1.0719996072528313
Energy: 1.1135647067352288
Energy: 1.0719996072528313
Energy: 1.1242994051504163
Energy: 1.1215334536049413
Energy: 1.1242994051504163
Energy: 1.1347622391344703
Energy: 1.1242994051512734
Energy: 1.1119423002478561
Energy: 1.056846660285778
Energy: 1.1731783478534001
Energy: 1.0568466602849214
Energy: 1.1731783478534001
Energy: 1.0568466602802091
Energy: 1.173178347852972
Energy: 0.9791956624131353
Energy: 1.184784662288949
Energy: 0.9791956624101368
Energy: 1.1847846622893774
Energy: 0.9791956624118502
Energy: 1.1847846622898057
Energy: 1.3403009533584
Energy: 1.0723846479200594
Energy: 1.3403009533673957
Energy: 1.072384647919631
Energy: 1.3403009533575434
Energy: 1.0723846479200594
Energy: 1.1553639973943688
Energy: 1.4658757860746134
Energy: 1.1553639973965106
Energy: 1.4658757860750418
Energy: 1.155363997395654
Energy: 1.4658757860746134
Energy: 1.0679987213632627
Energy: 1.0178300245397525
Energy: 1.0679987213675464
Energy: 1.0178300245397525
Energy: 1.0679987213641193
Energy: 1.017830024540181
Energy: 1.0449396397090411
Energy: 1.1344356774484377
Energy: 1.0449396397073278
Energy: 1.134435677444154
Energy: 1.0449396397081845
Energy: 1.1344356774514361
Energy: 1.0985398389586627
Energy: 1.0824738239448506
Energy: 1.0985398389548073
Energy: 1.0824738239422804
Energy: 1.0985398389565209
Energy: 1.0824738239427085
Energy: 1.139525859831428
Energy: 1.479745324188066
Energy: 1.1395258598335698
Energy: 1.4797453241876377
Energy: 1.139525859834855
Energy: 1.479745324188066
Energy: 1.0363433928263244
Energy: 1.1498366513146154
Energy: 1.0363433928263244
Energy: 1.1498366513159006
Energy: 1.036343392824611
Energy: 1.149836651316329
Energy: 1.0297241724714767
Energy: 1.0870222682528947
Energy: 1.0297241724744755
Energy: 1.0870222682528947
Energy: 1.0297241724731903
Energy: 1.0870222682593202
Energy: 1.312712462354303
Energy: 1.2883352064657152
Energy: 1.312712462354303
Energy: 1.2883352064674287
Energy: 1.312712462354303
Energy: 1.2883352064635736
Energy: 1.0540136334157504
Energy: 1.0723359700675061
Energy: 1.054013633416607
Energy: 1.0723359700666495
Energy: 1.0540136334170354
Energy: 1.0723359700670778
Energy: 0.9748769545058205
Energy: 1.4074256290957303
Energy: 0.9748769545079623
Energy: 1.4074256290901617
Energy: 0.9748769545139595
Energy: 1.407425629095302
Energy: 1.4587902645807012
Energy: 1.0871709599490333
Energy: 1.4587902645819861
Energy: 1.0871709599494614
Energy: 1.4587902645811295
Energy: 1.1206928019584788
Energy: 0.974934820791649
Energy: 1.4074293263328679
Energy: 0.9749348207877937
Energy: 1.4074293263337248
Energy: 0.9749348207895072
Energy: 1.4074293263341529
Energy: 1.0540071173078664
Energy: 1.0724618312927954
Energy: 1.0540071173010124
Energy: 1.072461831293224
Energy: 1.0540071173112935
Energy: 1.0724618312927954
Energy: 1.3126179589019078
Energy: 1.2882045958356134
Energy: 1.312617958901051
Energy: 1.288204595835185
Energy: 1.312617958901051
Energy: 1.288204595838612
Energy: 1.030280067656076
Energy: 1.1114598538539011
Energy: 1.0302800676517923
Energy: 1.1114598538568998
Energy: 1.0302800676427963
Energy: 1.1114598538611833
Energy: 1.036372470733129
Energy: 1.1500098540770471
Energy: 1.0363724707361275
Energy: 1.150009854076619
Energy: 1.0363724707352706
Energy: 1.1500098540761905
Energy: 1.1397429169305011
Energy: 1.2438298626602624
Energy: 1.1397429169317863
Energy: 1.243829862659834
Energy: 1.1397429169283593
Energy: 1.243829862659834
Energy: 1.098462148744204
Energy: 1.082331531716887
Energy: 1.0984621487429187
Energy: 1.082331531714745
Energy: 1.0984621487399202
Energy: 1.0823315317156017
Energy: 1.044931586417875
Energy: 1.0902679259419583
Energy: 1.0449315864183033
Energy: 1.0902679259470989
Energy: 1.0449315864187316
Energy: 1.090267925948384
Energy: 1.0679556746766088
Energy: 1.0178534515217508
Energy: 1.0679556746723249
Energy: 1.0178534515213227
Energy: 1.0679556746740384
Energy: 1.0178534515213227
Energy: 1.1554007368746277
Energy: 1.4588813688525544
Energy: 1.1554007368780546
Energy: 1.4588813688499842
Energy: 1.1554007368733425
Energy: 1.4588813688474138
Energy: 1.340187389305352
Energy: 1.0723242993283768
Energy: 1.3401873893109209
Energy: 1.0723242993283768
Energy: 1.3401873893049234
Energy: 1.0723242993292335
Energy: 0.9792797706355674
Energy: 1.1843842392970447
Energy: 0.9792797706342822
Energy: 1.1843842392979014
Energy: 0.9792797706351392
Energy: 1.184384239297473
Energy: 1.056930694900682
Energy: 1.1731633574849225
Energy: 1.056930694909678
Energy: 1.1731633574823523
Energy: 1.0569306949049657
Energy: 1.1731633574849225
Energy: 1.1243448272802687
Energy: 1.0884817238701354
Energy: 1.1243448272806973
Energy: 1.0884817238692788
Energy: 1.1243448272802687
Energy: 1.0884817238684217
Energy: 1.1137602692284487
Energy: 1.0723002921381457
Energy: 1.1137602692258786
Energy: 1.0723002921381457
Energy: 1.11376026922545
Energy: 1.072300292138574
Energy: 1.0675396871029865
Energy: 1.0114129616168752
Energy: 1.0675396871064133
Energy: 1.0114129616207308
Energy: 1.067539687103415
Energy: 1.0114129616241576
Energy: 1.007909758004522
Energy: 1.446073436835283
Energy: 1.0079097580049505
Energy: 1.4460734368314276
Energy: 1.0079097580062353
Energy: 1.4460734368374248
Energy: 1.4948226222946865
Energy: 1.067281467123928
Energy: 1.4948226222865473
Energy: 1.067281467123928
Energy: 1.4948226222908314
Energy: 1.0672814671243562
Energy: 1.1432715053650067
Energy: 1.1211989674910163
Energy: 1.1432715053650067
Energy: 1.121198967490588
Energy: 1.143271505365435
Energy: 1.121198967490588
Energy: 1.494904149926336
Energy: 1.0672698084793457
Energy: 1.4949041499233375
Energy: 1.0672698084789174
Energy: 1.494904149926336
Energy: 1.0672698084789174
Energy: 1.0080216758800902
Energy: 1.4459432667583896
Energy: 1.0080216758826601
Energy: 1.4459432667571044
Energy: 1.0080216758809468
Energy: 1.445943266758818
Energy: 1.0675134514161018
Energy: 1.01114756696216
Energy: 1.067513451417815
Energy: 1.0111475669595895
Energy: 1.067513451417387
Energy: 1.0111475669604464
Energy: 1.1135647067326584
Energy: 1.0719996072502609
Energy: 1.1135647067322298
Energy: 1.0719996072502609
Energy: 1.113564706735657
Energy: 1.0719996072506894

minimum gb energy = 0.9748769545058205 eV
minimum distance =  2.26628920495102 Angstroms
sigma value = 57


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

Energy: 0.499861427072682
Energy: 0.5123719117968253
Energy: 0.499861427072682
Energy: 0.5123719117968253
Energy: 0.499861427072682
Energy: 0.5123719117958501
Energy: 0.6610625793086626
Energy: 0.5011215141931102
Energy: 0.6610625793086626
Energy: 0.50112151419116
Energy: 0.6610625793096377
Energy: 0.50112151419116
Energy: 0.5716246211014372
Energy: 0.6362711449290761
Energy: 0.571624621100462
Energy: 0.6362711449290761
Energy: 0.571624621100462
Energy: 0.6362711449290761
Energy: 0.5132261392862912
Energy: 0.4992047461018571
Energy: 0.5132261392872663
Energy: 0.4992047461018571
Energy: 0.5132261392853161
Energy: 0.4992047461028322
Energy: 0.6605350181100021
Energy: 0.6678405182999285
Energy: 0.6605350181100021
Energy: 0.6678405182999285
Energy: 0.660535018109027
Energy: 0.6678405182999285
Energy: 0.4994015799142048
Energy: 0.5715635668764063
Energy: 0.4994015799142048
Energy: 0.5715635668754312
Energy: 0.4994015799142048
Energy: 0.5715635668764063
Energy: 0.4994108623378241
Energy: 0.571622178039967
Energy: 0.4994108623387991
Energy: 0.5716221780389917
Energy: 0.4994108623378241
Energy: 0.571622178039967
Energy: 0.6606351455061165
Energy: 0.6679147891931555
Energy: 0.6606351455061165
Energy: 0.6679147891931555
Energy: 0.6606351455061165
Energy: 0.6679147891931555
Energy: 0.513216288103553
Energy: 0.4991916215279463
Energy: 0.513216288103553
Energy: 0.4991916215230706
Energy: 0.5132162881025778
Energy: 0.499191621518195
Energy: 0.5718340182981557
Energy: 0.6356156847545362
Energy: 0.5718340182991309
Energy: 0.6356156847535611
Energy: 0.5718340182991309
Energy: 0.6356156847545362
Energy: 0.6608164349052262
Energy: 0.49930876287819403
Energy: 0.6608164349052262
Energy: 0.4993087628713681
Energy: 0.6608164349062015
Energy: 0.49930876286746767
Energy: 0.499861427072682
Energy: 0.5123719117958501
Energy: 0.499861427072682
Energy: 0.5123719117958501
Energy: 0.499861427072682
Energy: 0.5123719117958501
Energy: 0.6610625793086626
Energy: 0.5011215141931102
Energy: 0.6610625793086626
Energy: 0.5011215141940852
Energy: 0.6610625793096377
Energy: 0.50112151419116
Energy: 0.5716246211014372
Energy: 0.6362711449290761
Energy: 0.5716246211014372
Energy: 0.6362711449290761
Energy: 0.571624621100462
Energy: 0.6362711449290761
Energy: 0.5132261392901918
Energy: 0.4992047461018571
Energy: 0.513226139292142
Energy: 0.4992047461018571
Energy: 0.5132261392814156
Energy: 0.499204746100882
Energy: 0.6605350181100021
Energy: 0.6678405182999285
Energy: 0.6605350181100021
Energy: 0.6678405182999285
Energy: 0.6605350181100021
Energy: 0.6678405183009036
Energy: 0.49940157991517997
Energy: 0.5715635668754312
Energy: 0.4994015799142048
Energy: 0.5715635668754312
Energy: 0.4994015799142048
Energy: 0.5715635668754312
Energy: 0.4994108623378241
Energy: 0.5716221780389917
Energy: 0.4994108623378241
Energy: 0.5716221780389917
Energy: 0.4994108623378241
Energy: 0.5716221780389917
Energy: 0.6606351455070916
Energy: 0.6679147891931555
Energy: 0.6606351455061165
Energy: 0.6679147891931555
Energy: 0.6606351455070916
Energy: 0.6679147891921804

minimum gb energy = 0.499191621518195 eV
minimum distance =  2.41331225288779 Angstroms
sigma value = 11


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

Energy: 1.022752544962341
Energy: 1.1006033631374197
Energy: 1.0227525449609123
Energy: 1.1006033631374197
Energy: 1.0227525449609123
Energy: 1.1006033631374197
Energy: 1.145895301185477
Energy: 1.0565856041927868
Energy: 1.1458953011869057
Energy: 1.0565856041935011
Energy: 1.1458953011861912
Energy: 1.0565856041927868
Energy: 1.1089886436711092
Energy: 1.4407686256012195
Energy: 1.1089886436689662
Energy: 1.4407686255948557
Energy: 1.108988643670395
Energy: 1.440768625593427
Energy: 1.2320994807885266
Energy: 0.9012663182085766
Energy: 1.232099480792098
Energy: 0.9012663182085766
Energy: 1.2320994807906696
Energy: 0.9012663182085766
Energy: 1.0417979176495644
Energy: 0.8631993399595428
Energy: 1.0417979176495644
Energy: 0.8631993399588285
Energy: 1.041797917650279
Energy: 0.8631993399566856
Energy: 1.0378706632274992
Energy: 1.1662268113543754
Energy: 1.037870663226785
Energy: 1.1662268113543754
Energy: 1.0378706632274992
Energy: 1.1662268113543754
Energy: 0.864816175745877
Energy: 1.2020284620057795
Energy: 0.8648161757465913
Energy: 1.2020284620036368
Energy: 0.8648161757465913
Energy: 1.2020284620072081
Energy: 1.104471319712008
Energy: 0.8280473711088068
Energy: 1.1044713197112939
Energy: 0.8280473711088068
Energy: 1.104471319709865
Energy: 0.8280473711088068
Energy: 1.0857397223458372
Energy: 0.8304320560979757
Energy: 1.0857397223472658
Energy: 0.8304320560979757
Energy: 1.0857397223465517
Energy: 0.8304320560979757
Energy: 0.8532507917340654
Energy: 1.331631505755399
Energy: 0.8532507917390656
Energy: 1.331631505756113
Energy: 0.8532507917340654
Energy: 1.331631505756113
Energy: 1.0546214597604058
Energy: 1.3190197180346717
Energy: 1.0546214597589774
Energy: 1.3190197180346717
Energy: 1.0546214597611203
Energy: 1.3190197180346717
Energy: 1.0431189003049535
Energy: 0.8655938119348717
Energy: 1.0431189003070962
Energy: 0.8655938119341574
Energy: 1.0431189003049535
Energy: 0.8655938119341574
Energy: 1.1219457741655612
Energy: 0.9062320689943308
Energy: 1.1219457741655612
Energy: 0.9062320689950452
Energy: 1.1219457741677041
Energy: 0.9062320689943308
Energy: 1.1658917027193154
Energy: 1.412116615178509
Energy: 1.1658917027214584
Energy: 1.412116615178509
Energy: 1.1658917027200297
Energy: 1.4121166151827949
Energy: 1.1470417510015058
Energy: 1.0592379625695671
Energy: 1.1470417510022202
Energy: 1.0592379625695671
Energy: 1.1470417510015058
Energy: 1.0592379625695671
Energy: 0.9489535295977679
Energy: 1.0997588959730507
Energy: 0.9489535295984822
Energy: 1.0997588959737647
Energy: 0.9489535295977679
Energy: 1.0997588959737647
Energy: 0.9819297905616764
Energy: 1.0558337022262312
Energy: 0.9819297905623907
Energy: 1.0558337022269453
Energy: 0.9819297905609622
Energy: 1.0558337022269453
Energy: 1.3549211409195845
Energy: 1.3783856234496128
Energy: 1.3549211409202988
Energy: 1.37838562344747
Energy: 1.3549211409202988
Energy: 1.3783856234460414
Energy: 1.2195485573926799
Energy: 0.8989096822765693
Energy: 1.2195485573912512
Energy: 0.8989096822765693
Energy: 1.2195485573926799
Energy: 0.8989096822758551
Energy: 1.0430736205589624
Energy: 0.9909067960972964
Energy: 1.043073620560391
Energy: 0.9909067960972964
Energy: 1.0430736205575335
Energy: 0.9909067960972964
Energy: 0.8519195915659119
Energy: 1.1669757430836136
Energy: 0.8519195915673404
Energy: 1.1669757430836136
Energy: 0.8519195915659119
Energy: 1.1669757430828993
Energy: 1.0724830536339722
Energy: 1.2022192166719874
Energy: 1.0724830536361152
Energy: 1.2022192166698447
Energy: 1.072483053635401
Energy: 1.2022192166741306
Energy: 1.193986248417439
Energy: 1.0040888223645852
Energy: 1.193986248417439
Energy: 1.0040888223652993
Energy: 1.1939862484167247
Energy: 1.0040888223645852
Energy: 1.0855317680933299
Energy: 0.9502180131293974
Energy: 1.085531768091252
Energy: 0.950218013128683
Energy: 1.0855317680926806
Energy: 0.9502180131301117
Energy: 0.8521792828676901
Energy: 1.3308365641241109
Energy: 0.8521792828684044
Energy: 1.3308365641241109
Energy: 0.8521792828669759
Energy: 1.3308365641248252
Energy: 1.5277900775438158
Energy: 1.324171556843225
Energy: 1.5277900775438158
Energy: 1.324171556842511
Energy: 1.5277900775438158
Energy: 1.324171556843225

minimum gb energy = 0.8280473711088068 eV
minimum distance =  2.27646108354272 Angstroms
sigma value = 41


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

Energy: 1.1491507288188112
Energy: 0.9574324225555306
Energy: 1.1491507288199374
Energy: 0.9574324225566566
Energy: 1.1491507288205005
Energy: 0.9574324225555306
Energy: 1.2124658776490445
Energy: 1.2371679190374414
Energy: 1.2124658776473554
Energy: 1.2371679190374414
Energy: 1.2124658776473554
Energy: 1.2371679190374414
Energy: 1.4438982414152104
Energy: 1.654574576268189
Energy: 1.4438982414163364
Energy: 1.654574576267626
Energy: 1.4438982414152104
Energy: 1.6545745762670632
Energy: 1.1079183059234816
Energy: 0.9542485973967366
Energy: 1.1079183059257338
Energy: 0.9542485973972996
Energy: 1.1079183059229185
Energy: 0.9542485973967366
Energy: 0.9128480430916677
Energy: 1.0066759209938938
Energy: 0.9128480430922306
Energy: 1.0066759209944567
Energy: 0.9128480430922306
Energy: 1.0066759209938938
Energy: 1.1833305623405137
Energy: 1.4085696593015324
Energy: 1.1833305623399504
Energy: 1.4085696593015324
Energy: 1.1833305623410766
Energy: 1.4085696593009696
Energy: 0.9549538436700963
Energy: 1.399393952401234
Energy: 0.9549538436695332
Energy: 1.399393952401797
Energy: 0.9549538436695332
Energy: 1.399393952401234
Energy: 0.9406436353133497
Energy: 0.9544489533871966
Energy: 0.9406436353133497
Energy: 0.9544489533871966
Energy: 0.9406436353133497
Energy: 0.9544489533866336
Energy: 0.9326807674373225
Energy: 0.9876286644872999
Energy: 0.9326807674373225
Energy: 0.9876286644872999
Energy: 0.9326807674373225
Energy: 0.9876286644872999
Energy: 1.0269309340716666
Energy: 1.5059722547745016
Energy: 1.0269309340716666
Energy: 1.5059722547745016
Energy: 1.0269309340711037
Energy: 1.5059722547745016
Energy: 1.0229341570531467
Energy: 1.5073671974729386
Energy: 1.0229341570537098
Energy: 1.5073671974729386
Energy: 1.0229341570531467
Energy: 1.5073671974735015
Energy: 0.9224962513687909
Energy: 1.1138048611911149
Energy: 0.92249625137048
Energy: 1.113804861190552
Energy: 0.922496251368228
Energy: 1.113804861190552
Energy: 0.937101547292042
Energy: 0.9544638169949664
Energy: 0.937101547292605
Energy: 0.9544638169972182
Energy: 0.9371015472942941
Energy: 0.9544638169955294
Energy: 0.8916640922630279
Energy: 1.3092556346906612
Energy: 0.8916640922635909
Energy: 1.3092556346900979
Energy: 0.8916640922635909
Energy: 1.3092556346867201
Energy: 1.186281699765504
Energy: 1.4100605364262573
Energy: 1.1862816997649408
Energy: 1.4100605364262573
Energy: 1.186281699765504
Energy: 1.4100605364262573
Energy: 0.8923242329493456
Energy: 1.237924814009895
Energy: 0.8923242329499086
Energy: 1.141520909727542
Energy: 0.8923242329504716
Energy: 1.1415209097264163
Energy: 0.9461032884463328
Energy: 0.9543612214337938
Energy: 0.9461032884468958
Energy: 0.9543612214377347
Energy: 0.9461032884480218
Energy: 0.9543612214332308
Energy: 1.2495856188160956
Energy: 1.6576249227464586
Energy: 1.2495856188149697
Energy: 1.6576249227481477
Energy: 1.2495856188155325
Energy: 1.6576249227481477
Energy: 1.2326519190120704
Energy: 1.2359185912917967
Energy: 1.2326519190120704
Energy: 1.2359185912923598
Energy: 1.2326519190120704
Energy: 1.2359185912923598
Energy: 1.023105461121312
Energy: 1.0480030790528037
Energy: 1.023105461121312
Energy: 1.0480030790516777
Energy: 1.0231054611207488
Energy: 1.0480030790533668
Energy: 0.9318550118049108
Energy: 1.2185468044789134
Energy: 0.9318550118043478
Energy: 1.2185468044789134
Energy: 0.9318550118082887
Energy: 1.2185468044789134
Energy: 1.0935640332164613
Energy: 1.5499301502371037
Energy: 1.0935640332153354
Energy: 1.5499301502359777
Energy: 1.0935640332164613
Energy: 1.5499301502404303
Energy: 1.1093417804686045
Energy: 0.9520732508610009
Energy: 1.1093417804680412
Energy: 0.9520732508604379
Energy: 1.1093417804680412
Energy: 0.9520732508610009
Energy: 0.8925306494679023
Energy: 1.1268254363779673
Energy: 0.8925306494667763
Energy: 1.1268254363785302
Energy: 0.8925306494673393
Energy: 1.1268254363785302
Energy: 0.8933335691590308
Energy: 1.3211155700067634
Energy: 0.8933335691595937
Energy: 1.3211155700067634
Energy: 0.8933335691579048
Energy: 1.3211155700062005
Energy: 0.9548595788148506
Energy: 1.3029611041030749
Energy: 0.9548595788142876
Energy: 1.3029611041036382
Energy: 0.9548595788131617
Energy: 1.3029611041042009
Energy: 0.9364038644065605
Energy: 0.9517835792875208
Energy: 0.9364038644065605
Energy: 0.9517835792863947
Energy: 0.9364038644076865
Energy: 0.9517835792869578
Energy: 0.9330485050447339
Energy: 1.1084094272784768
Energy: 0.9330485050452969
Energy: 1.10840942727904
Energy: 0.9330485050447339
Energy: 1.10840942727904
Energy: 1.0234392228345306
Energy: 1.2624214262034108
Energy: 1.0234392228345306
Energy: 1.2624214262039737
Energy: 1.0234392228345306
Energy: 1.2624214262039737
Energy: 1.3755115046726805
Energy: 1.2514457685005775
Energy: 1.3755115046721174
Energy: 1.2514457685011406
Energy: 1.3755115046721174
Energy: 1.2514457685005775
Energy: 0.9161383815830576
Energy: 1.1154919451619902
Energy: 0.9161383815824946
Energy: 1.1154919451619902
Energy: 0.9161383815824946
Energy: 1.1154919451619902
Energy: 0.9490487784129287
Energy: 0.9699290872475107
Energy: 0.9490487784134917
Energy: 0.9699290872469475
Energy: 0.9490487784129287
Energy: 0.9699290872475107
Energy: 0.8929893761195964
Energy: 1.16175449905331
Energy: 0.8929893761212855
Energy: 1.16175449905331
Energy: 0.8929893761212855
Energy: 1.1617544990538728

minimum gb energy = 0.8916640922630279 eV
minimum distance =  2.30525218093887 Angstroms
sigma value = 33


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

Energy: 1.0830466966634142
Energy: 0.9905184083970925
Energy: 1.083046696666575
Energy: 0.9905184083950809
Energy: 1.083046696666575
Energy: 0.9905184084029832
Energy: 1.1168611161605329
Energy: 0.948922505578366
Energy: 1.1168611161581623
Energy: 0.9489225055787252
Energy: 1.1168611161605329
Energy: 0.9489225055787252
Energy: 1.0386772115690701
Energy: 1.5354503586469233
Energy: 1.038677211569501
Energy: 1.5354503586464923
Energy: 1.0386772115674898
Energy: 1.5354503586480726
Energy: 1.0283136455125188
Energy: 0.9730631723591026
Energy: 1.0283136455136683
Energy: 0.9730631723646341
Energy: 1.0283136455117285
Energy: 0.9730631723646341
Energy: 0.9936261097060785
Energy: 0.9728801221494766
Energy: 0.9936261097060785
Energy: 0.972880120378939
Energy: 0.9936261097068686
Energy: 0.972880121611189
Energy: 1.3242902875311275
Energy: 1.0095322087526784
Energy: 1.324290287532708
Energy: 1.0095322087523193
Energy: 1.324290287532349
Energy: 1.0095322087523193
Energy: 1.003254623127998
Energy: 1.1088422534819151
Energy: 1.003254623129219
Energy: 1.108842253481556
Energy: 1.0032546231284287
Energy: 1.108842253481556
Energy: 1.0655242641239635
Energy: 1.0710818355410225
Energy: 1.0655242641208025
Energy: 1.0710818355390113
Energy: 1.0655242641211617
Energy: 1.071081835539442
Energy: 1.0374450266895692
Energy: 1.024508318651403
Energy: 1.0374450266911497
Energy: 1.0245083186506128
Energy: 1.0374450266859774
Energy: 1.0245083186506128
Energy: 1.3933747822399474
Energy: 0.9880892917468107
Energy: 1.393374782242318
Energy: 0.9880892917468107
Energy: 1.3933747822403064
Energy: 0.9880892917471698
Energy: 1.061244454782311
Energy: 1.0628978778322962
Energy: 1.0612444547826703
Energy: 1.0628978778327274
Energy: 1.061244454782311
Energy: 1.0628978778322962
Energy: 1.5696058695716597
Energy: 0.973113393133165
Energy: 1.5696058695704382
Energy: 0.973113393132806
Energy: 1.5696058695704382
Energy: 0.973113393133165
Energy: 1.025461180948849
Energy: 1.0375284953523807
Energy: 1.0254611809548115
Energy: 1.0375284953452688
Energy: 1.0254611809508605
Energy: 1.037528495357122
Energy: 1.082133128459027
Energy: 1.0623480422191092
Energy: 1.082133128459458
Energy: 1.062348042218678
Energy: 1.0821331284582367
Energy: 1.062348042218319
Energy: 1.0725466460047755
Energy: 1.0043563589650866
Energy: 1.072546646003195
Energy: 1.0043563589646556
Energy: 1.072546646003626
Energy: 1.0043563589646556
Energy: 1.0129987346902354
Energy: 1.3274770345414135
Energy: 1.0129987346930371
Energy: 1.3274770345418447
Energy: 1.0129987346894451
Energy: 1.3274770345418447
Energy: 0.9744655671947445
Energy: 0.9904249402442894
Energy: 0.9744659427860267
Energy: 0.9904249402442894
Energy: 0.9744707714521139
Energy: 0.9904249402442894
Energy: 0.9707325147402457
Energy: 1.0336674129914725
Energy: 0.9707325147426163
Energy: 1.0336674129918317
Energy: 0.9707325147438377
Energy: 1.0336674129918317
Energy: 1.5384469869954482
Energy: 1.0378706011983336
Energy: 1.538446986995879
Energy: 1.0378706011991239
Energy: 1.5384469869935085
Energy: 1.0378706011991239
Energy: 1.2797369418162772
Energy: 1.0502394011969278
Energy: 1.279736941818217
Energy: 1.0502394011961376
Energy: 1.2797369418170674
Energy: 1.0502394011965686
Energy: 0.9853693052132286
Energy: 1.0826609227488695
Energy: 0.9853693052132286
Energy: 1.0826609227493005
Energy: 0.9853693052128695
Energy: 1.0826609227485102
Energy: 0.9457574142243274
Energy: 1.1176039266935138
Energy: 0.9457574142246864
Energy: 1.1176039266915023
Energy: 0.9457574142243274
Energy: 1.1176039266891316
Energy: 1.4723267940689813
Energy: 1.2685329618286911
Energy: 1.4723267940697713
Energy: 1.2685329618294812
Energy: 1.4723267940705616
Energy: 1.268532961829122
Energy: 0.977211757469281
Energy: 1.027619658335684
Energy: 0.9772117574664791
Energy: 1.0276196583348938
Energy: 0.9772117574677005
Energy: 1.027619658336115
Energy: 0.9732581268088284
Energy: 0.9904149072588357
Energy: 0.9732581267989866
Energy: 0.9904149072592668
Energy: 0.9732581268088284
Energy: 0.9904149072580455
Energy: 1.0079808949390996
Energy: 1.3233301190690765
Energy: 1.0079808949390996
Energy: 1.3233301190690765
Energy: 1.0079808949406799
Energy: 1.3233301190690765
Energy: 1.121967047886064
Energy: 1.0039963180568356
Energy: 1.1219670478868542
Energy: 1.0039963180568356
Energy: 1.1219670478856332
Energy: 1.0039963180568356
Energy: 1.0733220823734395
Energy: 0.9785692217815076
Energy: 1.0733220823738707
Energy: 0.9785692217807174
Energy: 1.0733220823710687
Energy: 0.9785692217807174
Energy: 1.0267048766893911
Energy: 1.0377667550984655
Energy: 1.0267048766878106
Energy: 1.0377667550925747
Energy: 1.0267048766862301
Energy: 1.0377667550913534
Energy: 0.9860332333610313
Energy: 1.3916640382897743
Energy: 0.9860332333602411
Energy: 1.3916640382901335
Energy: 0.98603323335981
Energy: 1.3916640382901335
Energy: 1.027808445947251
Energy: 0.970741240653339
Energy: 1.027808445947251
Energy: 0.9707412406529796
Energy: 1.0278084459484003
Energy: 0.9707412406517585
Energy: 0.9775502410035137
Energy: 1.5658211994975206
Energy: 0.9775502410074648
Energy: 1.5658211994975206
Energy: 0.9775502410062434
Energy: 1.5658211994970896
Energy: 1.279857355229426
Energy: 1.0203793911987316
Energy: 1.2798573552270551
Energy: 1.0203793912006713
Energy: 1.279857355226696
Energy: 1.0203793912046226
Energy: 1.059801721262211
Energy: 1.0768077467855055
Energy: 1.0598017212626423
Energy: 1.0768077467855055
Energy: 1.0598017212614208
Energy: 1.0768077467855055
Energy: 1.0598802963039935
Energy: 1.0761909073299456
Energy: 1.059880296301982
Energy: 1.0761909073303046
Energy: 1.0598802963047838
Energy: 1.0761909073303046
Energy: 1.2797999342323625
Energy: 1.0204389115778274
Energy: 1.2797999342327933
Energy: 1.0204389115782586
Energy: 1.2797999342327933
Energy: 1.0204389115770371
Energy: 0.9774891057632611
Energy: 1.5657938318935245
Energy: 0.97748910575931
Energy: 1.5657938318930935
Energy: 0.9774891057616807
Energy: 1.5657938318930935
Energy: 1.0278084559956235
Energy: 0.9709418918212153
Energy: 1.0278084559960547
Energy: 0.9709418918212153
Energy: 1.0278084559960547
Energy: 0.9709418918216464
Energy: 0.9862376236061762
Energy: 1.391430090814912
Energy: 0.9862376236068946
Energy: 1.391430090815343
Energy: 0.9862376236065352
Energy: 1.391430090814553
Energy: 1.0266905356625804
Energy: 1.037977405653245
Energy: 1.0266905356665315
Energy: 1.0379774056611473
Energy: 1.0266905356661005
Energy: 1.0379774056567652
Energy: 1.073218460057299
Energy: 0.9785958556651426
Energy: 1.0732184600588794
Energy: 0.9785958556659329
Energy: 1.073218460056868
Energy: 0.9785958556651426
Energy: 1.1219548709841591
Energy: 1.0040325035454079
Energy: 1.1219548709817886
Energy: 1.004032503546198
Energy: 1.1219548709822198
Energy: 1.004032503546198
Energy: 1.0079818004506147
Energy: 1.323668925625152
Energy: 1.0079818004502554
Energy: 1.3236689256247929
Energy: 1.0079818004498244
Energy: 1.323668925625152
Energy: 0.9733194215150048
Energy: 0.990463857154263
Energy: 0.9733194216058808
Energy: 0.990463857154263
Energy: 0.9733194215083237
Energy: 0.9904638571534727
Energy: 0.9771624844741372
Energy: 1.027865890810439
Energy: 0.9771624844725568
Energy: 1.027865890810798
Energy: 0.9771624844757177
Energy: 1.027865890806847
Energy: 1.472413329869159
Energy: 1.2685255966832543
Energy: 1.472413329868369
Energy: 1.2685255966836853
Energy: 1.4724133298688
Energy: 1.2685255966836853
Energy: 0.9456580771905262
Energy: 1.1185153684813685
Energy: 0.9456580771897359
Energy: 1.118515368484098
Energy: 0.9456580771897359
Energy: 1.1185153684853195

minimum gb energy = 0.9456580771897359 eV
minimum distance =  2.29790194018481 Angstroms
sigma value = 67


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

Energy: 1.1260850051919786
Energy: 1.0382469440365125
Energy: 1.1260850051919786
Energy: 1.0382469440365125
Energy: 1.1260850051919786
Energy: 1.0382469440391533
Energy: 1.1039896852206865
Energy: 1.0007378588811584
Energy: 1.1039896852206865
Energy: 1.0007378588811584
Energy: 1.103989685218046
Energy: 1.0007378588811584
Energy: 1.3749350275658896
Energy: 1.2634652413639451
Energy: 1.3749350275685301
Energy: 1.2634652413639451
Energy: 1.3749350275658896
Energy: 1.2634652413639451
Energy: 1.1040084243467179
Energy: 1.0007033177502158
Energy: 1.1040084243467179
Energy: 1.0007033177502158
Energy: 1.1040084243467179
Energy: 1.0007033177528566
Energy: 1.1260850051919786
Energy: 1.0382469440391533
Energy: 1.1260850051919786
Energy: 1.0382469440391533
Energy: 1.1260850051919786
Energy: 1.0382469440391533
Energy: 1.103989685218046
Energy: 1.0007378588811584
Energy: 1.103989685218046
Energy: 1.0007378588811584
Energy: 1.103989685218046
Energy: 1.0007378588811584
Energy: 1.0548441997035514
Energy: 1.263465241366586
Energy: 1.0548441997035514
Energy: 1.263465241366586
Energy: 1.0548441997035514
Energy: 1.263465241366586

minimum gb energy = 1.0007033177502158 eV
minimum distance =  2.29646040096622 Angstroms
sigma value = 3


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

Energy: 1.387192870696117
Energy: 1.2282916784144127
Energy: 1.3412926714112219
Energy: 1.2282916784215998
Energy: 1.3871928706925236
Energy: 1.2282916784215998
Energy: 1.2651224167364767
Energy: 1.1771907750798174
Energy: 1.2651224167544444
Energy: 1.1771907750798174
Energy: 1.2651224167580377
Energy: 1.1771907750798174
Energy: 1.3189472516709189
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Energy: 1.3416764362667515
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Energy: 1.2465997141549743
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Energy: 1.2674813419570223
Energy: 1.2451929350672484
Energy: 1.2674813419642093
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Energy: 1.245192935078029
Energy: 1.233366365623509
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Energy: 1.2333663656342895
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Energy: 1.2130697813228892
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Energy: 1.3106542009106463
Energy: 1.2225059766147373
Energy: 1.2636110585069493
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Energy: 1.3759801664938816
Energy: 1.1916640032004127
Energy: 1.3281601277925095
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Energy: 1.284764741389398
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Energy: 1.3276995601123946
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Energy: 1.2485871364362524
Energy: 1.2468702028142333
Energy: 1.248587136439846
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Energy: 1.2485871364469676
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Energy: 1.2673816258828134
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Energy: 1.2673816259007809
Energy: 1.3251280671033718
Energy: 1.2673816259007809
Energy: 1.1813073835330758
Energy: 1.3276308048876084
Energy: 1.1813127682952391
Energy: 1.3276308048876084
Energy: 1.18130738354745
Energy: 1.3276308048876084
Energy: 1.4533349058306464
Energy: 1.2032434202478277
Energy: 1.4533349058342402
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Energy: 1.2032434202442341
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Energy: 1.3058588429171465
Energy: 1.1753384608017468
Energy: 1.305858842927927
Energy: 1.17533846080534
Energy: 1.305858842927927
Energy: 1.3164975384128559
Energy: 1.267674338434532
Energy: 1.3164975398639722
Energy: 1.267674338434532
Energy: 1.3164975352771122
Energy: 1.267674338434532
Energy: 1.2046112441841115
Energy: 1.21481827991093
Energy: 1.2046117787944002
Energy: 1.2148182913546899
Energy: 1.2046112441841115
Energy: 1.21481818396425
Energy: 1.3907016924750235
Energy: 1.1834426032197216
Energy: 1.3907016924750235
Energy: 1.1834426031981604
Energy: 1.3907016924786169
Energy: 1.1834426031981604
Energy: 1.2182827156070843
Energy: 1.4730666429600114
Energy: 1.2182827156034908
Energy: 1.4730666429528243
Energy: 1.2182827156034908
Energy: 1.4730666429564176
Energy: 1.3025797226001512
Energy: 1.178814102974682
Energy: 1.3025797226073381
Energy: 1.1788141029710884
Energy: 1.3025797226001512
Energy: 1.1788141029710884
Energy: 1.2676182512789294
Energy: 1.2342164470525654
Energy: 1.2676182512717422
Energy: 1.2342164470489718
Energy: 1.2676182512681489
Energy: 1.2342164470489718
Energy: 1.3519887329473192
Energy: 1.184339181137263
Energy: 1.3519887329473192
Energy: 1.184339181137263
Energy: 1.3519887329509126
Energy: 1.205415125149253
Energy: 1.2983180640282441
Energy: 1.3462985565447325
Energy: 1.298318016177083
Energy: 1.346298556541139
Energy: 1.2983180640246506
Energy: 1.3462985565375456
Energy: 1.2501094750165795
Energy: 1.2222614791491313
Energy: 1.2501094750165795
Energy: 1.2222614791491313
Energy: 1.2501094750093926
Energy: 1.2222614791527249
Energy: 1.204712116690132
Energy: 1.2831269271217958
Energy: 1.2047121166865387
Energy: 1.2831269271217958
Energy: 1.2047121166865387
Energy: 1.2831269271217958
Energy: 1.2765727042365633
Energy: 1.2791247549703413
Energy: 1.2765727042293764
Energy: 1.2791247549667477
Energy: 1.2765727042365633
Energy: 1.2791247549667477
Energy: 1.2504798903999168
Energy: 1.2660235152477979
Energy: 1.2506371243143357
Energy: 1.2660235152442045
Energy: 1.2504798904071037
Energy: 1.2660235152406762

minimum gb energy = 1.140404021757801 eV
minimum distance =  2.24381025491963 Angstroms
sigma value = 81


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

Energy: 1.3803329331932463
Energy: 1.2476764802909914
Energy: 1.3181888585361345
Energy: 1.2476764802983895
Energy: 1.3803329331942327
Energy: 1.2476764802983895
Energy: 1.269260913009103
Energy: 1.2053971006029347
Energy: 1.2692609130086097
Energy: 1.2053971005975095
Energy: 1.2692609130061439
Energy: 1.2053971005975095
Energy: 1.3579518084238311
Energy: 1.348534891098086
Energy: 1.3202008930635682
Energy: 1.348534891102525
Energy: 1.3579518084277318
Energy: 1.348534891102525
Energy: 1.2181957815442062
Energy: 1.2750751906611169
Energy: 1.2181957815456859
Energy: 1.2750751906635829
Energy: 1.2181957815446993
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Energy: 1.2988436638731327
Energy: 1.1994377631830562
Energy: 1.2988436638741192
Energy: 1.1994377631854773
Energy: 1.2988436638775713
Energy: 1.1994377631859705
Energy: 1.194915857194444
Energy: 1.1928134415333371
Energy: 1.1949158571924712
Energy: 1.1928134415323508
Energy: 1.1949158571909917
Energy: 1.1928134415323508
Energy: 1.194046847924326
Energy: 1.1991981749490261
Energy: 1.1940468479223532
Energy: 1.1991981749440943
Energy: 1.1940468479228465
Energy: 1.1991981749436011
Energy: 1.261801044458035
Energy: 1.250825902088903
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Energy: 1.250825902093835
Energy: 1.2618010444516232
Energy: 1.2508259020933419
Energy: 1.365615015784446
Energy: 1.2856046402808101
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Energy: 1.3656150157898712
Energy: 1.285604640273412
Energy: 1.2916234601040992
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Energy: 1.2398955250786412
Energy: 1.2175755195520248
Energy: 1.239895525080121
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Energy: 1.2051070807904463
Energy: 1.128853809035577
Energy: 1.2051070807997721
Energy: 1.1288538090340976
Energy: 1.2051070808007587
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Energy: 1.3025956270795083
Energy: 1.26880078863752
Energy: 1.302595627080988
Energy: 1.2688007886355472
Energy: 1.3025956270814811
Energy: 1.285385297728202
Energy: 1.3082255111013705
Energy: 1.285385297725243
Energy: 1.3082255111033434
Energy: 1.2853852977247497
Energy: 1.3082255111038366
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Energy: 1.127379316935681
Energy: 1.3003406785145701
Energy: 1.1273793169322284
Energy: 1.3003406785175293
Energy: 1.1273793169322284
Energy: 1.2615722498273176
Energy: 1.1633967317527159
Energy: 1.2615722498278108
Energy: 1.1633967317561684
Energy: 1.2615722498268245
Energy: 1.1633967317556755
Energy: 1.256661692615179
Energy: 1.1930973925816082
Energy: 1.2580751206534813
Energy: 1.1930973925766764
Energy: 1.2596180972805784
Energy: 1.1930973925766764
Energy: 1.196702688970834
Energy: 1.35232005497626
Energy: 1.1966981083844168
Energy: 1.3523200549747803
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Energy: 1.3523200549747803
Energy: 1.3512132034220736
Energy: 1.2220354642714013
Energy: 1.351213203425526
Energy: 1.2220354642714013
Energy: 1.3512132034289785
Energy: 1.2220354642674558
Energy: 1.2756398008114977
Energy: 1.371423575234887
Energy: 1.275639800814457
Energy: 1.3714235752309414
Energy: 1.275639800814457
Energy: 1.371423575232421
Energy: 1.1989522294873005
Energy: 1.3026908047213503
Energy: 1.1989522294902597
Energy: 1.3026908047124726
Energy: 1.1989522294892734
Energy: 1.3026908047124726
Energy: 1.2962035762292674
Energy: 1.2213136916786156
Energy: 1.228403932842936
Energy: 1.221313691672204
Energy: 1.296203576218417
Energy: 1.221313691672204
Energy: 1.2919794114991066
Energy: 1.095109971869877
Energy: 1.1937815919380041
Energy: 1.0951099718639583
Energy: 1.2919794114981202
Energy: 1.0951099718644515
Energy: 1.2481935669344186
Energy: 1.2624750405408323
Energy: 1.2481935669265274
Energy: 1.262475040539846
Energy: 1.2481935669226267
Energy: 1.262475040539846
Energy: 1.287806692399696
Energy: 1.3517909732967488
Energy: 1.2878066923962437
Energy: 1.3516345280527189
Energy: 1.2878066923922982
Energy: 1.351686706949012
Energy: 1.301402168790179
Energy: 1.499574949623785
Energy: 1.3014021687886994
Energy: 1.4995749496178665
Energy: 1.3014021687867265
Energy: 1.4995749496173734
Energy: 1.196213920133787
Energy: 1.2193845166444248
Energy: 1.1962139201372395
Energy: 1.2193845166478772
Energy: 1.1962139201406916
Energy: 1.2193845166488635
Energy: 1.2050856985094605
Energy: 1.193192721944323
Energy: 1.2050856985148857
Energy: 1.1931927219448164
Energy: 1.2050856985119265
Energy: 1.1931927219453093
Energy: 1.3350314668085663
Energy: 1.2690544850932388
Energy: 1.33503612030715
Energy: 1.2690544850868273
Energy: 1.3350314668016616
Energy: 1.269054485086334
Energy: 1.3099152137046737
Energy: 1.1282005416044323
Energy: 1.3099152137100991
Energy: 1.1282005416078849
Energy: 1.3099152137100991
Energy: 1.1282005416078849
Energy: 1.2746414658879792
Energy: 1.300823365034171
Energy: 1.2746414658884722
Energy: 1.3008233650312118
Energy: 1.274641465890445
Energy: 1.3008233650326912
Energy: 1.1638447865659696
Energy: 1.2624355885352503
Energy: 1.1638447865630102
Energy: 1.2624355885322913
Energy: 1.1638447865659696
Energy: 1.2624355885322913
Energy: 1.128884684305802
Energy: 1.2495643469435165
Energy: 1.1288846843038294
Energy: 1.2495529685105864
Energy: 1.1288846843018563
Energy: 1.2494952603791134
Energy: 1.1288731570285755
Energy: 1.2298955335120103
Energy: 1.1288731570310415
Energy: 1.2298955335115171
Energy: 1.128873157032521
Energy: 1.229895533511024
Energy: 1.2485241231549429
Energy: 1.5962425642392462
Energy: 1.2485318220743196
Energy: 1.596242564246151
Energy: 1.2485241231075954
Energy: 1.5962425642451645
Energy: 1.3705578996160699
Energy: 1.275374553166428
Energy: 1.3705578996195222
Energy: 1.2753745531659348
Energy: 1.3705578996111378
Energy: 1.2753745531624825
Energy: 1.3352213878459134
Energy: 1.2037082055660624
Energy: 1.3352213878469
Energy: 1.2037082055709947
Energy: 1.3352213878429542
Energy: 1.2037082055714878
Energy: 1.218349750061786
Energy: 1.198391942345452
Energy: 1.2183497500652383
Energy: 1.1983919423479181
Energy: 1.218349750064745
Energy: 1.1983919423479181

minimum gb energy = 1.0951099718639583 eV
minimum distance =  2.29134251330152 Angstroms
sigma value = 43


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

Energy: 1.4188118456371757
Energy: 1.200871468344442
Energy: 1.4188118456371757
Energy: 1.2008714683450479
Energy: 1.4188118456371757
Energy: 1.200871468344442
Energy: 1.2340782966556396
Energy: 1.1367111618628236
Energy: 1.234078296656851
Energy: 1.1367111618622179
Energy: 1.2340782966562454
Energy: 1.1367111618634294
Energy: 1.3129315984316063
Energy: 1.350304781157604
Energy: 1.3129315984303946
Energy: 1.35030478115821
Energy: 1.3129315984316063
Energy: 1.350304781157604
Energy: 1.2032537272770845
Energy: 1.168929221347758
Energy: 1.203253727276479
Energy: 1.168929221347758
Energy: 1.203253727276479
Energy: 1.1689292213471525
Energy: 1.2308223379976637
Energy: 1.2201801190403108
Energy: 1.2308223379970582
Energy: 1.2201801190403108
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Energy: 1.2201801190403108
Energy: 1.1709045629130514
Energy: 1.2309196467280281
Energy: 1.1709045629154748
Energy: 1.2309196467268164
Energy: 1.1709045629124457
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Energy: 1.2915089824372996
Energy: 1.3671180787015773
Energy: 1.2915089824366939
Energy: 1.3671180787009718
Energy: 1.2915089824372996
Energy: 1.3671180787015773
Energy: 1.1779887362939245
Energy: 1.2726591963037925
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Energy: 1.2726591963043985
Energy: 1.1779887362939245
Energy: 1.2726591963037925
Energy: 1.326773544289737
Energy: 1.110562764269939
Energy: 1.326773544290343
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Energy: 1.3267735442891313
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Energy: 1.1642383960503235
Energy: 1.3758547485445898
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Energy: 1.375854748543984
Energy: 1.1642383960503235
Energy: 1.375854748543984
Energy: 1.3062905794053175
Energy: 1.1386584611233468
Energy: 1.3062905794047115
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Energy: 1.1386584611251642
Energy: 1.1778690426366893
Energy: 1.2148940926216258
Energy: 1.1778690426366893
Energy: 1.2148940926228373
Energy: 1.1778690426372949
Energy: 1.2148940926228373
Energy: 1.2741240660989201
Energy: 1.2307934189359566
Energy: 1.2741240660977087
Energy: 1.2307934189365624
Energy: 1.27412406605409
Energy: 1.2307934189365624
Energy: 1.1116291116581705
Energy: 1.347504651769226
Energy: 1.1116291116581705
Energy: 1.3475046517686202
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Energy: 1.3475046517686202
Energy: 1.2043082254526065
Energy: 1.2244351178611552
Energy: 1.204308225453818
Energy: 1.2244351178611552
Energy: 1.204308225453212
Energy: 1.2244351178611552
Energy: 1.1893248340511704
Energy: 1.2620764730626173
Energy: 1.1893248340511704
Energy: 1.262076473063223
Energy: 1.1893248340511704
Energy: 1.2620764730626173
Energy: 1.2917796058845372
Energy: 1.1369159675708171
Energy: 1.2917796058857487
Energy: 1.1369159675696054
Energy: 1.2917796058845372
Energy: 1.1369159675708171
Energy: 1.297962204390884
Energy: 1.1989981340297886
Energy: 1.2979622043884609
Energy: 1.1989981340297886
Energy: 1.2979622043878551
Energy: 1.1989981340297886
Energy: 1.2584403567343696
Energy: 1.1579780667028097
Energy: 1.2584403567337636
Energy: 1.1579780667040214
Energy: 1.2584403567343696
Energy: 1.1579780667058388
Energy: 1.2917067298824123
Energy: 1.2477985762704373
Energy: 1.291706729883624
Energy: 1.2477985762698316
Energy: 1.291706729883624
Energy: 1.2477985762704373
Energy: 1.1891507423139727
Energy: 1.2001837868324479
Energy: 1.1891507423145782
Energy: 1.2001837868318423
Energy: 1.1891507423139727
Energy: 1.2001837868324479
Energy: 1.2596856138866614
Energy: 1.235624380168325
Energy: 1.2596856138872672
Energy: 1.235624380168325
Energy: 1.2596856138866614
Energy: 1.235624380168325
Energy: 1.1117642490381805
Energy: 1.2602002110238881
Energy: 1.1117642490381805
Energy: 1.2602002110238881
Energy: 1.1117642490381805
Energy: 1.2602002110238881
Energy: 1.2766625506410427
Energy: 1.231015543096809
Energy: 1.2766625506410427
Energy: 1.231015543096809
Energy: 1.2766625506422544
Energy: 1.231015543097415
Energy: 1.1778784442805976
Energy: 1.1784920179051206
Energy: 1.1778784442817818
Energy: 1.1784920179045146
Energy: 1.1778784442812036
Energy: 1.1784920179045146
Energy: 1.2973060834278423
Energy: 1.2165206884039128
Energy: 1.2973060834272365
Energy: 1.2165206884039128
Energy: 1.2973060834278423
Energy: 1.21652068840573
Energy: 1.2149450922443181
Energy: 1.325228647314026
Energy: 1.2149450922437122
Energy: 1.3252286473152377
Energy: 1.2149450922437122
Energy: 1.325228647314632
Energy: 1.3260784112971713
Energy: 1.2093077328405244
Energy: 1.3260784112983826
Energy: 1.2093077328393127
Energy: 1.3260784112983826
Energy: 1.2093077328399184
Energy: 1.1777624374202846
Energy: 1.2764001271811827
Energy: 1.1777624374214963
Energy: 1.2764001271811827
Energy: 1.1777624374202846
Energy: 1.2764001271805767
Energy: 1.2460333092664453
Energy: 1.2704655412923058
Energy: 1.2460333092658393
Energy: 1.2704655412923058
Energy: 1.2460333092664453
Energy: 1.2704655412917
Energy: 1.1710222403918948
Energy: 1.2316317946018112
Energy: 1.1710222403943182
Energy: 1.2316317946030229
Energy: 1.1710222403943182
Energy: 1.231631794599994

minimum gb energy = 1.110562764269939 eV
minimum distance =  2.25964058928002 Angstroms
sigma value = 57


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

Energy: 1.2465862085595716
Energy: 1.10046897179624
Energy: 1.2465862085572184
Energy: 1.1004689717954557
Energy: 1.2465862085587873
Energy: 1.10046897179624
Energy: 1.1668838149862368
Energy: 1.0443607332140024
Energy: 1.1668838149862368
Energy: 1.0443607332140024
Energy: 1.1668838149870213
Energy: 1.0443607332140024
Energy: 1.2180876509407395
Energy: 1.309378756887525
Energy: 1.2180876509391705
Energy: 1.3093787568883097
Energy: 1.2180876509391705
Energy: 1.3093787568883097
Energy: 1.515128270450107
Energy: 1.2148739404288385
Energy: 1.515128270450107
Energy: 1.214873940428054
Energy: 1.515128270450107
Energy: 1.214873940428054
Energy: 1.1968504304004086
Energy: 1.2144756607724394
Energy: 1.1968504303996241
Energy: 1.2144756607716551
Energy: 1.1968504303988396
Energy: 1.2144756607724394
Energy: 1.2182653121070501
Energy: 1.1569222635435674
Energy: 1.2182653121062657
Energy: 1.1569222635435674
Energy: 1.2182653121039126
Energy: 1.1569222635435674
Energy: 1.21427886166008
Energy: 1.168682920634878
Energy: 1.2142788616608642
Energy: 1.168682920636447
Energy: 1.21427886166008
Energy: 1.168682920634878
Energy: 1.2482368138942115
Energy: 1.1042194656389328
Energy: 1.2482368138942115
Energy: 1.1042194656381483
Energy: 1.2482368138942115
Energy: 1.1042194656381483
Energy: 1.1965242417960305
Energy: 1.0446336888181686
Energy: 1.1965242417928927
Energy: 1.0446336888165997
Energy: 1.1965242417960305
Energy: 1.044633688817384
Energy: 1.0528031288316637
Energy: 1.1708611709442611
Energy: 1.0528031288308795
Energy: 1.1708611709442611
Energy: 1.0528031288316637
Energy: 1.1708611709434769
Energy: 1.2139998395772573
Energy: 1.217000564751537
Energy: 1.2139998395788263
Energy: 1.217000564751537
Energy: 1.2139998395772573
Energy: 1.2170005647507525
Energy: 1.203078422592512
Energy: 1.2629388977179383
Energy: 1.2030784225932964
Energy: 1.2629388977187224
Energy: 1.2030784225932964
Energy: 1.2629388977171538
Energy: 1.202126316939434
Energy: 1.044588105580184
Energy: 1.2021263169402183
Energy: 1.044588105580184
Energy: 1.2021263169425715
Energy: 1.0445881055809685
Energy: 1.3385994421651919
Energy: 1.0533868594705411
Energy: 1.3385994421651919
Energy: 1.0533868594697569
Energy: 1.3385994421651919
Energy: 1.0533868594697569
Energy: 1.1985193242339878
Energy: 1.0503178345610735
Energy: 1.198519324234772
Energy: 1.050317834561858
Energy: 1.1985193242339878
Energy: 1.0503178345610735
Energy: 1.191527977273211
Energy: 1.1448510263374705
Energy: 1.191527977273211
Energy: 1.1448510263374705
Energy: 1.1915279772739955
Energy: 1.1448510263374705
Energy: 1.0518849984342198
Energy: 1.1673657835109013
Energy: 1.0518849984350043
Energy: 1.1673657835109013
Energy: 1.0518849984350043
Energy: 1.1673657835109013
Energy: 1.211395349534155
Energy: 1.2079405129298455
Energy: 1.211395349534155
Energy: 1.2079405129306295
Energy: 1.211395349534155
Energy: 1.2079405129298455
Energy: 1.0518796182623
Energy: 1.1672616087459644
Energy: 1.0518796182615155
Energy: 1.1672616087459644
Energy: 1.0518796182623
Energy: 1.1672616087459644
Energy: 1.1915314948545812
Energy: 1.1448378620492186
Energy: 1.191531494853797
Energy: 1.1448378620492186
Energy: 1.1915314948545812
Energy: 1.144837862050003
Energy: 1.1985370707768284
Energy: 1.0503093595042676
Energy: 1.1985370707768284
Energy: 1.050309359506585
Energy: 1.1985370707760439
Energy: 1.0503093595058006
Energy: 1.3386051145643465
Energy: 1.1155120460147065
Energy: 1.3386051145643465
Energy: 1.11551204601706
Energy: 1.3386051145643465
Energy: 1.115512046015491
Energy: 1.2022207887594205
Energy: 1.0446526902116346
Energy: 1.202220788758636
Energy: 1.0446526902116346
Energy: 1.2022207887578515
Energy: 1.044652690212419
Energy: 1.2031102797153017
Energy: 1.262898732399739
Energy: 1.2031102797168705
Energy: 1.2628987324013077
Energy: 1.203110279716086
Energy: 1.2628987323981702

minimum gb energy = 1.0443607332140024 eV
minimum distance =  2.24506589353468 Angstroms
sigma value = 17


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

Energy: 1.1720642475777745
Energy: 1.0439847952016656
Energy: 1.1720642475777745
Energy: 1.0439847952016656
Energy: 1.1720642475777745
Energy: 1.0439847952016656
Energy: 1.0029781395642234
Energy: 0.9914455089125885
Energy: 1.0029781395631143
Energy: 0.9914455089125885
Energy: 1.0029781395642234
Energy: 0.9914455089136978
Energy: 1.1705213017914544
Energy: 1.173988912927572
Energy: 1.1705213017914544
Energy: 1.173988912927572
Energy: 1.1705213017914544
Energy: 1.173988912927572
Energy: 0.9420581089356478
Energy: 1.1799282998279044
Energy: 0.9420581089356478
Energy: 1.1799282998279044
Energy: 0.9420581089356478
Energy: 1.1799282998267953
Energy: 1.1644311950454884
Energy: 1.1057123566255231
Energy: 1.164431195044379
Energy: 1.1057123566255231
Energy: 1.164431195044379
Energy: 1.1057123566266325
Energy: 1.0698562899821715
Energy: 1.1389498358634904
Energy: 1.0698562899821715
Energy: 1.1389498358623815
Energy: 1.0698562899821715
Energy: 1.1389498358623815
Energy: 1.0895719989886918
Energy: 1.0027534549493864
Energy: 1.0895719989886918
Energy: 1.0027534549493864
Energy: 1.0895719989886918
Energy: 1.0027534549493864
Energy: 0.9419885303884866
Energy: 1.173546418144813
Energy: 0.9419885303884866
Energy: 1.1735460669120086
Energy: 0.9419885303884866
Energy: 1.1735451133756012
Energy: 1.1470672409543847
Energy: 0.9913626895586432
Energy: 1.1470672409543847
Energy: 0.9913626895586432
Energy: 1.1470672409543847
Energy: 0.9913626895586432
Energy: 1.0686651575819728
Energy: 1.0054328437279896
Energy: 1.0686651575819728
Energy: 1.0054328437268802
Energy: 1.0686651575819728
Energy: 1.0054328437279896
Energy: 1.051232261934192
Energy: 1.0520841723451393
Energy: 1.051232261934192
Energy: 1.0520841723451393
Energy: 1.051232261934192
Energy: 1.0520841723451393
Energy: 1.135559077483496
Energy: 1.1132188827193226
Energy: 1.1355590774790587
Energy: 1.1132188827193226
Energy: 1.1355590774491076
Energy: 1.1132188827193226
Energy: 0.9422599187534991
Energy: 1.1373097671878134
Energy: 0.9422599187534991
Energy: 1.1373097671878134
Energy: 0.9422599187534991
Energy: 1.1373097671878134
Energy: 1.0676179285179177
Energy: 1.1518700974488163
Energy: 1.0676179285190268
Energy: 1.1518700974488163
Energy: 1.0676179285190268
Energy: 1.1518700974488163
Energy: 1.0677251775996355
Energy: 1.1150475696412279
Energy: 1.0677251775996355
Energy: 1.1150475696423374
Energy: 1.0677251775996355
Energy: 1.1150475696412279
Energy: 1.0676753520286144
Energy: 1.407502190723252
Energy: 1.0676753520297235
Energy: 1.407502190723252
Energy: 1.067675352027505
Energy: 1.4075021907221426
Energy: 1.066048277491285
Energy: 1.1498227658491575
Energy: 1.066048277491285
Energy: 1.1498227658502669
Energy: 1.066048277491285
Energy: 1.1498227658491575

minimum gb energy = 0.9419885303884866 eV
minimum distance =  2.30193494110835 Angstroms
sigma value = 17


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

Energy: 1.0625289227735244
Energy: 0.9503264171326631
Energy: 1.0625289227730963
Energy: 0.9503264171326631
Energy: 1.062528922772668
Energy: 0.9503264171326631
Energy: 0.9827249691270112
Energy: 1.0296717798397057
Energy: 0.9827249691261545
Energy: 1.0296717798392772
Energy: 0.9827249691261545
Energy: 1.0296717798392772
Energy: 1.0194249874645605
Energy: 1.0253019545103148
Energy: 1.019424987466274
Energy: 1.0253019545103148
Energy: 1.019424987466274
Energy: 1.0253019545103148
Energy: 0.9879790351441247
Energy: 1.0138660016402703
Energy: 0.9879790351441247
Energy: 1.0138660016402703
Energy: 0.9879790351441247
Energy: 1.0138660016402703
Energy: 0.9586817661888741
Energy: 0.9118855430585409
Energy: 0.9586817661880174
Energy: 0.9118855430581124
Energy: 0.9586817661905876
Energy: 0.911885543057684
Energy: 1.0210708158469322
Energy: 0.9620097147108834
Energy: 1.0210708158473607
Energy: 0.9620097147113118
Energy: 1.021070815845647
Energy: 0.9620097147117402
Energy: 0.9610958381706332
Energy: 0.9600095460906537
Energy: 0.9610958381723466
Energy: 0.9600095460906537
Energy: 0.9610958381719183
Energy: 0.9600095460906537
Energy: 1.0677384225349822
Energy: 1.0698831374211397
Energy: 1.0677384225345539
Energy: 1.069883137420283
Energy: 1.0677384225366957
Energy: 1.0698831374211397
Energy: 1.0008935000556662
Energy: 1.0129957087326902
Energy: 1.0008935000569514
Energy: 1.0129957087301198
Energy: 1.0008935000573795
Energy: 1.0129957087318333
Energy: 0.9626119922196027
Energy: 0.8690611874556592
Energy: 0.9626119922196027
Energy: 0.8690611874560876
Energy: 0.9626119922183566
Energy: 0.8690611874556592
Energy: 0.8836720023775168
Energy: 0.9270011258838545
Energy: 0.8836720023762316
Energy: 0.9278794378363366
Energy: 0.88367200237666
Energy: 0.9291028231401646
Energy: 1.0789185721356744
Energy: 0.9330190339651027
Energy: 1.0789185721361028
Energy: 0.9330190339651027
Energy: 1.0789185721356744
Energy: 0.9330190339646743
Energy: 0.9649340942788432
Energy: 0.9375655756439154
Energy: 0.9649340942792717
Energy: 0.9375655756430588
Energy: 0.9649340942775582
Energy: 0.9375655756426304
Energy: 0.9782389050157392
Energy: 0.9526326937035183
Energy: 0.9782389050144541
Energy: 0.9526326937043751
Energy: 0.978238905015311
Energy: 0.9526326937043751
Energy: 1.0435878330552915
Energy: 1.0365322032030442
Energy: 1.043587833051436
Energy: 1.0365322032034725
Energy: 1.0435878330531496
Energy: 1.0365322032030442
Energy: 0.8841149859036453
Energy: 1.0431624284924432
Energy: 0.8841149859027885
Energy: 1.0431624284975836
Energy: 0.8841149859040737
Energy: 0.9966092083170774
Energy: 0.9768014686317035
Energy: 1.0144270162510367
Energy: 0.9768014686312751
Energy: 1.0144270162510367
Energy: 0.9768014686304183
Energy: 1.0144270162510367
Energy: 1.025266102163944
Energy: 1.0121002962039407
Energy: 1.0252661021622302
Energy: 1.0121002962035126
Energy: 1.0252661021635154
Energy: 1.0121002962035126
Energy: 0.9746863791043925
Energy: 0.9949975707359344
Energy: 0.9746863791031073
Energy: 0.9949975707350776
Energy: 0.9746863791035357
Energy: 0.9949975707367912
Energy: 0.9753659662500312
Energy: 0.872259230076352
Energy: 0.9753659662491747
Energy: 0.872259230076352
Energy: 0.975365966250888
Energy: 0.8722592300772087
Energy: 0.9746594595691082
Energy: 0.9951243859299951
Energy: 0.9746594595686797
Energy: 0.9951243859291384
Energy: 0.9746594595686797
Energy: 0.9951243859317086
Energy: 1.025201717442184
Energy: 1.0121120420647
Energy: 1.0252017174443258
Energy: 1.0121120420647
Energy: 1.0252017174451822
Energy: 1.0121120420647
Energy: 0.976671748177712
Energy: 1.0140861987098837
Energy: 0.9766717481755701
Energy: 1.0140861987098837
Energy: 0.9766717481785686
Energy: 1.0140861987094552
Energy: 0.8838973110293719
Energy: 1.0799873483144264
Energy: 0.8838973110310852
Energy: 1.0799873483144264
Energy: 0.8838973110315136
Energy: 1.0799873483144264
Energy: 1.0436005986433232
Energy: 1.036610641246658
Energy: 1.0436005986437515
Energy: 1.036610641246658
Energy: 1.0436005986437515
Energy: 1.0366106412470866
Energy: 0.9783851432876646
Energy: 0.9523976970223106
Energy: 0.978385143288093
Energy: 0.9523976970231672
Energy: 0.9783851432876646
Energy: 0.9523976970227389
Energy: 0.9650012992423357
Energy: 0.937595241315908
Energy: 0.9650012992401937
Energy: 0.9375952413146229
Energy: 0.9650012992397654
Energy: 0.9375952413154797
Energy: 1.0789311247758904
Energy: 0.933146466618381
Energy: 1.078931124776747
Energy: 0.933146466618381
Energy: 1.0789311247758904
Energy: 0.9331464666188094
Energy: 0.8834895712019762
Energy: 0.927751007236104
Energy: 0.8834895712024048
Energy: 0.9279255384228997
Energy: 0.8834895712032614
Energy: 0.9286856584111944
Energy: 0.9628703710389247
Energy: 0.870460185323732
Energy: 0.9628703710376395
Energy: 0.870460185323732
Energy: 0.9628703710380678
Energy: 0.870460185323732
Energy: 1.0009340776595799
Energy: 1.0128730863683155
Energy: 1.0009340776582947
Energy: 1.0128730863691722
Energy: 1.0009340776582947
Energy: 1.0128730863683155
Energy: 1.0676374753259321
Energy: 1.0697904291638713
Energy: 1.0676374753250755
Energy: 1.0697904291625864
Energy: 1.0676374753255036
Energy: 1.0697904291617295
Energy: 0.9634563750006553
Energy: 0.9594381977129018
Energy: 0.9634563749994092
Energy: 0.9594381977116168
Energy: 0.9634563750002662
Energy: 0.9594381977111883
Energy: 1.0208519686172226
Energy: 0.9276186412690508
Energy: 1.020851968618936
Energy: 0.9276186412686223
Energy: 1.020851968617651
Energy: 0.9276186412686223
Energy: 0.9586160488474273
Energy: 0.9117527554134541
Energy: 0.958616048844857
Energy: 0.9117527554095988
Energy: 0.9586160488461422
Energy: 0.9117527554100272
Energy: 0.9882642798196676
Energy: 1.0292408132847937
Energy: 0.9882642798196676
Energy: 1.0292408132847937
Energy: 0.9882642798196676
Energy: 1.0292408132847937
Energy: 1.0199070564689232
Energy: 1.025059078810161
Energy: 1.0199070564650679
Energy: 1.025059078809733
Energy: 1.0199070564676382
Energy: 1.0250590788093044
Energy: 0.9828148160249962
Energy: 0.92650184674416
Energy: 0.9828148160104314
Energy: 0.9265018467445885
Energy: 0.9828148160211408
Energy: 0.92650184674416
Energy: 1.0625289227735244
Energy: 0.9503264171322349
Energy: 1.0625289227735244
Energy: 0.9503264171318064
Energy: 1.0625289227743815
Energy: 0.9503264171322349
Energy: 0.9827249691334369
Energy: 0.9189951602329182
Energy: 0.9827249691330084
Energy: 0.9189951602324897
Energy: 0.9827249691321517
Energy: 0.9189951602320614
Energy: 1.0194249874619903
Energy: 1.0253019545111715
Energy: 1.0194249874637038
Energy: 1.0253019545116
Energy: 1.0194249874632755
Energy: 1.0253019545111715
Energy: 0.9879790351449815
Energy: 1.013866001641127
Energy: 0.9879790351441247
Energy: 1.0138660016406986
Energy: 0.9879790351449815
Energy: 1.0138660016406986
Energy: 0.9586817661888741
Energy: 0.9118855430593975
Energy: 0.9586817661871606
Energy: 0.9118855430593975
Energy: 0.958681766192301
Energy: 0.9118855430593975

minimum gb energy = 0.8690611874556592 eV
minimum distance =  2.30019925583214 Angstroms
sigma value = 57


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

Energy: 0.9805048104667152
Energy: 0.8818854214189176
Energy: 0.9805048104667152
Energy: 0.88188542141822
Energy: 0.9805048104667152
Energy: 0.8818854214189176
Energy: 0.8927628983361477
Energy: 0.866981907623073
Energy: 0.8927628983347528
Energy: 0.866981907623073
Energy: 0.8927628983354503
Energy: 0.866981907623073
Energy: 1.029112963186641
Energy: 0.9510191347424712
Energy: 1.0291129631887332
Energy: 0.9510191347424712
Energy: 1.0291129631880358
Energy: 0.9510191347424712
Energy: 0.9245583765968576
Energy: 0.9800592768995824
Energy: 0.9245583765975551
Energy: 0.9800592769002798
Energy: 0.9245583765954626
Energy: 0.9800592768995824
Energy: 0.8824765639578125
Energy: 0.8588694855539264
Energy: 0.88247656396409
Energy: 0.8588694855539264
Energy: 0.8824765639578125
Energy: 0.8588694855539264
Energy: 0.9752641197194155
Energy: 0.8657028078759215
Energy: 0.975264119720113
Energy: 0.8657028078766189
Energy: 0.975264119718718
Energy: 0.8657028078766189
Energy: 0.8252821795262618
Energy: 0.9361767878401694
Energy: 0.8252821795283543
Energy: 0.936176787840867
Energy: 0.8252821795283543
Energy: 0.9361767878401694
Energy: 1.0016557482823016
Energy: 0.9018279016919035
Energy: 1.0016557482823016
Energy: 0.901827901691206
Energy: 1.0016557482809068
Energy: 0.9018279016919035
Energy: 0.8794443523797015
Energy: 0.8680912269482259
Energy: 0.8794443523783064
Energy: 0.8680912269482259
Energy: 0.8794443523783064
Energy: 0.8680912269475284
Energy: 0.8874826465739287
Energy: 0.8919659496107594
Energy: 0.8874826465767187
Energy: 0.8919659496107594
Energy: 0.8874826465753237
Energy: 0.8919659496114569
Energy: 0.8254219425288115
Energy: 1.0020212239653703
Energy: 0.825421942530904
Energy: 1.0020212239695554
Energy: 0.8254219425302065
Energy: 1.0020212239318909
Energy: 0.9251169723170367
Energy: 0.9170955708553112
Energy: 0.9251169723149442
Energy: 0.9170955708546138
Energy: 0.9251169723156417
Energy: 0.9170955708553112
Energy: 0.8855410531077861
Energy: 0.9800574020176677
Energy: 0.8855410531112733
Energy: 0.9800574020176677
Energy: 0.8855410531084835
Energy: 0.9800574020169701
Energy: 0.8853682982064119
Energy: 0.9092614546296081
Energy: 0.885368298209202
Energy: 0.9092614546268181
Energy: 0.8853682982085045
Energy: 0.9092614546268181
Energy: 0.9977733167658231
Energy: 0.9294850584405538
Energy: 0.9977733167658231
Energy: 0.9294850584398564
Energy: 0.9977733167658231
Energy: 0.9294850584391589
Energy: 0.9791428379385629
Energy: 1.004877543838514
Energy: 0.9791428379364704
Energy: 1.004877543838514
Energy: 0.9791428379371678
Energy: 1.004877543838514
Energy: 0.9096022972769306
Energy: 1.00807483236869
Energy: 0.9096022972769306
Energy: 1.0080748323693876
Energy: 0.9096022972776282
Energy: 1.0080748323693876
Energy: 0.9549240708403621
Energy: 0.9661471811697249
Energy: 0.9549240708368746
Energy: 0.9661471811697249
Energy: 0.9549240708368746
Energy: 0.9661471811690274
Energy: 0.8402962925913163
Energy: 0.9441286139576722
Energy: 0.8402962925934089
Energy: 0.9441286139597648
Energy: 0.8402962925913163
Energy: 0.9441286139597648
Energy: 0.8431539863907682
Energy: 0.9824625247379373
Energy: 0.8431539863886757
Energy: 0.9824625247379373
Energy: 0.8431539863907682
Energy: 0.9824625247386348
Energy: 0.9732399541003319
Energy: 0.9382801089492069
Energy: 0.9732399541003319
Energy: 0.9382801089492069
Energy: 0.9732399541010295
Energy: 0.9382801089492069
Energy: 0.8278851941539477
Energy: 0.9450423023036874
Energy: 0.8278851941525527
Energy: 0.9450423023043849
Energy: 0.8278851941553428
Energy: 0.9450423023050823
Energy: 0.9073599710202187
Energy: 0.9194763674749394
Energy: 0.9073599710209161
Energy: 0.9194763674749394
Energy: 0.9073599710202187
Energy: 0.9194763674749394
Energy: 0.9067620556912394
Energy: 1.1709227473822938
Energy: 0.9067620556884495
Energy: 1.170922747378109
Energy: 0.9067620556891469
Energy: 1.1709227473829913
Energy: 0.9079087331885678
Energy: 0.9603978053113668
Energy: 0.9079087331885678
Energy: 0.9603978053092742
Energy: 0.9079087331871728
Energy: 0.9603978053092742
Energy: 0.8827475877541354
Energy: 0.9201438389015307
Energy: 0.8827475877534379
Energy: 0.9201438389015307
Energy: 0.8827475877541354
Energy: 0.9201438389015307
Energy: 0.827432222621565
Energy: 0.943810927043332
Energy: 0.8274322226208675
Energy: 0.9438109270482146
Energy: 0.827432222621565
Energy: 0.9438109270426345

minimum gb energy = 0.8252821795262618 eV
minimum distance =  2.27306723407869 Angstroms
sigma value = 43


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

Energy: 0.9737408353624704
Energy: 0.8048912095299798
Energy: 0.9737408353624704
Energy: 0.8048912095294715
Energy: 0.9737408353639948
Energy: 0.8048912095294715
Energy: 0.8863059432803493
Energy: 0.8126251466261836
Energy: 0.8863059432808575
Energy: 0.8126251466266917
Energy: 0.8863059432818277
Energy: 0.8126251466246589
Energy: 0.8791531787443221
Energy: 0.8794532644028021
Energy: 0.8791531787458468
Energy: 0.8794532644028021
Energy: 0.8791531787458468
Energy: 0.8794532644028021
Energy: 0.9130561401561618
Energy: 0.8511570560563769
Energy: 0.91305614015667
Energy: 0.8511570560563769
Energy: 0.9130561401556535
Energy: 0.8511570560563769
Energy: 0.786195103184204
Energy: 0.775002517148649
Energy: 0.7861951031821713
Energy: 0.775002517148649
Energy: 0.7861951031831876
Energy: 0.775002517148649
Energy: 0.8618117990756352
Energy: 0.7870634226901144
Energy: 0.8618117990756352
Energy: 0.7870634226906227
Energy: 0.8618117990761435
Energy: 0.7870634226906227
Energy: 0.7955586560964174
Energy: 0.8305245616458443
Energy: 0.795558656094893
Energy: 0.8305245616453361
Energy: 0.7955586560969256
Energy: 0.8305245616458443
Energy: 1.0659481147623648
Energy: 0.7646482378619245
Energy: 1.065948114760332
Energy: 0.7646482378614163
Energy: 1.0659481147633811
Energy: 0.7646482378603998
Energy: 0.8049984919011318
Energy: 0.7775819379113936
Energy: 0.8049984919021482
Energy: 0.7775819379113936
Energy: 0.8049984919016399
Energy: 0.7775819379113936
Energy: 0.7948333055610038
Energy: 0.7808749414941142
Energy: 0.7948333055610038
Energy: 0.7808749414941142
Energy: 0.7948333055620203
Energy: 0.7808749414936059
Energy: 0.8858095405531549
Energy: 0.8573604281227964
Energy: 0.8858095405526467
Energy: 0.8573604281227964
Energy: 0.8858095405526467
Energy: 0.8573604281227964
Energy: 0.750734388937344
Energy: 0.776375086539899
Energy: 0.7507343889388687
Energy: 0.776375086539899
Energy: 0.7507343889383605
Energy: 0.776375086539899
Energy: 0.7945860972697427
Energy: 0.7416372827030636
Energy: 0.7945860972707591
Energy: 0.7416372827020472
Energy: 0.7945860972697427
Energy: 0.7416372827020472
Energy: 0.8847422108246632
Energy: 0.8584321075155008
Energy: 0.8847422108236468
Energy: 0.8584321075149927
Energy: 0.8847422108241549
Energy: 0.8584321075149927
Energy: 0.7806476385204355
Energy: 0.7760764438824624
Energy: 0.780647638518911
Energy: 0.7760764438824624
Energy: 0.7806476385204355
Energy: 0.776076443883987
Energy: 0.8192041482799891
Energy: 0.831533404390628
Energy: 0.8192041482810055
Energy: 0.831533404390628
Energy: 0.8192041482815137
Energy: 0.831533404390628
Energy: 0.7967384822337283
Energy: 0.854020650159325
Energy: 0.7967384822332202
Energy: 0.8540206501588169
Energy: 0.7967384822337283
Energy: 0.8540206501588169
Energy: 0.8120513801371095
Energy: 0.776145817511602
Energy: 0.8120513801376176
Energy: 0.776145817511602
Energy: 0.8120513801371095
Energy: 0.7761458175110939
Energy: 0.7897916872398503
Energy: 0.8799801645395524
Energy: 0.7897916872408667
Energy: 0.8799801645400607
Energy: 0.7897916872398503
Energy: 0.8799801645400607
Energy: 0.8196640374476419
Energy: 0.8589001876615497
Energy: 0.8196640374496748
Energy: 0.8589001876620581
Energy: 0.8196640374486585
Energy: 0.8589001876610416
Energy: 0.872834097413149
Energy: 0.8122099626729236
Energy: 0.872834097413149
Energy: 0.812209962671907
Energy: 0.8728340974151818
Energy: 0.812209962671907
Energy: 0.8077946803169063
Energy: 0.8038681075456016
Energy: 0.8077946803169063
Energy: 0.8038681075445852
Energy: 0.8077946803174145
Energy: 0.8038681075450934
Energy: 0.9287444776621626
Energy: 0.8786067769456642
Energy: 0.9287444776616546
Energy: 0.8786067769461723
Energy: 0.9287444776616546
Energy: 0.8786067769466807
Energy: 0.8318995645702097
Energy: 0.9200245758620594
Energy: 0.8318995645732588
Energy: 0.9200245758620594
Energy: 0.8318995645636031
Energy: 0.9200245758620594
Energy: 0.8310460764892197
Energy: 0.7623278405147528
Energy: 0.8310460764902361
Energy: 0.7623278405127663
Energy: 0.8310460764897281
Energy: 0.7623278405127663
Energy: 0.7696285008144546
Energy: 0.8509280797289324
Energy: 0.769628500815471
Energy: 0.8509280797284242
Energy: 0.7696285008149628
Energy: 0.8509280797289324
Energy: 0.8527191580031548
Energy: 0.8706771466564059
Energy: 0.8527191580046793
Energy: 0.8706771466574224
Energy: 0.8527191580046793
Energy: 0.8706771466564059
Energy: 0.7892449847329254
Energy: 0.7596821063514856
Energy: 0.7892449847329254
Energy: 0.75968210635301
Energy: 0.7892449847324172
Energy: 0.75968210635301
Energy: 0.7687393105359649
Energy: 0.8053111070842762
Energy: 0.7687393105369813
Energy: 0.8053111070868172
Energy: 0.768739310536473
Energy: 0.8053111070852927
Energy: 0.7769057520962276
Energy: 0.8450307812531599
Energy: 0.7769057520957194
Energy: 0.8450307812531599
Energy: 0.7769057520962276
Energy: 0.8450307812531599
Energy: 0.8190353064737032
Energy: 1.0677512662489774
Energy: 0.7351704022785238
Energy: 1.0677512662484694
Energy: 0.7351704022795403
Energy: 1.0677512662484694
Energy: 0.7693216767841748
Energy: 0.7695225095212959
Energy: 0.7693216767862077
Energy: 0.7695225095218039
Energy: 0.7693216767856995
Energy: 0.7695225095218039
Energy: 0.7489174050581555
Energy: 0.7628144999443537
Energy: 0.748917405056631
Energy: 0.7628144999448618
Energy: 0.7489174050586637
Energy: 0.7628144999438916
Energy: 0.8883583231509486
Energy: 0.9645852713118883
Energy: 0.8883583231514568
Energy: 0.9645852713113799
Energy: 0.8883583231524731
Energy: 0.9645852713118883
Energy: 0.7705549458175861
Energy: 0.7446845770497345
Energy: 0.7705549458165697
Energy: 0.7446845770492262
Energy: 0.7705549458175861
Energy: 0.7446845770502426
Energy: 0.6941609320243927
Energy: 0.7628277938621446
Energy: 0.6941609320238845
Energy: 0.76282779386062
Energy: 0.6941609320249008
Energy: 0.7628277938611284

minimum gb energy = 0.6941609320238845 eV
minimum distance =  2.26870011692803 Angstroms
sigma value = 81


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

Energy: 0.08670512177686444
Energy: 0.13705730377704295
Energy: 0.08670512177686444
Energy: 0.13705730377704295
Energy: 0.08670512177686444
Energy: 0.13705730377704295
Energy: 0.8854367262592421
Energy: 0.08788875097058177
Energy: 0.8854367262611095
Energy: 0.08788875096871453
Energy: 0.8854367262611095
Energy: 0.08788875096871453
Energy: 0.8854380560076837
Energy: 0.08750332713386677
Energy: 0.8854380560076837
Energy: 0.087503327135734
Energy: 0.8854380560076837
Energy: 0.08750332713946846
Energy: 0.08670512177686444
Energy: 0.13705730377704295
Energy: 0.08670512177686444
Energy: 0.13705730377704295
Energy: 0.08670512177686444
Energy: 0.13705730377704295
Energy: 0.8854367262611095
Energy: 0.087888750972449
Energy: 0.8854367262592421
Energy: 0.08788875097058177
Energy: 0.8854367262611095
Energy: 0.087888750972449
Energy: 0.8854380560076837
Energy: 0.08750332713199954
Energy: 0.8854380560076837
Energy: 0.08750332713386677
Energy: 0.8854380560076837
Energy: 0.087503327135734
Energy: 0.08670512177686444
Energy: 0.13705730377704295
Energy: 0.08670512177686444
Energy: 0.13705730377704295
Energy: 0.08670512177686444
Energy: 0.13705730377704295
Energy: 0.8854367262592421
Energy: 0.08788875096871453
Energy: 0.8854367262611095
Energy: 0.08788875096871453
Energy: 0.8854367262611095
Energy: 0.087888750972449
Energy: 0.8854380560076837
Energy: 0.087503327135734
Energy: 0.8854380560076837
Energy: 0.08750332713760124
Energy: 0.8854380560076837
Energy: 0.087503327135734
Energy: 0.08670512177686444
Energy: 0.13705730377704295
Energy: 0.08670512177686444
Energy: 0.13705730377704295
Energy: 0.08670512177686444
Energy: 0.13705730377704295

minimum gb energy = 0.08670512177686444 eV
minimum distance =  2.46549084644649 Angstroms
sigma value = 3


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

Energy: 0.9376148535508839
Energy: 0.7750693189639927
Energy: 0.937614853550325
Energy: 0.7750693189639927
Energy: 0.937614853550325
Energy: 0.7750693189634339
Energy: 0.7827837368838916
Energy: 0.8055753490591772
Energy: 0.7827837368844504
Energy: 0.8055753490597358
Energy: 0.7827837368833327
Energy: 0.8055753490647648
Energy: 0.8143030074062206
Energy: 0.805795654885538
Energy: 0.8143030074067793
Energy: 0.8057956548838616
Energy: 0.8143030074056617
Energy: 0.805795654885538
Energy: 0.8815065242160559
Energy: 0.7952828337698181
Energy: 0.8815065242182911
Energy: 0.7952828337698181
Energy: 0.8815065242166148
Energy: 0.7952828337692592
Energy: 0.6673305453930121
Energy: 0.786444229758806
Energy: 0.6673305453930121
Energy: 0.7864442297537769
Energy: 0.6673305453935708
Energy: 0.786444229761041
Energy: 0.8213886623638647
Energy: 0.8632054641812164
Energy: 0.8213886623644232
Energy: 0.8632054641806575
Energy: 0.8213886623633058
Energy: 0.8632054641795399
Energy: 0.8348387027635543
Energy: 0.8787152917571104
Energy: 0.8348387027646719
Energy: 0.8787152917559929
Energy: 0.834838702764113
Energy: 0.8787152917565518
Energy: 0.6630090145398942
Energy: 0.7858893401438318
Energy: 0.6630090145393355
Energy: 0.7858893401376853
Energy: 0.6630090145393355
Energy: 0.785889340141038
Energy: 0.8350039979098235
Energy: 0.8412929385853439
Energy: 0.8350039979114998
Energy: 0.8412929385881378
Energy: 0.835003997910941
Energy: 0.8412929385886967
Energy: 0.7607279759877217
Energy: 0.8187100728484383
Energy: 0.7607279759882805
Energy: 0.8187100728511814
Energy: 0.7607279759910743
Energy: 0.818710072848997
Energy: 0.7188708031682127
Energy: 0.7880854573351366
Energy: 0.7188708031687716
Energy: 0.7880854573351366
Energy: 0.7188708031687716
Energy: 0.7880854573345778
Energy: 0.8642758250560101
Energy: 0.8714675405254215
Energy: 0.8642758250548925
Energy: 0.8714675405243039
Energy: 0.8642758250560101
Energy: 0.8714675405243039
Energy: 0.7949801371797434
Energy: 0.8003885206391721
Energy: 0.7949801371428642
Energy: 0.8003885206391721
Energy: 0.7949801371937126
Energy: 0.8003885206391721
Energy: 0.7366359520614459
Energy: 0.8475508689576163
Energy: 0.7366359520614459
Energy: 0.8475508689564988
Energy: 0.7366359520631224
Energy: 0.8475508689553812
Energy: 0.8807481274421338
Energy: 0.8384822829011923
Energy: 0.8807481274421338
Energy: 0.8384822829034274
Energy: 0.8807481274415749
Energy: 0.8384822828978395
Energy: 0.7662334956912409
Energy: 0.6625737165595296
Energy: 0.7662334956917997
Energy: 0.6625737165600883
Energy: 0.7662334956917997
Energy: 0.6625737165595296
Energy: 0.7885694623406608
Energy: 0.8715934120574541
Energy: 0.7885694623406608
Energy: 0.8715934120574541
Energy: 0.7885694623406608
Energy: 0.8715934120574541
Energy: 0.8245185700433629
Energy: 0.8103197797797689
Energy: 0.8245185700411277
Energy: 0.8103197797814453
Energy: 0.8245185700422455
Energy: 0.8103197797814453
Energy: 0.8248825408786905
Energy: 0.9004925822655362
Energy: 0.8248825408814843
Energy: 0.900492582266095
Energy: 0.8248825408809255
Energy: 0.900492582266095
Energy: 0.7726772717006896
Energy: 0.920804978844707
Energy: 0.7726772717006896
Energy: 0.9208049788441482
Energy: 0.7726772716995721
Energy: 0.9208049788441482
Energy: 0.8620410548034394
Energy: 0.7877642453733255
Energy: 0.8620410548051156
Energy: 0.787764245372208
Energy: 0.862041054804557
Energy: 0.787764245372208
Energy: 0.8477069306911225
Energy: 0.7856034706656778
Energy: 0.8477069307414122
Energy: 0.7856034706651189
Energy: 0.8477069317852534
Energy: 0.7856034706656778
Energy: 0.7979475966196099
Energy: 0.8973875805761232
Energy: 0.7979475966251977
Energy: 0.897387580576682
Energy: 0.7979475966257564
Energy: 0.8973875805772408
Energy: 0.8157514352297545
Energy: 0.7850700960349841
Energy: 0.8157514352297545
Energy: 0.7850700960344253
Energy: 0.8157514352303131
Energy: 0.7850700960344253
Energy: 0.877468699821937
Energy: 0.8187398115894798
Energy: 0.8774686998247306
Energy: 0.8187398115905973
Energy: 0.8774686998257974
Energy: 0.8187398115878034
Energy: 0.7603495914976003
Energy: 0.8573000664654101
Energy: 0.7603495914959241
Energy: 0.857300066462616
Energy: 0.7603495914964828
Energy: 0.857300066462616
Energy: 0.9179564034824407
Energy: 0.6728737594820262
Energy: 0.9179564034835582
Energy: 0.6728737594820262
Energy: 0.9179564034829993
Energy: 0.6728737594820262
Energy: 0.8350494786915043
Energy: 0.8347698432593791
Energy: 0.8350494786909454
Energy: 0.8347698432588202
Energy: 0.8350494786915043
Energy: 0.8347698432588202
Energy: 0.7352020432690571
Energy: 0.7854335467088832
Energy: 0.7352020432690571
Energy: 0.7854335467066481
Energy: 0.7352020432690571
Energy: 0.7854335467032955
Energy: 0.9119251408903658
Energy: 0.7346689338767424
Energy: 0.9119251408909247
Energy: 0.7346689338756249
Energy: 0.9119251408898069
Energy: 0.7346689338745074
Energy: 0.8621470816369141
Energy: 0.8274997208287627
Energy: 0.8621470816352378
Energy: 0.8274997208282038
Energy: 0.8621470816357967
Energy: 0.8274997208276451
Energy: 0.8163803742443193
Energy: 0.7743507723229337
Energy: 0.8163803742448782
Energy: 0.7743507723240511
Energy: 0.8163803742448782
Energy: 0.7743507723206986
Energy: 0.8382313917545455
Energy: 0.8853294196513614
Energy: 0.8382313917551043
Energy: 0.8853294196513614
Energy: 0.8382313917551043
Energy: 0.8853294196513614

minimum gb energy = 0.6625737165595296 eV
minimum distance =  2.33257706147246 Angstroms
sigma value = 67


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

Energy: 1.0870030777897584
Energy: 0.9501831094582068
Energy: 1.0870030777889623
Energy: 0.9501831094582068
Energy: 1.0870030777889623
Energy: 0.9501831094582068
Energy: 0.9479313467695784
Energy: 0.9736585132393285
Energy: 0.947931346768782
Energy: 0.9736585132401249
Energy: 0.9479313467703745
Energy: 0.9736585132401249
Energy: 1.0154950826290459
Energy: 0.9846275679049733
Energy: 1.0154950826282498
Energy: 0.9846275679121388
Energy: 1.0154950826282498
Energy: 0.9846275679113428
Energy: 1.0396657900861457
Energy: 0.9345330795291985
Energy: 1.0396657900861457
Energy: 0.9345330795379567
Energy: 1.0396657900853499
Energy: 0.9345330795291985
Energy: 0.8277624241370181
Energy: 0.9278494647587495
Energy: 0.8277624241370181
Energy: 0.9278494647587495
Energy: 0.8277624241378142
Energy: 0.9278494647595457
Energy: 1.0167944796485864
Energy: 1.01738762312408
Energy: 1.0167944796477901
Energy: 1.01738762312408
Energy: 1.016794479646994
Energy: 1.0173876231256724
Energy: 0.9453831532368867
Energy: 1.0380261089814404
Energy: 0.9453831532368867
Energy: 1.0380261089814404
Energy: 0.9453831532368867
Energy: 1.0380261089814404
Energy: 0.9137351708442629
Energy: 0.9178496898926604
Energy: 0.9137351708418745
Energy: 0.9178496898918642
Energy: 0.9137351708378935
Energy: 0.9178496898934567
Energy: 1.0770639385146763
Energy: 1.067817762457483
Energy: 1.0770639385154726
Energy: 1.0678177624566867
Energy: 1.0770639385146763
Energy: 1.067817762457483
Energy: 0.9409395407763868
Energy: 1.0164125597913796
Energy: 0.940939540777979
Energy: 1.0164125597905833
Energy: 0.9409395407739983
Energy: 1.0164125597905833
Energy: 1.0438225611025478
Energy: 1.0167634360703253
Energy: 1.0438225611025478
Energy: 1.0167634360703253
Energy: 1.0438225611017515
Energy: 1.0167634360703253
Energy: 0.9465599978766767
Energy: 0.9995458049302732
Energy: 0.946559997877473
Energy: 0.9995458049302732
Energy: 0.946559997877473
Energy: 0.9995458049302732
Energy: 0.9454828632050564
Energy: 0.9339805183513809
Energy: 0.9454828632066486
Energy: 0.9339805183513809
Energy: 0.9454828632042601
Energy: 0.9339805183505848
Energy: 0.9323896166191203
Energy: 1.0443958126803656
Energy: 0.932389616618324
Energy: 1.0443958126795696
Energy: 0.9323896166207125
Energy: 1.0443958126803656
Energy: 0.9576026350534348
Energy: 0.9439738210489458
Energy: 0.957602635055027
Energy: 0.943973821049742
Energy: 0.9576026350534348
Energy: 0.9439738210489458
Energy: 0.9734568211174185
Energy: 0.9686578832007862
Energy: 0.9734568211221233
Energy: 0.9686578832007862
Energy: 0.9734568211174185
Energy: 0.9686578832007862
Energy: 0.9714356767905977
Energy: 1.0341801088576876
Energy: 0.9714356767921902
Energy: 1.034180108858484
Energy: 0.9714356767905977
Energy: 1.034180108858484
Energy: 0.9821265962469656
Energy: 0.9268416126044553
Energy: 0.982126596247762
Energy: 0.9268416126044553
Energy: 0.9821265962453731
Energy: 0.9268416126036592
Energy: 1.1004027982330549
Energy: 1.020991242293068
Energy: 1.100402798229074
Energy: 1.0209912422922718
Energy: 1.1004027982330549
Energy: 1.0209912422914758
Energy: 1.0798738789585984
Energy: 0.9279830297596068
Energy: 1.0798738789570062
Energy: 0.9279830297596068
Energy: 1.0798738789570062
Energy: 0.9279830297604031
Energy: 1.1166266961700682
Energy: 0.9402271403047868
Energy: 1.1166266961708646
Energy: 0.9402271403039905
Energy: 1.1166266961700682
Energy: 0.9402271403039905
Energy: 1.045353831569994
Energy: 1.1085554155720008
Energy: 1.045353831569198
Energy: 1.1085554155720008
Energy: 1.0453538315684014
Energy: 1.1085554155720008
Energy: 0.8983874182289144
Energy: 0.9287619828648122
Energy: 0.8983874182289144
Energy: 0.9287619828656082
Energy: 0.8983874182297106
Energy: 0.9287619828656082

minimum gb energy = 0.8277624241370181 eV
minimum distance =  2.33001216342883 Angstroms
sigma value = 33


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

Energy: 1.193498407758959
Energy: 1.0163187090978087
Energy: 1.1934984077599693
Energy: 1.0163187090978087
Energy: 1.193498407758454
Energy: 1.0163187090978087
Energy: 1.0489809954572775
Energy: 1.0742065664093434
Energy: 1.0489809954567724
Energy: 1.0742065664098486
Energy: 1.0489809954572775
Energy: 1.0742065664093434
Energy: 1.1289077253712103
Energy: 1.0709199143439119
Energy: 1.128907725369695
Energy: 1.0709199143454269
Energy: 1.1289077253702002
Energy: 1.0709199143413863
Energy: 1.1462566284719924
Energy: 1.0544701346387049
Energy: 1.1462566284709823
Energy: 1.0544701346382
Energy: 1.1462566284730025
Energy: 1.0544701346382
Energy: 1.0606009620567791
Energy: 1.073162553584232
Energy: 1.0606009620567791
Energy: 1.073162553584232
Energy: 1.060600962056274
Energy: 1.0731625535847371
Energy: 1.2278837845555823
Energy: 1.217130613486107
Energy: 1.2278837845560873
Energy: 1.2012386647893527
Energy: 1.2278837845560873
Energy: 1.2012386647888476
Energy: 1.047965916150093
Energy: 1.0128887638961483
Energy: 1.047965916150093
Energy: 1.012888763899684
Energy: 1.0479659161490829
Energy: 1.0128887638956432
Energy: 1.142254901111542
Energy: 1.137387961986449
Energy: 1.1422549011135623
Energy: 1.137387961986449
Energy: 1.1422549011110368
Energy: 1.137387961986449
Energy: 1.0606910817124924
Energy: 1.1370803078792047
Energy: 1.0606910817124924
Energy: 1.1370803078792047
Energy: 1.0606910817109774
Energy: 1.1370803078792047
Energy: 1.111852641941194
Energy: 1.071879643569422
Energy: 1.1118526419396786
Energy: 1.0571199776650593
Energy: 1.111852641940689
Energy: 1.0571199776655642
Energy: 1.0837475516741324
Energy: 1.1350508880904162
Energy: 1.0837475516746373
Energy: 1.1350508880904162
Energy: 1.0837475516700916
Energy: 1.135050888089911
Energy: 1.0482643668074318
Energy: 1.0591040796982072
Energy: 1.0482643668054117
Energy: 1.0591040796982072
Energy: 1.0482643668064218
Energy: 1.0591040796977023
Energy: 1.1953795586835378
Energy: 1.0212874323670438
Energy: 1.1953795586825275
Energy: 1.0212874323670438
Energy: 1.1953795586840428
Energy: 1.0212874323670438
Energy: 1.065796755669556
Energy: 1.1390834903127602
Energy: 1.0657967556710712
Energy: 1.1390834903127602
Energy: 1.065796755669051
Energy: 1.1390834903127602
Energy: 1.0917578811843796
Energy: 1.076615630695891
Energy: 1.0917578811833695
Energy: 1.076615630696396
Energy: 1.0917578811843796
Energy: 1.076615630696396
Energy: 1.1461775833917847
Energy: 1.1769152849405051
Energy: 1.1461775833922898
Energy: 1.1769152849405051
Energy: 1.1461775833917847
Energy: 1.1769152849405051
Energy: 1.1703202434208775
Energy: 1.0544590025691896
Energy: 1.1703202434188573
Energy: 1.0544590025696947
Energy: 1.1703202434198674
Energy: 1.0544590025696947
Energy: 1.162713603292926
Energy: 1.157493275743908
Energy: 1.1627136032919159
Energy: 1.1574932757474437
Energy: 1.162713603293936
Energy: 1.1574932757449181
Energy: 1.0458151259595843
Energy: 1.158201665849588
Energy: 1.0458151259605946
Energy: 1.1582016658561542
Energy: 1.0458151259595843
Energy: 1.1582016658516083
Energy: 1.1993556232413143
Energy: 1.0752227730188872
Energy: 1.1993556232413143
Energy: 1.0752227730198975
Energy: 1.1993556232418192
Energy: 1.0752227730188872
Energy: 1.141875311419807
Energy: 1.144244360167193
Energy: 1.1418753114243527
Energy: 1.144244360167193
Energy: 1.141875311424858
Energy: 1.144244360167193
Energy: 1.0883128891429183
Energy: 1.0376264885093769
Energy: 1.0883128891429183
Energy: 1.0376264885093769
Energy: 1.0883128891429183
Energy: 1.0376264885093769
Energy: 1.0767866619964237
Energy: 1.1350247424493984
Energy: 1.0767866619923827
Energy: 1.1350247424493984
Energy: 1.0767866619979387
Energy: 1.1350247424499036
Energy: 1.141298095420211
Energy: 1.058230171725597
Energy: 1.1412980954237468
Energy: 1.0582301717261022
Energy: 1.1412980954227363
Energy: 1.058230171725597
Energy: 1.0483355287224907
Energy: 1.0593407249561573
Energy: 1.0483355287245113
Energy: 1.0593407249556523
Energy: 1.0483355287235012
Energy: 1.0593407249556523
Energy: 1.0956581745847387
Energy: 1.1415266580611751
Energy: 1.0956581745857488
Energy: 1.1415266580611751
Energy: 1.0956581745842338
Energy: 1.14152665806168
Energy: 1.0476723169894702
Energy: 1.0365718228667404
Energy: 1.047672316989975
Energy: 1.0365718228672456
Energy: 1.047672316989975
Energy: 1.0365718228672456
Energy: 1.1613961540852888
Energy: 1.2177891583439522
Energy: 1.1613961540842788
Energy: 1.2177891583434473
Energy: 1.1613961540842788
Energy: 1.2177891583434473
Energy: 1.2009332726437074
Energy: 1.0752445082191062
Energy: 1.2009332726447175
Energy: 1.0752445082191062
Energy: 1.2009332726406765
Energy: 1.0752445082191062
Energy: 1.0461788012650393
Energy: 1.0095119427595058
Energy: 1.0461788012630189
Energy: 1.0095119427595058
Energy: 1.0461788012640292
Energy: 1.0095119427625365
Energy: 1.216390508277562
Energy: 1.2203377817290373
Energy: 1.216390508278067
Energy: 1.2203377817290373
Energy: 1.2163905082790771
Energy: 1.2203377817285324
Energy: 1.176743507889087
Energy: 1.0748688668459578
Energy: 1.1767435078906023
Energy: 1.0748688668449478
Energy: 1.1767435078906023
Energy: 1.0748688668449478
Energy: 1.144214646726434
Energy: 1.174909047271624
Energy: 1.1442146467254235
Energy: 1.174909047271624
Energy: 1.1442146467259289
Energy: 1.174909047271624
Energy: 1.0902097208153911
Energy: 1.0740946175316786
Energy: 1.090209720814381
Energy: 1.0740946175306685
Energy: 1.090209720814886
Energy: 1.0740946175316786
Energy: 1.0589288527567713
Energy: 1.071630626800869
Energy: 1.0589288527562661
Energy: 1.071630626799354
Energy: 1.0589288527572762
Energy: 1.0716306267978388
Energy: 1.1966162754041771
Energy: 1.0185307692183383
Energy: 1.1966162754041771
Energy: 1.0185307692183383
Energy: 1.196616275402157
Energy: 1.0185307692183383
Energy: 1.0525918971585333
Energy: 1.0758347109681126
Energy: 1.0525918971590382
Energy: 1.0758347109676074
Energy: 1.0525918971585333
Energy: 1.0758347109676074

minimum gb energy = 1.0095119427595058 eV
minimum distance =  2.27412094250358 Angstroms
sigma value = 41


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

Energy: 1.3174872267286142
Energy: 1.2071162024894904
Energy: 1.3174872267286142
Energy: 1.2071162024894904
Energy: 1.3174872267272353
Energy: 1.2071162024894904
Energy: 1.1992723988325389
Energy: 1.2497535567712403
Energy: 1.1992723988325389
Energy: 1.2497535567712403
Energy: 1.1992723988325389
Energy: 1.2497535567712403
Energy: 1.399334033785409
Energy: 1.3032858363531075
Energy: 1.3935743301011254
Energy: 1.3032858363531075
Energy: 1.3935743301011254
Energy: 1.3032858363531075
Energy: 1.2755292629547192
Energy: 1.3303582412991957
Energy: 1.2755292629533403
Energy: 1.3303582412991957
Energy: 1.2755292629533403
Energy: 1.3303582413005748
Energy: 1.3204575567375154
Energy: 1.237874849692296
Energy: 1.3204575567375154
Energy: 1.237874849692296
Energy: 1.3204575567375154
Energy: 1.2378748496909169
Energy: 1.3751576765348308
Energy: 1.343391565065505
Energy: 1.3751576765362097
Energy: 1.343391565065505
Energy: 1.3751576765334517
Energy: 1.343391565065505
Energy: 1.2841611561742343
Energy: 1.1905276934623594
Energy: 1.2841611561728554
Energy: 1.1905276934623594
Energy: 1.2841611561742343
Energy: 1.1905276934623594
Energy: 1.2775357463777601
Energy: 1.2784851781905506
Energy: 1.2775357463777601
Energy: 1.2784851781905506
Energy: 1.2775357463777601
Energy: 1.2784851781905506
Energy: 1.2038402944060862
Energy: 1.2064357503751832
Energy: 1.203840294407465
Energy: 1.2064357503738043
Energy: 1.2038402944060862
Energy: 1.2064357503751832
Energy: 1.3390938992185342
Energy: 1.2119201241613078
Energy: 1.3390938992185342
Energy: 1.2119201241613078
Energy: 1.3390938992185342
Energy: 1.2119201241613078
Energy: 1.2010835494565208
Energy: 1.2869047255488928
Energy: 1.2010835494551415
Energy: 1.2869047255488928
Energy: 1.2010835494551415
Energy: 1.2869047255488928
Energy: 1.264681207849596
Energy: 1.248802766163999
Energy: 1.264681207849596
Energy: 1.248802766163999
Energy: 1.264681207849596
Energy: 1.248802766163999
Energy: 1.3028891808810568
Energy: 1.3309087239815793
Energy: 1.3028891808824359
Energy: 1.3309087239815793
Energy: 1.3028891808810568
Energy: 1.3309087239802002
Energy: 1.3179469180698842
Energy: 1.2506033486581418
Energy: 1.3179469180712635
Energy: 1.250603348659521
Energy: 1.3179469180698842
Energy: 1.250603348659521

minimum gb energy = 1.1905276934623594 eV
minimum distance =  2.23263018509476 Angstroms
sigma value = 11


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

Energy: 1.462192221447185
Energy: 1.4354527896783622
Energy: 1.4621922214447618
Energy: 1.435452789678968
Energy: 1.462192221446579
Energy: 1.435452789678968
Energy: 1.3221599412352247
Energy: 1.4176458117399386
Energy: 1.3221599412358307
Energy: 1.4176458117399386
Energy: 1.3221599412358307
Energy: 1.4176458117399386
Energy: 1.4603838458349718
Energy: 1.4091549587476928
Energy: 1.4603838458343936
Energy: 1.4091549587482988
Energy: 1.4102094530188798
Energy: 1.4091549587482988
Energy: 1.406150640417648
Energy: 1.3516490921671367
Energy: 1.4061506404182536
Energy: 1.3516490921671367
Energy: 1.4061506404182536
Energy: 1.3516490921671367
Energy: 1.4431712391899023
Energy: 1.384494358428826
Energy: 1.4431712391892964
Energy: 1.384494358428826
Energy: 1.4431712391880847
Energy: 1.384494358428826
Energy: 1.3663429648193577
Energy: 1.4216494037936265
Energy: 1.3663429648211751
Energy: 1.4216494037936265
Energy: 1.3663429648175403
Energy: 1.4216494037936265
Energy: 1.4041213285045355
Energy: 1.4000826765562027
Energy: 1.4041213285045355
Energy: 1.4000826765562027
Energy: 1.4041213285045355
Energy: 1.4000826765562027
Energy: 1.3823015174384157
Energy: 1.4050781169092057
Energy: 1.382301517437204
Energy: 1.4050781169092057
Energy: 1.3823015174402329
Energy: 1.4050781169086
Energy: 1.40525077366809
Energy: 1.381718692238119
Energy: 1.40525077366809
Energy: 1.381718692238119
Energy: 1.4052507736674842
Energy: 1.381718692238119
Energy: 1.3816580733748003
Energy: 1.419060335852466
Energy: 1.3816580733748003
Energy: 1.4190603358530718
Energy: 1.3816580733741943
Energy: 1.419060335852466
Energy: 1.3819664847393904
Energy: 1.403816398175831
Energy: 1.3819664847387845
Energy: 1.403816398175831
Energy: 1.3819664847393904
Energy: 1.403816398175831
Energy: 1.4101920198703355
Energy: 1.4317335435024665
Energy: 1.4101920198703355
Energy: 1.4317335435024665
Energy: 1.4101920198703355
Energy: 1.4317335435018606
Energy: 1.4142936935396462
Energy: 1.3752399800217312
Energy: 1.4142936935390404
Energy: 1.3752399800217312
Energy: 1.4142936935390404
Energy: 1.3752399800217312
Energy: 1.3786236964350616
Energy: 1.4380631796532755
Energy: 1.378623696436879
Energy: 1.4380631796532755
Energy: 1.378623696436879
Energy: 1.4380631796532755
Energy: 1.3590981297809017
Energy: 1.3741665697671515
Energy: 1.3590981297815077
Energy: 1.3741665697671515
Energy: 1.3590981297815077
Energy: 1.3741665697677574
Energy: 1.397745088848193
Energy: 1.3999750727336622
Energy: 1.397745088848193
Energy: 1.3999750727330562
Energy: 1.397745088848193
Energy: 1.3999750727318445
Energy: 1.3415947294339385
Energy: 1.4135969333340894
Energy: 1.3415947294339385
Energy: 1.4135969333340894
Energy: 1.3415947294339385
Energy: 1.4135969333340894
Energy: 1.4584775640505794
Energy: 1.4481330610562275
Energy: 1.4584775640505794
Energy: 1.4481330599559663
Energy: 1.4584775640505794
Energy: 1.448133057118986
Energy: 1.3630915447144838
Energy: 1.3308918865753785
Energy: 1.3630915447144838
Energy: 1.3308918865753785
Energy: 1.3630915447144838
Energy: 1.3308918865753785
Energy: 1.4119555542491937
Energy: 1.386289257983478
Energy: 1.411955554248588
Energy: 1.386289257983478
Energy: 1.4119555542491937
Energy: 1.386289257983478
Energy: 1.3331070995855763
Energy: 1.3593813090244216
Energy: 1.3331070995855763
Energy: 1.3593813090244216
Energy: 1.333107099586182
Energy: 1.3593813090244216
Energy: 1.4830300242715726
Energy: 1.434173924575006
Energy: 1.4830300242721783
Energy: 1.434173924575006
Energy: 1.4830300242715726
Energy: 1.434173924575006
Energy: 1.385760081081715
Energy: 1.4092310110714483
Energy: 1.385760081081715
Energy: 1.4092310110708428
Energy: 1.385760081081715
Energy: 1.4092310110714483
Energy: 1.4466110059631698
Energy: 1.4169608835142218
Energy: 1.4466110059625639
Energy: 1.4169608835148275
Energy: 1.4466110059625639
Energy: 1.4169608835142218
Energy: 1.3770589616259699
Energy: 1.3933092080928313
Energy: 1.3770589616253643
Energy: 1.3933092080922254
Energy: 1.3770589616265756
Energy: 1.3933092080928313
Energy: 1.378835062949941
Energy: 1.3893081593284227
Energy: 1.378835062949335
Energy: 1.3893081593278167
Energy: 1.378835062950547
Energy: 1.3893081593266055
Energy: 1.3644850617129598
Energy: 1.4413830210751717
Energy: 1.3644850617135658
Energy: 1.4413830210733543
Energy: 1.3644850617141715
Energy: 1.441383021074566
Energy: 1.4248976233408919
Energy: 1.3576608228195328
Energy: 1.4248976233408919
Energy: 1.3576608228195328
Energy: 1.4248976233408919
Energy: 1.3576608228189269
Energy: 1.3798589449721563
Energy: 1.4503816726771075
Energy: 1.3798589449721563
Energy: 1.4503816726771075
Energy: 1.3798589449721563
Energy: 1.4503816726771075
Energy: 1.361473235678691
Energy: 1.3151913587439086
Energy: 1.3614732356780852
Energy: 1.3151913587439086
Energy: 1.3614732356780852
Energy: 1.3151913587439086
Energy: 1.3889843887699407
Energy: 1.4475068754805573
Energy: 1.3889843887705462
Energy: 1.447506875481163
Energy: 1.3889843887699407
Energy: 1.447506875481163

minimum gb energy = 1.3151913587439086 eV
minimum distance =  2.20726037013364 Angstroms
sigma value = 57


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

Energy: 1.3435156250747124
Energy: 1.3250663748849645
Energy: 1.3435156250747124
Energy: 1.3250663748849645
Energy: 1.3435156250747124
Energy: 1.3250663748849645
Energy: 1.4267838352455668
Energy: 1.4568644894162892
Energy: 1.4267838352466449
Energy: 1.4568644894162892
Energy: 1.4267838352466449
Energy: 1.4568644894162892
Energy: 1.430786838051742
Energy: 1.3851262924043672
Energy: 1.4307868380528201
Energy: 1.3851262924032892
Energy: 1.430786838051742
Energy: 1.3851262924043672
Energy: 1.3609782230485352
Energy: 1.396101279560985
Energy: 1.3609782230485352
Energy: 1.39189801726348
Energy: 1.3609782230485352
Energy: 1.39189801726348
Energy: 1.4306481951745051
Energy: 1.3851397574106785
Energy: 1.4306481951745051
Energy: 1.3851397574106785
Energy: 1.4306481951755834
Energy: 1.3851397574106785
Energy: 1.4269001091444984
Energy: 1.3388440131665342
Energy: 1.4269001091444984
Energy: 1.3388440131665342
Energy: 1.4269001091434206
Energy: 1.3388440131654562
Energy: 1.3435156250757903
Energy: 1.3250663748881988
Energy: 1.3435156250757903
Energy: 1.3250663748881988
Energy: 1.3435156250757903
Energy: 1.3250663748881988
Energy: 1.4267838352444888
Energy: 1.456864489417367
Energy: 1.4267838352444888
Energy: 1.456864489417367
Energy: 1.4267838352444888
Energy: 1.456864489417367
Energy: 1.430786838051742
Energy: 1.3851262924022112
Energy: 1.430786838051742
Energy: 1.3851262924022112
Energy: 1.430786838051742
Energy: 1.3851262924022112
Energy: 1.3609782230485352
Energy: 1.4641640049764284
Energy: 1.3609782230485352
Energy: 1.391898017261324
Energy: 1.3609782230485352
Energy: 1.391898017261324
Energy: 1.4306481951734273
Energy: 1.3851397574096005
Energy: 1.4306481951745051
Energy: 1.3851397574096005
Energy: 1.4306481951745051
Energy: 1.3851397574096005
Energy: 1.4269001091444984
Energy: 1.3388440131686903
Energy: 1.4269001091444984
Energy: 1.3388440131686903
Energy: 1.4269001091444984
Energy: 1.3388440131686903
Energy: 1.3435156250747124
Energy: 1.3250663748849645
Energy: 1.3435156250747124
Energy: 1.3250663748849645
Energy: 1.3435156250747124
Energy: 1.3250663748849645
Energy: 1.4267838352466449
Energy: 1.4568644894162892
Energy: 1.4267838352455668
Energy: 1.4568644894162892
Energy: 1.4267838352455668
Energy: 1.4568644894162892
Energy: 1.430786838051742
Energy: 1.3851262924043672
Energy: 1.4307868380528201
Energy: 1.3851262924032892
Energy: 1.430786838051742
Energy: 1.3851262924032892
Energy: 1.3609782230485352
Energy: 1.4641640049753506
Energy: 1.3609782230485352
Energy: 1.3961012795599068
Energy: 1.3609782230485352
Energy: 1.3961012795599068
Energy: 1.4306481951734273
Energy: 1.3851397574106785
Energy: 1.4306481951734273
Energy: 1.3851397574106785
Energy: 1.4306481951755834
Energy: 1.3851397574106785

minimum gb energy = 1.3250663748849645 eV
minimum distance =  2.26634241270706 Angstroms
sigma value = 9


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

Energy: 1.4405035163860602
Energy: 1.5355051945185387
Energy: 1.4405035163860602
Energy: 1.5355051945176588
Energy: 1.44050351638518
Energy: 1.5355051945185387
Energy: 1.470991968226762
Energy: 1.4491361873216668
Energy: 1.470991968226762
Energy: 1.4491361873216668
Energy: 1.470991968226762
Energy: 1.4491361873216668
Energy: 1.4807196555612394
Energy: 1.4303414026020298
Energy: 1.4807196555603592
Energy: 1.4303414026029098
Energy: 1.4807196555594793
Energy: 1.4303414026029098
Energy: 1.4110566875022799
Energy: 1.5595383908320908
Energy: 1.4110566875013997
Energy: 1.5595383908312108
Energy: 1.4110566875013997
Energy: 1.5595383908320908
Energy: 1.435232423972372
Energy: 1.445455915227706
Energy: 1.4352324239732521
Energy: 1.4454559152268258
Energy: 1.4352324239714915
Energy: 1.4454559152268258
Energy: 1.44604868336029
Energy: 1.4175734715286896
Energy: 1.44604868336117
Energy: 1.4175734715286896
Energy: 1.44604868336117
Energy: 1.4175734715286896
Energy: 1.4141884638541928
Energy: 1.487384940021995
Energy: 1.4141884638541928
Energy: 1.487384940021995
Energy: 1.4141884638541928
Energy: 1.487384940021995
Energy: 1.4406128839509438
Energy: 1.4662966972508977
Energy: 1.4406128839509438
Energy: 1.4662966972517781
Energy: 1.4406128839509438
Energy: 1.4662966972517781
Energy: 1.6139339133882062
Energy: 1.453892468974474
Energy: 1.6139339133908468
Energy: 1.453892468974474
Energy: 1.6139339133908468
Energy: 1.453892468974474
Energy: 1.4106589383920103
Energy: 1.457577840757808
Energy: 1.4106589383928907
Energy: 1.457577840757808
Energy: 1.4106589383928907
Energy: 1.457577840757808
Energy: 1.442857108218088
Energy: 1.4623695176755862
Energy: 1.4428571082189683
Energy: 1.4623695176764664
Energy: 1.4428571082189683
Energy: 1.4623695176755862
Energy: 1.5308802723216783
Energy: 1.4314153529228397
Energy: 1.5308802723207982
Energy: 1.4314153529228397
Energy: 1.5308802723207982
Energy: 1.4314153529228397
Energy: 1.4142635243146318
Energy: 1.4814003016073207
Energy: 1.4142635243137516
Energy: 1.4814003016082011
Energy: 1.4142635243146318
Energy: 1.4814003016073207
Energy: 1.4561436943779298
Energy: 1.5096537084421366
Energy: 1.4561436943779298
Energy: 1.5096537084412565
Energy: 1.4561436943779298
Energy: 1.5096537084412565
Energy: 1.4773275614118413
Energy: 1.428520274262472
Energy: 1.4773275614118413
Energy: 1.4285202742633525
Energy: 1.4773275614118413
Energy: 1.4285202742633525
Energy: 1.4415049881109132
Energy: 1.466107481833492
Energy: 1.4415049881091528
Energy: 1.466107481833492
Energy: 1.4415049881082727
Energy: 1.4661074818326119
Energy: 1.4647615451448217
Energy: 1.460186458198318
Energy: 1.4647615451448217
Energy: 1.460186458198318
Energy: 1.4647615451448217
Energy: 1.460186458198318
Energy: 1.614040611224022
Energy: 1.4306378711196686
Energy: 1.614040611219621
Energy: 1.4306378711187884
Energy: 1.6140406112213812
Energy: 1.4306378711196686
Energy: 1.418369085271732
Energy: 1.4629914112342142
Energy: 1.4183690852726123
Energy: 1.4629914112342142
Energy: 1.418369085271732
Energy: 1.462991411232454
Energy: 1.4197874773919312
Energy: 1.474505147262644
Energy: 1.4197874773928114
Energy: 1.474505147262644
Energy: 1.4197874773919312
Energy: 1.474505147262644
Energy: 1.5332082794211328
Energy: 1.427106880447339
Energy: 1.5332082794211328
Energy: 1.427106880447339
Energy: 1.5332082794211328
Energy: 1.4271068804482194

minimum gb energy = 1.4106589383920103 eV
minimum distance =  2.24394555269481 Angstroms
sigma value = 27


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

Energy: 1.3932008806809646
Energy: 1.4652125259853268
Energy: 1.3307360400777353
Energy: 1.4652125259845847
Energy: 1.3932008806809646
Energy: 1.4652125259882947
Energy: 1.4234543273796445
Energy: 1.386904415386895
Energy: 1.4234543273781608
Energy: 1.386904415386895
Energy: 1.4234543273796445
Energy: 1.386904415386153
Energy: 1.4900008334021986
Energy: 1.3548785878844545
Energy: 1.4900008334021986
Energy: 1.3548785878844545
Energy: 1.4900008334021986
Energy: 1.3548785878874223
Energy: 1.33010025728408
Energy: 1.5279325376110346
Energy: 1.3301002572855642
Energy: 1.5279325376110346
Energy: 1.3301002572848222
Energy: 1.5279325376065829
Energy: 1.3875019227445733
Energy: 1.3647547003700011
Energy: 1.3875019227453154
Energy: 1.364754700372969
Energy: 1.3875019227445733
Energy: 1.364754700372969
Energy: 1.4702516410510864
Energy: 1.3301525493957977
Energy: 1.4702516410510864
Energy: 1.3301525493957977
Energy: 1.4702516410510864
Energy: 1.33015254939283
Energy: 1.3304777542573154
Energy: 1.4820340345932246
Energy: 1.3304777542565738
Energy: 1.4820340345939667
Energy: 1.3304777542573154
Energy: 1.4820340345924827
Energy: 1.5156579931111487
Energy: 1.4462229103252502
Energy: 1.5156579931081808
Energy: 1.4462229103252502
Energy: 1.5156579931118905
Energy: 1.4462229103259923
Energy: 1.4165148049039225
Energy: 1.3301577544780783
Energy: 1.4165148049009546
Energy: 1.3301577544780783
Energy: 1.4165148049039225
Energy: 1.330157754480304
Energy: 1.3301523842140737
Energy: 1.4183699896188064
Energy: 1.3301523842148157
Energy: 1.4183699896173223
Energy: 1.3301523842148157
Energy: 1.4183699896180644
Energy: 1.3301090621204867
Energy: 1.4634356636347343
Energy: 1.3301090621182607
Energy: 1.4634356636347343
Energy: 1.3301090621204867
Energy: 1.4634356636339927
Energy: 1.4785223681666495
Energy: 1.3650050084310565
Energy: 1.4785223681644235
Energy: 1.3650050084310565
Energy: 1.4785223681659074
Energy: 1.3650050084303145
Energy: 1.4463149295495419
Energy: 1.5163391947311606
Energy: 1.4463149295473159
Energy: 1.5163391947311606
Energy: 1.4463149295495419
Energy: 1.5163391947311606
Energy: 1.330609087927213
Energy: 1.4177487210581654
Energy: 1.330609087925729
Energy: 1.4177487210589075
Energy: 1.330609087927213
Energy: 1.4177487210603914
Energy: 1.470590987535729
Energy: 1.3301756174008816
Energy: 1.470590987535729
Energy: 1.3301756174008816
Energy: 1.470590987535729
Energy: 1.3301756173993977
Energy: 1.3877732901020279
Energy: 1.366881793374816
Energy: 1.3877732901042539
Energy: 1.366881793374816
Energy: 1.3877732901020279
Energy: 1.3668817933711062
Energy: 1.363142034183015
Energy: 1.478304839687744
Energy: 1.3631420341822729
Energy: 1.478304839687002
Energy: 1.363142034183015
Energy: 1.47830483968626
Energy: 1.481319079104115
Energy: 1.3560787089150277
Energy: 1.481319079104115
Energy: 1.3560787089150277
Energy: 1.4813190791018893
Energy: 1.3560787089157695
Energy: 1.4066695187026554
Energy: 1.3802634755165988
Energy: 1.3524176131003558
Energy: 1.3802634755158567
Energy: 1.4066695187026554
Energy: 1.3802634755165988
Energy: 1.3932008806802227
Energy: 1.4652125259838429
Energy: 1.3307360400769932
Energy: 1.4652125259838429
Energy: 1.3932008806809646
Energy: 1.4652125259853268
Energy: 1.4234543273796445
Energy: 1.3869044153876369
Energy: 1.4234543273774187
Energy: 1.3869044153876369
Energy: 1.4234543273789027
Energy: 1.386904415386153
Energy: 1.4900008334029406
Energy: 1.3548785878837124
Energy: 1.4900008334036825
Energy: 1.3548785878837124
Energy: 1.4900008334036825
Energy: 1.3548785878859384
Energy: 1.3301002572825962
Energy: 1.5279325376095507
Energy: 1.3301002572833382
Energy: 1.5279325376095507
Energy: 1.3301002572825962
Energy: 1.5279325376065829
Energy: 1.3875019227453154
Energy: 1.3647547003744533
Energy: 1.3875019227467993
Energy: 1.364754700372969
Energy: 1.3875019227453154
Energy: 1.3647547003737113
Energy: 1.4702516410533124
Energy: 1.3301525493935717
Energy: 1.4702516410533124
Energy: 1.3301525493935717
Energy: 1.4702516410533124
Energy: 1.3301525493913458

minimum gb energy = 1.3301002572825962 eV
minimum distance =  2.29069330085598 Angstroms
sigma value = 19


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

Energy: 1.326304428277683
Energy: 1.5383858250005307
Energy: 1.3263044282783234
Energy: 1.5383858250005307
Energy: 1.3263044282783234
Energy: 1.5383858250005307
Energy: 1.44528324465414
Energy: 1.3292944107703004
Energy: 1.4452832446534993
Energy: 1.3292944107703004
Energy: 1.4452832446534993
Energy: 1.3292944107703004
Energy: 1.4905977384147722
Energy: 1.2674423448841408
Energy: 1.4905977384154125
Energy: 1.2674423448841408
Energy: 1.4905977384134912
Energy: 1.2674423448841408
Energy: 1.287575778824932
Energy: 1.462855961230449
Energy: 1.287575778824932
Energy: 1.462855961230449
Energy: 1.2875757788242919
Energy: 1.462855961230449
Energy: 1.3703106481000846
Energy: 1.4325273664393754
Energy: 1.3703106481007252
Energy: 1.4325273664393754
Energy: 1.3703106481000846
Energy: 1.4325273664393754
Energy: 1.4281544826797146
Energy: 1.29025440308556
Energy: 1.428154482680355
Energy: 1.29025440308556
Energy: 1.4281544826790742
Energy: 1.2902544030849195
Energy: 1.2647716216778204
Energy: 1.4256110430900772
Energy: 1.2647716216784608
Energy: 1.4256110430900772
Energy: 1.2647716216784608
Energy: 1.4256110430894369
Energy: 1.3348753032287801
Energy: 1.4315418340663577
Energy: 1.3348753032287801
Energy: 1.4315418340676387
Energy: 1.3348753032287801
Energy: 1.4315418340657171
Energy: 1.538464848517074
Energy: 1.2667441293719666
Energy: 1.5384648485177144
Energy: 1.2667441293719666
Energy: 1.538464848517074
Energy: 1.2667441293719666
Energy: 1.4006210674811446
Energy: 1.3978462342922848
Energy: 1.4006210674811446
Energy: 1.3978462342922848
Energy: 1.4006210674805042
Energy: 1.3978462342922848
Energy: 1.2747866874391633
Energy: 1.5832445779662103
Energy: 1.2747866874391633
Energy: 1.5832445779668507
Energy: 1.2747866874391633
Energy: 1.5832445779681317
Energy: 1.5003576308913662
Energy: 1.2908043023533207
Energy: 1.500357630890726
Energy: 1.2908043023533207
Energy: 1.5003576308913662
Energy: 1.2908043023533207
Energy: 1.3507030796434383
Energy: 1.315728264371891
Energy: 1.3507030796440784
Energy: 1.315728264373172
Energy: 1.3507030796440784
Energy: 1.315728264371891
Energy: 1.2881566355709462
Energy: 1.4435318577451146
Energy: 1.2881566355709462
Energy: 1.4435318577451146
Energy: 1.2881566355703058
Energy: 1.4435318577451146
Energy: 1.4634194606094286
Energy: 1.2676810700571224
Energy: 1.4634194606094286
Energy: 1.2676810700571224
Energy: 1.4634194606094286
Energy: 1.2676810700571224
Energy: 1.4337461333214574
Energy: 1.2669228776091348
Energy: 1.4337461333214574
Energy: 1.2669228776091348
Energy: 1.4337461333201766
Energy: 1.2669228776091348
Energy: 1.3025078442802775
Energy: 1.4711560529242411
Energy: 1.3025078442802775
Energy: 1.4711560529242411
Energy: 1.3025078442802775
Energy: 1.4711560529242411
Energy: 1.4144146156060922
Energy: 1.40112287557732
Energy: 1.4144146156054516
Energy: 1.4011228755766796
Energy: 1.4144146156054516
Energy: 1.40112287557732
Energy: 1.474643237066313
Energy: 1.2882789243978532
Energy: 1.474643237066313
Energy: 1.2882789243978532
Energy: 1.474643237066313
Energy: 1.2882789243978532
Energy: 1.2887478040545797
Energy: 1.4611227036285044
Energy: 1.2887478040545797
Energy: 1.4611227036285044
Energy: 1.2887478040552198
Energy: 1.4611227036285044
Energy: 1.2720046748502671
Energy: 1.5015940127984257
Energy: 1.2720046748502671
Energy: 1.5015940128009873
Energy: 1.2720046748509073
Energy: 1.5015940127997067
Energy: 1.5467425724236596
Energy: 1.2902820365331333
Energy: 1.546742572423019
Energy: 1.2902820365331333
Energy: 1.5467425724243
Energy: 1.2902820365331333
Energy: 1.3770854505520396
Energy: 1.3315019750021242
Energy: 1.377085450551399
Energy: 1.3315019750021242
Energy: 1.377085450551399
Energy: 1.3315019750021242
Energy: 1.3204799378762284
Energy: 1.4864973009247415
Energy: 1.3204799378781498
Energy: 1.4864973009247415
Energy: 1.320479937876869
Energy: 1.4864973009247415
Energy: 1.4194378260449099
Energy: 1.2936359014246557
Energy: 1.4194378260436291
Energy: 1.293635901425296
Energy: 1.4194378260442693
Energy: 1.293635901425296
Energy: 1.3334793469216595
Energy: 1.300797668932069
Energy: 1.333479346921019
Energy: 1.300797668932069
Energy: 1.333479346921019
Energy: 1.300797668932069
Energy: 1.2728299913199677
Energy: 1.4550068996573873
Energy: 1.2728299913199677
Energy: 1.4550068996573873
Energy: 1.272829991319327
Energy: 1.4550068996580277
Energy: 1.4605060768898392
Energy: 1.2883060372305604
Energy: 1.4605060768898392
Energy: 1.2883060372305604
Energy: 1.4605060768898392
Energy: 1.28830603722992
Energy: 1.4308464540552008
Energy: 1.288201406418224
Energy: 1.4308464540552008
Energy: 1.2882014064175835
Energy: 1.4308464540552008
Energy: 1.288201406418224

minimum gb energy = 1.2647716216778204 eV
minimum distance =  2.25134924903793 Angstroms
sigma value = 101


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

Energy: 1.2457519901783223
Energy: 1.4538107541067193
Energy: 1.2457519901783223
Energy: 1.4538107541067193
Energy: 1.2457519901788852
Energy: 1.4538107541061565
Energy: 1.3816927266679864
Energy: 1.2551484221303555
Energy: 1.3816927266679864
Energy: 1.2551484221303555
Energy: 1.3816927266679864
Energy: 1.2551484221303555
Energy: 1.4403507233656017
Energy: 1.22767141746482
Energy: 1.4403507233661645
Energy: 1.22767141746482
Energy: 1.4403507233656017
Energy: 1.22767141746482
Energy: 1.1981956690158304
Energy: 1.4627021287301747
Energy: 1.1981956690180824
Energy: 1.4499633876501112
Energy: 1.1981956690175195
Energy: 1.4499633876506743
Energy: 1.3115402401480107
Energy: 1.2601745079082254
Energy: 1.3115402401485736
Energy: 1.2601745079093514
Energy: 1.3115402401474476
Energy: 1.2601745079104774
Energy: 1.4314138423081535
Energy: 1.2092439150331789
Energy: 1.4314138423081535
Energy: 1.209243915032616
Energy: 1.4314138423087164
Energy: 1.2092439150331789
Energy: 1.2558864054579697
Energy: 1.379484433315898
Energy: 1.2558864054574068
Energy: 1.3794844333175869
Energy: 1.2558864054574068
Energy: 1.379484433314772
Energy: 1.1977499978612893
Energy: 1.47037161934287
Energy: 1.1977499978629782
Energy: 1.4306803335990048
Energy: 1.1977499978612893
Energy: 1.4306803335990048
Energy: 1.4304671812413472
Energy: 1.2112158841890979
Energy: 1.43046718124191
Energy: 1.2112158841890979
Energy: 1.430467181240784
Energy: 1.2112158841890979
Energy: 1.311314663378814
Energy: 1.3422602192004889
Energy: 1.311314663378251
Energy: 1.3422602191999256
Energy: 1.311314663377688
Energy: 1.3422602192010518
Energy: 1.197212792744036
Energy: 1.582574918536989
Energy: 1.197212792744599
Energy: 1.582574918535863
Energy: 1.197212792744036
Energy: 1.582574918535863
Energy: 1.3055418984076141
Energy: 1.2571535494730892
Energy: 1.3055418984093032
Energy: 1.2571535494730892
Energy: 1.3055418984098663
Energy: 1.2571535494730892
Energy: 1.4059467721107113
Energy: 1.2277717826734666
Energy: 1.4059467721112744
Energy: 1.2277717826740298
Energy: 1.4059467721112744
Energy: 1.2277717826734666
Energy: 1.2457188894193052
Energy: 1.4571345048745694
Energy: 1.2457188894176163
Energy: 1.4571345048801994
Energy: 1.2457188894193052
Energy: 1.6617654277312723
Energy: 1.2459718804646498
Energy: 1.3190012835752476
Energy: 1.245971880462961
Energy: 1.3190012835752476
Energy: 1.2459718804646498
Energy: 1.3190012835752476
Energy: 1.4394270432343512
Energy: 1.2306741784612103
Energy: 1.4394270432349139
Energy: 1.2306741784612103
Energy: 1.4394270432349139
Energy: 1.2306741784612103
Energy: 1.1920721036535582
Energy: 1.3979698110171572
Energy: 1.1920721036513064
Energy: 1.397969811021098
Energy: 1.192072103654121
Energy: 1.3979698110160312
Energy: 1.1919490115787337
Energy: 1.393865918009555
Energy: 1.1919490115798597
Energy: 1.393865918009555
Energy: 1.1919490115787337
Energy: 1.393865918009555
Energy: 1.4317834904541482
Energy: 1.2094513261277144
Energy: 1.431783490453022
Energy: 1.2094513261271511
Energy: 1.431783490453585
Energy: 1.2094513261277144
Energy: 1.2549613844880192
Energy: 1.3303716336885891
Energy: 1.254961384488582
Energy: 1.330371633689152
Energy: 1.254961384488582
Energy: 1.3303716336885891
Energy: 1.2163976092708109
Energy: 1.5925717630201837
Energy: 1.2163976092708109
Energy: 1.5925717630190577
Energy: 1.2163976092691218
Energy: 1.5925717630196208
Energy: 1.4161540262385623
Energy: 1.2090376818135589
Energy: 1.4161540262385623
Energy: 1.2090376818135589
Energy: 1.4161540262379995
Energy: 1.2090376818135589
Energy: 1.4066808082025357
Energy: 1.2090650334735327
Energy: 1.406680808204225
Energy: 1.2090650334735327
Energy: 1.4066808082036617
Energy: 1.2090650334740956
Energy: 1.198325211966218
Energy: 1.466740993310919
Energy: 1.1983252119673442
Energy: 1.466740993310919
Energy: 1.198325211966218
Energy: 1.4667409933103561
Energy: 1.3494659134224347
Energy: 1.2624550225405862
Energy: 1.3494659134235607
Energy: 1.2624550225394604
Energy: 1.3494659134213087
Energy: 1.2624550225394604
Energy: 1.405540904298276
Energy: 1.2307202856074244
Energy: 1.405540904298276
Energy: 1.2307202856074244
Energy: 1.405540904298276
Energy: 1.2307202856068613
Energy: 1.245724118720192
Energy: 1.4878865041641056
Energy: 1.245724118720192
Energy: 1.4878865041641056
Energy: 1.245724118720755
Energy: 1.4878865041641056
Energy: 1.2456808093410512
Energy: 1.3685512894829186
Energy: 1.245680809342177
Energy: 1.3685512894829186
Energy: 1.2456808093404883
Energy: 1.3685512894829186
Energy: 1.466753503676883
Energy: 1.2277035212117429
Energy: 1.4667535036785722
Energy: 1.2277035212123057
Energy: 1.466753503677446
Energy: 1.2277035212117429
Energy: 1.1920445381107472
Energy: 1.3678622949863684
Energy: 1.1920445381096212
Energy: 1.3678622949858055
Energy: 1.192044538110184
Energy: 1.3678622949858055
Energy: 1.1915729487285116
Energy: 1.4237449999844043
Energy: 1.1915729487285116
Energy: 1.4237449999844043
Energy: 1.1915729487285116
Energy: 1.4237449999844043
Energy: 1.4681521795349106
Energy: 1.2090079269072298
Energy: 1.4681521795349106
Energy: 1.2090079269072298
Energy: 1.4681521795354737
Energy: 1.2090079269072298
Energy: 1.417392714421089
Energy: 1.2090511497603555
Energy: 1.417392714420526
Energy: 1.2090511497597924
Energy: 1.417392714421652
Energy: 1.2090511497597924

minimum gb energy = 1.1915729487285116 eV
minimum distance =  2.27195763536796 Angstroms
sigma value = 33


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

Energy: 0.020433099583924526
Energy: 1.1770015683383688
Energy: 0.020433099583924526
Energy: 1.1770015683370174
Energy: 0.020433099583924526
Energy: 1.177001568337433
Energy: 0.02159040846263433
Energy: 0.4278913467584194
Energy: 0.02159040846263433
Energy: 0.4278913467584194
Energy: 0.021590408463102097
Energy: 0.4278913467584194
Energy: 1.17718863370546
Energy: 0.4285511138528888
Energy: 1.1771886290875688
Energy: 0.4285511138528888
Energy: 1.1771886318502787
Energy: 0.4285511138515375
Energy: 0.02159040846263433
Energy: 0.4278913467593548
Energy: 0.02159040846221853
Energy: 0.4278913467593548
Energy: 0.02159040846221853
Energy: 0.4278913467593548

minimum gb energy = 0.020433099583924526 eV
minimum distance =  2.47852757089639 Angstroms
sigma value = 1