Model name: model_name=MEAM_LAMMPS_LeeWirthShim_2005_FeCu__MO_063626065437_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.613315634429455
cohesive_energy=3.5402784094648996
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.013700277227948315
Energy: 0.7280892122643401
Energy: 0.013700277227948315
Energy: 0.7280892122643401
Energy: 0.013700277227948315
Energy: 0.7280892122643401
Energy: 0.7280892122643401
Energy: 0.3091890837151686
Energy: 0.7280892122643401
Energy: 0.9756027564169326
Energy: 0.7280892122643401
Energy: 0.8633325893546419
Energy: 0.013700277227948315
Energy: 0.7280892122643401
Energy: 0.013700277227948315
Energy: 0.7280892122640261
Energy: 0.013700277227948315
Energy: 0.7280892122643401
Energy: 0.7280892122643401
Energy: 0.9756027564178394
Energy: 0.7280892122643401
Energy: 0.9827695902126895
Energy: 0.7280892122643401
Energy: 0.863332589354328
Energy: 0.013700277227948315
Energy: 0.7280892122643401
Energy: 0.013700277227948315
Energy: 0.728089212264654
Energy: 0.013700277227948315
Energy: 0.7280892122643401
Energy: 0.7280892122643401
Energy: 0.863332589354328
Energy: 0.7280892122643401
Energy: 0.863332589354328
Energy: 0.7280892122643401
Energy: 0.863332589354328

minimum gb energy = 0.013700277227948315 eV
minimum distance =  2.38924027447272 Angstroms
sigma value = 1


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

Energy: 0.9687632569727961
Energy: 1.1638896707519213
Energy: 0.9687632569727961
Energy: 1.1638896707526767
Energy: 0.9687632569727961
Energy: 1.1638896707519213
Energy: 1.1801279084629956
Energy: 0.9081776467230636
Energy: 1.1801279084629956
Energy: 0.9081776467230636
Energy: 1.18012790846224
Energy: 0.9081776467230636
Energy: 0.9463444044321402
Energy: 1.2860977173486041
Energy: 0.9463444044321402
Energy: 1.2860977173486041
Energy: 0.9463444044321402
Energy: 1.2860977173486041
Energy: 1.2047449001306099
Energy: 0.9707954901610716
Energy: 1.2047449001306099
Energy: 0.9707954901610716
Energy: 1.2047449001306099
Energy: 0.9707954901610716
Energy: 1.0081494243743385
Energy: 1.0821207295756958
Energy: 1.008149424373583
Energy: 1.0821207295756958
Energy: 1.0081494243743385
Energy: 1.0821207295756958
Energy: 1.024504512542541
Energy: 0.9961364003672826
Energy: 1.024504512542541
Energy: 0.996136400366527
Energy: 1.024504512542541
Energy: 0.996136400366527
Energy: 0.9648656539780681
Energy: 1.1236202900251016
Energy: 0.9648656539758014
Energy: 1.1236202900258572
Energy: 0.9648656539758014
Energy: 1.1236202900251016
Energy: 0.9849752827695382
Energy: 1.2006255651052027
Energy: 0.9849752827695382
Energy: 1.2006255651059583
Energy: 0.9849752827695382
Energy: 1.2006255651052027
Energy: 1.0905387537757225
Energy: 0.9573714014730195
Energy: 1.090538753774967
Energy: 0.9573714014730195
Energy: 1.090538753774967
Energy: 0.9573714014730195
Energy: 0.9215027030286207
Energy: 1.197047639385494
Energy: 0.9215027030286207
Energy: 1.197047639385494
Energy: 0.9215027030278652
Energy: 1.197047639385494
Energy: 1.0731899192218004
Energy: 0.8978717716478565
Energy: 1.073189919221045
Energy: 0.8978717716478565
Energy: 1.0731899192218004
Energy: 0.897871771647101
Energy: 0.8616977066479699
Energy: 1.2925856732374394
Energy: 0.8616977066479699
Energy: 1.2925856732381953
Energy: 0.8616977066479699
Energy: 1.2925856732374394
Energy: 1.199392786526598
Energy: 0.889716469256835
Energy: 1.199392786526598
Energy: 0.889716469256835
Energy: 1.199392786526598
Energy: 0.889716469256835
Energy: 0.9339885840051371
Energy: 1.0896058611611494
Energy: 0.9339885840043815
Energy: 1.0896058611603938
Energy: 0.9339885840051371
Energy: 1.0896058611611494
Energy: 1.221974039382595
Energy: 0.9315583827127359
Energy: 1.221974039382595
Energy: 0.9315583827119804
Energy: 1.221974039382595
Energy: 0.9315583827119804
Energy: 1.1612919682583658
Energy: 1.1562305890139497
Energy: 1.1612919682583658
Energy: 1.1562305890139497
Energy: 1.1612919682583658
Energy: 1.1562305890139497
Energy: 1.0615159415270574
Energy: 1.00921008862667
Energy: 1.0615159415270574
Energy: 1.00921008862667
Energy: 1.0615159415270574
Energy: 1.00921008862667
Energy: 1.096568144798154
Energy: 1.01107645962332
Energy: 1.096568144798154
Energy: 1.0110764596240758
Energy: 1.096568144797398
Energy: 1.0110764596240758
Energy: 0.9934738581794497
Energy: 1.0642772292489155
Energy: 0.9934738581802053
Energy: 1.0642772292481597
Energy: 0.9934738581802053
Energy: 1.0642772292481597
Energy: 1.0744364077211634
Energy: 0.9403367430269556
Energy: 1.0744364077211634
Energy: 0.9403367430269556
Energy: 1.0744364077204078
Energy: 0.9403367430269556
Energy: 0.9113203649883627
Energy: 1.2891839974433026
Energy: 0.9113203649883627
Energy: 1.2891839974433026
Energy: 0.9113203649883627
Energy: 1.2891839974433026
Energy: 1.1205471202593522
Energy: 0.9529324928141321
Energy: 1.1205471202593522
Energy: 0.9529324928141321
Energy: 1.1205471202593522
Energy: 0.9529324928141321
Energy: 0.87805583756215
Energy: 1.1775883976336208
Energy: 0.87805583756215
Energy: 1.1775883976343764
Energy: 0.87805583756215
Energy: 1.1775883976343764

minimum gb energy = 0.8616977066479699 eV
minimum distance =  2.36254128611556 Angstroms
sigma value = 33


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

Energy: 1.0255432848367358
Energy: 1.194337329122017
Energy: 0.9590133086762047
Energy: 1.1943373291233064
Energy: 1.0255432848367358
Energy: 1.1943373291224468
Energy: 1.2599558524482493
Energy: 0.9741920041335081
Energy: 1.2599558524486791
Energy: 0.9741920041326488
Energy: 1.2599558524473897
Energy: 0.9741920041326488
Energy: 0.903433906162206
Energy: 0.97788453704365
Energy: 0.9034339061617762
Energy: 0.9778845370427904
Energy: 0.9034339061626356
Energy: 0.9778845370427904
Energy: 1.155331875829596
Energy: 1.0354821938543246
Energy: 1.1553318758304558
Energy: 1.0354821938556138
Energy: 1.155331875831745
Energy: 1.035482193855184
Energy: 1.0827436047013215
Energy: 1.1394966477113304
Energy: 1.0827436047026109
Energy: 1.139496647710041
Energy: 1.0827436047000323
Energy: 1.1394966477104709
Energy: 1.1135983449618438
Energy: 0.9025630408108056
Energy: 1.1135983449627034
Energy: 0.9024697044545296
Energy: 1.113598344963563
Energy: 0.9025630408112354
Energy: 1.1213822327203575
Energy: 1.0333255321689934
Energy: 1.121382232720787
Energy: 1.0006366350769837
Energy: 1.1213822327199277
Energy: 1.033325532168134
Energy: 0.9127904863725002
Energy: 1.1659955849968855
Energy: 0.9127904863729298
Energy: 1.165995584998175
Energy: 0.9127904863712107
Energy: 1.1659955849968855
Energy: 1.0267713434997192
Energy: 0.9041671539852791
Energy: 1.0267713434980001
Energy: 0.9041671539848494
Energy: 1.0267713435005787
Energy: 0.9041671539861388
Energy: 0.8861249327892102
Energy: 1.227796737704695
Energy: 0.8863235910983815
Energy: 1.2277967377038355
Energy: 0.8861249327900698
Energy: 1.2277967377042651
Energy: 1.1739355586036422
Energy: 0.8960657246790433
Energy: 1.1739355586027829
Energy: 0.8960657246786136
Energy: 1.1739355586027829
Energy: 0.8960657246764646
Energy: 0.9036987309079083
Energy: 1.0933054817502117
Energy: 0.9036994865228117
Energy: 1.0933054817493522
Energy: 0.9036987309074784
Energy: 1.093305481748063
Energy: 1.1937501214388586
Energy: 0.9266991392643068
Energy: 1.1937501214392883
Energy: 0.9266991392643068
Energy: 1.193750121438429
Energy: 0.9266991392647366
Energy: 0.95904990016675
Energy: 1.0805649022151471
Energy: 0.9590499001676095
Energy: 1.0805649022168666
Energy: 0.9590499001680394
Energy: 1.080564902217296
Energy: 0.969978393987419
Energy: 1.045842764971703
Energy: 0.9699783939882787
Energy: 1.0458427649712736
Energy: 0.9699783939869894
Energy: 1.0458427649704136
Energy: 0.9029488542013396
Energy: 0.9776388918530267
Energy: 0.9029488542009099
Energy: 0.9776388918538862
Energy: 0.9029488542013396
Energy: 0.9776388918521669
Energy: 1.080117808115907
Energy: 1.010556445962377
Energy: 1.080117808115907
Energy: 1.0105564459632366
Energy: 1.080117808113758
Energy: 1.0105564459636664
Energy: 1.0832408339600368
Energy: 0.9039965588819411
Energy: 1.083240833963006
Energy: 0.9060664771338323
Energy: 1.0832408339617556
Energy: 0.9039965588806909
Energy: 0.9902823828178108
Energy: 1.1084154325785651
Energy: 0.9902823828199597
Energy: 1.1285002070252446
Energy: 0.9902823828169512
Energy: 1.1084154325798543
Energy: 1.1958645667306675
Energy: 0.9622388020611408
Energy: 1.1958645667306675
Energy: 0.9954383536598952
Energy: 1.195864566731527
Energy: 0.9622388020615705
Energy: 0.8998532119598063
Energy: 1.2591355444893855
Energy: 0.8998532119615253
Energy: 1.2591355444906749
Energy: 0.8998532119628148
Energy: 1.2591355444906749
Energy: 1.1413847815010354
Energy: 0.9052221441407887
Energy: 1.1413847815031846
Energy: 0.9052221441407887
Energy: 1.1413847815018952
Energy: 0.9052221441407887
Energy: 0.8909328945340299
Energy: 1.226618095854514
Energy: 0.8901911723248155
Energy: 1.2266180958540844
Energy: 0.8909328945327405
Energy: 1.226618095854514
Energy: 1.1677141797133284
Energy: 0.986761791343389
Energy: 1.1677141797124688
Energy: 0.9867617913429593
Energy: 1.1677141797137582
Energy: 0.9867617913420997
Energy: 0.9038940973944839
Energy: 1.1105123834569894
Energy: 0.9038804681546192
Energy: 1.11051238345613
Energy: 0.9038940973940542
Energy: 1.1105123834565598
Energy: 1.1840184798472053
Energy: 1.1060557503770165
Energy: 1.1097769362860108
Energy: 1.1060557503778758
Energy: 1.1840184798476352
Energy: 1.106055750377446
Energy: 1.1653065531405733
Energy: 1.0426117877266854
Energy: 1.1100232307116968
Energy: 1.042611787726256
Energy: 1.1653065531405733
Energy: 1.0426117877253962
Energy: 0.9042551933690379
Energy: 1.0820654416126125
Energy: 0.9042551933677485
Energy: 1.0820654416130424
Energy: 0.904255193368608
Energy: 1.0820654416113231
Energy: 1.2264948975563301
Energy: 0.9146208609829033
Energy: 1.2264948975554706
Energy: 0.9146208609859119
Energy: 1.2264948975571897
Energy: 0.9146208609841927
Energy: 0.8902869285685755
Energy: 1.1753934468302303
Energy: 0.8902869285694353
Energy: 1.1753934468310896
Energy: 0.8902869285702946
Energy: 1.1753934468332385
Energy: 1.2388344894167955
Energy: 0.9195246573154151
Energy: 1.2388344894167955
Energy: 0.9043060095124409
Energy: 1.2388344894185146
Energy: 0.9195246573145556
Energy: 0.9277556520909034
Energy: 1.272197084346939
Energy: 0.9277556520891842
Energy: 1.2347243039278262
Energy: 0.9277556520891842
Energy: 1.2721970843482284
Energy: 1.1955969517945149
Energy: 0.9955358706644308
Energy: 1.1955969517949445
Energy: 0.962120684287255
Energy: 1.1955969517945149
Energy: 0.9955358706635714
Energy: 0.9660779372102574
Energy: 1.2338343539406456
Energy: 0.9660779372111169
Energy: 1.2338343539410754
Energy: 0.9660779372098277
Energy: 1.233834353941935
Energy: 0.9778213053633021
Energy: 0.902622491065008
Energy: 0.9778213053645916
Energy: 0.902622491065008
Energy: 0.9778213053654511
Energy: 0.9026224910658674
Energy: 0.9805617022061811
Energy: 1.109404398662055
Energy: 0.980561702204462
Energy: 1.1094043986611954
Energy: 0.980561702206611
Energy: 1.109404398661625
Energy: 0.9029623725145925
Energy: 1.0837431100197312
Energy: 0.9031752956999491
Energy: 1.0837431100197312
Energy: 0.9029623725133031
Energy: 1.0837431100197312
Energy: 1.0864087757478187
Energy: 0.9879571528293241
Energy: 1.086408775749108
Energy: 0.9879571528284643
Energy: 1.0864087757486784
Energy: 0.9879571528288942
Energy: 0.9593676717973396
Energy: 1.1607144256935522
Energy: 0.9593676717969096
Energy: 1.1607144256944117
Energy: 0.9593676717986288
Energy: 1.1607144256948416
Energy: 1.1662898730419613
Energy: 0.900500780434394
Energy: 1.166289873042391
Energy: 0.900500780436113
Energy: 1.1662898730415314
Energy: 0.9005007804348236
Energy: 0.9034700654312648
Energy: 1.036268237241253
Energy: 0.9034700654308352
Energy: 1.0362682372403935
Energy: 0.9034700654308352
Energy: 1.0362682372425425

minimum gb energy = 0.8861249327892102 eV
minimum distance =  2.39239005721968 Angstroms
sigma value = 51


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

Energy: 1.0624666423635418
Energy: 1.0975236055260396
Energy: 1.0624666423635418
Energy: 1.0975236055260396
Energy: 1.0624666423635418
Energy: 1.0975236055260396
Energy: 1.1307286551534657
Energy: 1.006651962190196
Energy: 1.1307286551534657
Energy: 1.006651962190196
Energy: 1.1307286551534657
Energy: 1.006651962190196
Energy: 0.9443207572368358
Energy: 1.266567800014709
Energy: 0.9443207572378316
Energy: 1.266567800014709
Energy: 0.9443207572368358
Energy: 1.266567800014709
Energy: 0.9993369373894357
Energy: 0.9423373629960937
Energy: 0.9993369373894357
Energy: 0.9423373629960937
Energy: 0.9993369373894357
Energy: 0.9423373629960937
Energy: 1.0803326438839003
Energy: 1.0459080768917333
Energy: 1.0803326438839003
Energy: 1.0459080768917333
Energy: 1.0803326438848961
Energy: 1.0459080768917333
Energy: 1.108730135325565
Energy: 1.010582498736144
Energy: 1.108730135325565
Energy: 1.010582498736144
Energy: 1.108730135325565
Energy: 1.010582498736144
Energy: 0.9482143422315371
Energy: 1.0117365289732008
Energy: 0.9482143422335286
Energy: 1.0117365289732008
Energy: 0.9482143422325328
Energy: 1.0117365289732008
Energy: 0.9723445760610198
Energy: 1.0504892316254162
Energy: 0.9723445760610198
Energy: 1.0504892316254162
Energy: 0.9723445760610198
Energy: 1.0504892316254162
Energy: 1.186644895011244
Energy: 0.9105063854545974
Energy: 1.186644895011244
Energy: 0.9105063854545974
Energy: 1.186644895011244
Energy: 0.9105063854545974
Energy: 0.9562757473558057
Energy: 1.252376402939704
Energy: 0.9562757473558057
Energy: 1.252376402939704
Energy: 0.9562757473558057
Energy: 1.252376402939704
Energy: 1.1326872238775776
Energy: 0.9256431418486514
Energy: 1.1326872238785732
Energy: 0.9256431418486514
Energy: 1.1326872238785732
Energy: 0.9256431418486514
Energy: 1.0353496562206672
Energy: 1.1100815848837466
Energy: 1.0353496562206672
Energy: 1.1100815848837466
Energy: 1.0353496562206672
Energy: 1.1100815848837466
Energy: 1.1849806237551463
Energy: 0.9883756833403605
Energy: 1.1849806237551463
Energy: 0.9883756833403605
Energy: 1.1849806237551463
Energy: 0.9883756833403605
Energy: 1.0301431744952423
Energy: 0.9934753874780176
Energy: 1.030143174496238
Energy: 0.9934753874780176
Energy: 1.030143174496238
Energy: 0.9934753874780176
Energy: 0.9608576217933557
Energy: 1.006970786994595
Energy: 0.9608576217933557
Energy: 1.006970786994595
Energy: 0.9608576217933557
Energy: 1.0069707869955906
Energy: 1.1311717914178145
Energy: 1.0103377671956917
Energy: 1.1311717914188102
Energy: 1.0103377671956917
Energy: 1.1311717914188102
Energy: 1.0103377671956917
Energy: 1.0517311821398272
Energy: 1.231717818004956
Energy: 1.0517311821398272
Energy: 1.231717818004956
Energy: 1.0517311821398272
Energy: 1.231717818004956
Energy: 1.0038254353934426
Energy: 0.9866949969574275
Energy: 1.0038254353934426
Energy: 0.9866949969574275
Energy: 1.0038254353934426
Energy: 0.9866949969574275

minimum gb energy = 0.9105063854545974 eV
minimum distance =  2.30035196871094 Angstroms
sigma value = 19


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

Energy: 0.9006407538002629
Energy: 0.9538304534438301
Energy: 0.9196252864862736
Energy: 0.9538304534438301
Energy: 0.900640753799672
Energy: 0.9538304534432394
Energy: 1.1280787280627778
Energy: 1.0357400961145946
Energy: 1.1280787280633686
Energy: 1.0357400961145946
Energy: 1.1280787280627778
Energy: 1.0357400961145946
Energy: 0.8115262576341508
Energy: 1.0516893516723003
Energy: 0.8115262576335599
Energy: 1.0516893516723003
Energy: 0.8115262576341508
Energy: 1.051689351672891
Energy: 0.9494222608467164
Energy: 0.8115078251748432
Energy: 0.9494222608467164
Energy: 0.8115078251748432
Energy: 0.9494222608473071
Energy: 0.811507825175434
Energy: 0.8934647538284275
Energy: 0.9039743088366226
Energy: 0.8934647538296089
Energy: 0.9039743088366226
Energy: 0.8934647538290181
Energy: 0.9039743088360319
Energy: 0.8639888244067396
Energy: 0.9037995623568992
Energy: 0.8639888244067396
Energy: 0.9037995623568992
Energy: 0.8639888244061489
Energy: 0.9037995623580806
Energy: 0.8879135623695121
Energy: 0.8117336941447673
Energy: 0.8879135623695121
Energy: 0.8117336941447673
Energy: 0.8879135623695121
Energy: 0.811733694143586
Energy: 0.8114489099348624
Energy: 1.1121580380485605
Energy: 0.8114480609158435
Energy: 1.1121580380491514
Energy: 0.8114489099348624
Energy: 1.1121580380503324
Energy: 1.1432841731724157
Energy: 1.0602080852857059
Energy: 1.143284173171825
Energy: 1.0602080852857059
Energy: 1.1432841731724157
Energy: 1.0602080852845246
Energy: 0.9196252864862736
Energy: 0.9538304534438301
Energy: 0.9196252864862736
Energy: 0.9538304534444207
Energy: 0.9196252864862736
Energy: 0.9538304534438301
Energy: 1.1280787280627778
Energy: 1.035740096114004
Energy: 1.1280787280627778
Energy: 1.035740096114004
Energy: 1.1280787280627778
Energy: 1.0357400961145946
Energy: 0.8115262576341508
Energy: 1.0516893516717098
Energy: 0.8115262576335599
Energy: 1.0516893516717098
Energy: 0.8115262576341508
Energy: 1.0516893516723003
Energy: 0.9494222608473071
Energy: 0.8115040747485714
Energy: 0.9494222608467164
Energy: 0.8115040747485714
Energy: 0.9494222608473071
Energy: 0.8115040747473903
Energy: 0.8934647538290181
Energy: 0.9039743088360319
Energy: 0.8934647538296089
Energy: 0.9039743088360319
Energy: 0.8934647538290181
Energy: 0.9039743088354414
Energy: 0.8639888244067396
Energy: 0.9037995623568992
Energy: 0.8639888244061489
Energy: 0.9037995623568992
Energy: 0.8639888244055582
Energy: 0.9037995623574899
Energy: 0.8879135623701029
Energy: 0.8117336941447673
Energy: 0.8879135623701029
Energy: 0.8117336941447673
Energy: 0.8879135623701029
Energy: 0.811733694143586
Energy: 0.8113774624202188
Energy: 1.1121580380497418
Energy: 0.8114757519520378
Energy: 1.1121580380491514
Energy: 0.8113774624202188
Energy: 1.1121580380497418
Energy: 1.0924410598122514
Energy: 1.0602080852851152
Energy: 1.143284173171825
Energy: 1.0602080852857059
Energy: 1.0924410598122514
Energy: 1.0602080852845246
Energy: 0.900640753799672
Energy: 0.9538304534438301
Energy: 0.9196252864862736
Energy: 0.9538304534438301
Energy: 0.900640753799672
Energy: 0.9538304534438301
Energy: 1.1280787280627778
Energy: 1.035740096114004
Energy: 1.1280787280633686
Energy: 1.035740096114004
Energy: 1.1280787280627778
Energy: 1.035740096114004
Energy: 0.8115262576335599
Energy: 1.0516893516717098
Energy: 0.8115262576335599
Energy: 1.0516893516717098
Energy: 0.8115262576341508
Energy: 1.051689351672891
Energy: 0.9494222608467164
Energy: 0.8115078251748432
Energy: 0.9494222608467164
Energy: 0.8115078251748432
Energy: 0.9494222608467164
Energy: 0.8115078251760246
Energy: 0.8934647538290181
Energy: 0.9039743088366226
Energy: 0.8934647538296089
Energy: 0.9039743088366226
Energy: 0.8934647538290181
Energy: 0.9039743088366226
Energy: 0.8639888244067396
Energy: 0.9037995623568992
Energy: 0.8639888244067396
Energy: 0.9037995623568992
Energy: 0.8639888244067396
Energy: 0.9037995623574899
Energy: 0.8879135623701029
Energy: 0.8117336941441767
Energy: 0.8879135623701029
Energy: 0.8117336941441767
Energy: 0.8879135623701029
Energy: 0.811733694143586
Energy: 0.8114489099342718
Energy: 1.1121580380491514
Energy: 0.8114480609158435
Energy: 1.1121580380497418
Energy: 0.8114489099342718
Energy: 1.1121580380497418
Energy: 1.1432841731730063
Energy: 1.0602080852857059
Energy: 1.1432841731724157
Energy: 1.0602080852857059
Energy: 1.1432841731730063
Energy: 1.0602080852851152
Energy: 0.9196252864862736
Energy: 0.9538304534438301
Energy: 0.919625286485683
Energy: 0.9538304534438301
Energy: 0.9196252864862736
Energy: 0.9538304534432394
Energy: 1.1280787280627778
Energy: 1.0357400961145946
Energy: 1.1280787280633686
Energy: 1.0357400961145946
Energy: 1.1280787280627778
Energy: 1.035740096115185
Energy: 0.8115262576335599
Energy: 1.0516893516717098
Energy: 0.8115262576329693
Energy: 1.0516893516717098
Energy: 0.8115262576335599
Energy: 1.051689351672891

minimum gb energy = 0.8113774624202188 eV
minimum distance =  2.30890885748711 Angstroms
sigma value = 27


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

Energy: 0.8343228799808933
Energy: 0.7991279736191308
Energy: 0.8343228799808933
Energy: 0.7991279736191308
Energy: 0.8343228799808933
Energy: 0.7991279736191308
Energy: 1.060311997914323
Energy: 0.8291787515879776
Energy: 1.0603119979157698
Energy: 0.8291787515879776
Energy: 1.0603119979157698
Energy: 0.8291787515894246
Energy: 0.7637896645732899
Energy: 1.0775307921828863
Energy: 0.7637896645732899
Energy: 1.0775307921828863
Energy: 0.7637896645732899
Energy: 1.0775307921828863
Energy: 1.0224745388154728
Energy: 0.7693519433720557
Energy: 1.0224745388154728
Energy: 0.7693519433720557
Energy: 1.0224745388154728
Energy: 0.7693519433720557
Energy: 1.1313570877761758
Energy: 0.7667086270139291
Energy: 1.1313570877761758
Energy: 0.7667086270139291
Energy: 1.1313570877761758
Energy: 0.7667086270139291
Energy: 0.8775050307241656
Energy: 0.9997048645895881
Energy: 0.8775050307256126
Energy: 0.9997048645895881
Energy: 0.8775050307256126
Energy: 0.9997048645895881
Energy: 0.807617140423136
Energy: 0.8307110533582716
Energy: 0.807617140423136
Energy: 0.8307110533582716
Energy: 0.9122639492453648
Energy: 0.8307110533582716
Energy: 0.8332498984193314
Energy: 0.8018454919798659
Energy: 0.8332498984193314
Energy: 0.8018454919798659
Energy: 0.8332498984193314
Energy: 0.8018454919798659
Energy: 0.8625498938009543
Energy: 0.8498465795932726
Energy: 0.86254989362595
Energy: 0.849846579617869
Energy: 0.8625498935652149
Energy: 0.8498465795036003
Energy: 0.9254880202752053
Energy: 0.8915531471731006
Energy: 0.9254880202752053
Energy: 0.8915531471731006
Energy: 0.9254880202752053
Energy: 0.8915531471731006
Energy: 0.8258317164104226
Energy: 0.7959272775522571
Energy: 0.8258317164104226
Energy: 0.7959272775522571
Energy: 0.9162406595408773
Energy: 0.7959272775522571
Energy: 1.0139729628925926
Energy: 0.8604634557252031
Energy: 1.0139729628925926
Energy: 0.8604634557252031
Energy: 1.0139729628925926
Energy: 0.8604634557252031

minimum gb energy = 0.7637896645732899 eV
minimum distance =  2.29870340989336 Angstroms
sigma value = 9


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

Energy: 0.7522969509590653
Energy: 0.8948695263859017
Energy: 0.752296950959472
Energy: 0.8948695263850885
Energy: 0.752296950959472
Energy: 0.8948695263850885
Energy: 1.0169662452946509
Energy: 0.7235646048632413
Energy: 1.0169662452950572
Energy: 0.9147757942554673
Energy: 1.0169662452946509
Energy: 0.7995649999325742
Energy: 0.707458240138704
Energy: 1.1841072804429702
Energy: 0.7074582401382974
Energy: 1.1841072804429702
Energy: 0.7074582401391104
Energy: 1.1841072804421573
Energy: 0.7010012000075492
Energy: 0.6909740945034353
Energy: 0.7010012000083623
Energy: 0.6909740945034353
Energy: 0.7010012000079558
Energy: 0.6909740945034353
Energy: 0.8178250259315181
Energy: 0.8357614350847132
Energy: 0.8178250259311116
Energy: 0.8357614350847132
Energy: 0.8178250259315181
Energy: 0.8357614350839002
Energy: 0.7347992072553692
Energy: 0.7734229564292053
Energy: 0.7347992072545562
Energy: 0.8001714243659235
Energy: 0.7347992072557756
Energy: 0.800171424364704
Energy: 0.71017220544501
Energy: 0.8499926165527912
Energy: 0.7101722054466362
Energy: 0.8499926165527912
Energy: 0.71017220544501
Energy: 0.8499926165527912
Energy: 0.676025303928226
Energy: 0.8583818152761533
Energy: 0.676025303928226
Energy: 0.8583818152757469
Energy: 0.676025303928226
Energy: 0.8583818152757469
Energy: 1.2404577749806516
Energy: 0.8629281696364001
Energy: 1.240457774981871
Energy: 0.8629281696368066
Energy: 1.2404577749806516
Energy: 0.8629281696368066
Energy: 0.8758397003624261
Energy: 1.029135527001405
Energy: 0.8758397003620195
Energy: 1.0291355270018114
Energy: 0.8758397003624261
Energy: 1.0291355270022182
Energy: 0.7005983502559584
Energy: 0.694635516308824
Energy: 0.7005983502559584
Energy: 0.694635516308824
Energy: 0.700598350255552
Energy: 0.6946355163092305
Energy: 0.7795513343552956
Energy: 0.7199300478049464
Energy: 0.7795513343557021
Energy: 0.7199300478402778
Energy: 0.7795513343552956
Energy: 0.7199300478240165
Energy: 0.7314178671146282
Energy: 0.732001330360534
Energy: 0.731417855385694
Energy: 0.732001330360534
Energy: 0.7314178660987782
Energy: 0.7320013303601276
Energy: 0.7490784052332979
Energy: 0.8962606864073008
Energy: 0.7490784052349241
Energy: 0.896260686408927
Energy: 0.7490784052328914
Energy: 0.896260686408927
Energy: 0.6804190171145279
Energy: 0.8538029917929145
Energy: 0.6804190171145279
Energy: 0.8538029917929145
Energy: 0.6804190171145279
Energy: 0.8538029917929145
Energy: 0.699130024904748
Energy: 0.7349357944181899
Energy: 0.699130024904748
Energy: 0.7349357944177833
Energy: 0.6991300249043414
Energy: 0.734935794419003
Energy: 1.0530977968355173
Energy: 0.8930077877023184
Energy: 1.0530977968355173
Energy: 0.8930077877445978
Energy: 1.0530977968355173
Energy: 0.8930077876633282
Energy: 0.6869208687544195
Energy: 0.8911140415429123
Energy: 0.686920868754826
Energy: 0.8911140415429123
Energy: 0.6869208687544195
Energy: 0.8911140415425057
Energy: 0.6636886513601538
Energy: 0.9841919018263944
Energy: 0.6636886513605603
Energy: 0.9841919018263944
Energy: 0.6636886513605603
Energy: 0.9841919018263944
Energy: 0.952077314691534
Energy: 0.7513710995728824
Energy: 0.9520773146919406
Energy: 0.7839864303067248
Energy: 0.9520773146919406
Energy: 0.731158971456644
Energy: 0.6637851237780721
Energy: 0.9841783094512734
Energy: 0.6637851237780721
Energy: 0.98417830945168
Energy: 0.6637851237776656
Energy: 0.9841783094520864
Energy: 0.6869211840788625
Energy: 0.8909100377381491
Energy: 0.6869211840792689
Energy: 0.8909100377381491
Energy: 0.6869211840788625
Energy: 0.8909100377377426
Energy: 1.0529462876001712
Energy: 0.8934743291494102
Energy: 1.0529462876005777
Energy: 0.8934743291640452
Energy: 1.0529462876001712
Energy: 0.8934743291498165
Energy: 0.6992188262895371
Energy: 0.6969965288324823
Energy: 0.6992188262911633
Energy: 0.6969965288820791
Energy: 0.6992188262899437
Energy: 0.6969965289393631
Energy: 0.6802504054526443
Energy: 0.8536807801376005
Energy: 0.6802504054534573
Energy: 0.8536807801376005
Energy: 0.6802504054534573
Energy: 0.8536807801376005
Energy: 0.7490976786608717
Energy: 0.8964864260997184
Energy: 0.7490976786604653
Energy: 0.8964864260989054
Energy: 0.7490976786608717
Energy: 0.8964864260984988
Energy: 0.7311322428476841
Energy: 0.7318564789678835
Energy: 0.7311322428460579
Energy: 0.7318564789666638
Energy: 0.7311322428460579
Energy: 0.7318564789678835
Energy: 0.7797449293323128
Energy: 0.6773399712477312
Energy: 0.7797449293319062
Energy: 0.6773399712465116
Energy: 0.7797449293323128
Energy: 0.6773399712481377
Energy: 0.7006901052808248
Energy: 0.6946465452455541
Energy: 0.7006901052804182
Energy: 0.6946465452451476
Energy: 0.7006901052808248
Energy: 0.6946465452455541
Energy: 0.8757757278689661
Energy: 1.164624385559967
Energy: 0.8757757278697791
Energy: 1.1646243855603735
Energy: 0.8757757278697791
Energy: 1.164624385559967
Energy: 1.2401230620350998
Energy: 0.8627025389198156
Energy: 1.2401230620363193
Energy: 0.8627025389190027
Energy: 1.240123062035913
Energy: 0.8627025389198156
Energy: 0.6760684256099457
Energy: 0.8587418370151623
Energy: 0.6760684256099457
Energy: 0.8587418370155688
Energy: 0.6760684256099457
Energy: 0.8587418370151623
Energy: 0.7103974641506718
Energy: 0.8435600541535229
Energy: 0.7103974641340041
Energy: 0.8435600541531163
Energy: 0.710397464133191
Energy: 0.8435600541527098
Energy: 0.7349279333026915
Energy: 0.9241130340177682
Energy: 0.7349279333047241
Energy: 0.9241130340169552
Energy: 0.7349279333006588
Energy: 0.9241130340177682
Energy: 0.8178785233895468
Energy: 0.8359789322488768
Energy: 0.8178785233891402
Energy: 0.8359789322484702
Energy: 0.8178785233895468
Energy: 0.8359789322488768
Energy: 0.7010433990932788
Energy: 0.6900682578247225
Energy: 0.7010433990932788
Energy: 0.6900682578247225
Energy: 0.7010433990932788
Energy: 0.6900682578247225
Energy: 0.7074100818011531
Energy: 1.182659700879899
Energy: 0.7074100818015595
Energy: 1.1826597008794923
Energy: 0.7074100818015595
Energy: 1.182659700879899
Energy: 1.0173893955374926
Energy: 0.847274344914397
Energy: 1.0173893955391187
Energy: 0.84727434491521
Energy: 1.0173893955374926
Energy: 0.8472743449139905
Energy: 0.7522969509598785
Energy: 0.8948695263850885
Energy: 0.752296950960285
Energy: 0.8948695263846822
Energy: 0.752296950960285
Energy: 0.8948695263846822
Energy: 1.016966245294244
Energy: 0.7235646048628347
Energy: 1.0169662452950572
Energy: 0.7235646048628347
Energy: 1.0169662452946509
Energy: 0.7235646048628347
Energy: 0.7074582401378909
Energy: 1.1841072804454096
Energy: 0.7074582401382974
Energy: 1.1841072804445965
Energy: 0.7074582401378909
Energy: 1.1841072804458161
Energy: 0.7010012000087689
Energy: 0.6909740945030287
Energy: 0.7010012000087689
Energy: 0.6909740945030287
Energy: 0.7010012000091753
Energy: 0.6909740945034353
Energy: 0.817825025930705
Energy: 0.8357614350851198
Energy: 0.817825025930705
Energy: 0.8357614350851198
Energy: 0.817825025930705
Energy: 0.8357614350847132

minimum gb energy = 0.6636886513601538 eV
minimum distance =  2.36885419799258 Angstroms
sigma value = 57


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

Energy: 0.5184776863791852
Energy: 0.5048794178525243
Energy: 0.3020480765218259
Energy: 0.5048794178525243
Energy: 0.5184776863782599
Energy: 0.5048794178525243
Energy: 0.593091727222368
Energy: 0.5042992659840014
Energy: 0.5930917272232935
Energy: 0.503969811098112
Energy: 0.593091727222368
Energy: 0.5042992659840014
Energy: 0.5411722649001304
Energy: 0.9403681241116361
Energy: 0.5411722649001304
Energy: 0.8273352050623592
Energy: 0.5411722649010557
Energy: 0.9403681241125614
Energy: 0.5060544120563568
Energy: 0.41051662050141174
Energy: 0.5060544120554316
Energy: 0.30188577554969614
Energy: 0.5060544120554316
Energy: 0.41051662050141174
Energy: 0.3902810018899921
Energy: 0.5994843795304183
Energy: 0.3902810018899921
Energy: 0.5994843795313437
Energy: 0.3902810018899921
Energy: 0.5994843795313437
Energy: 0.30208177335859115
Energy: 1.3491784041758847
Energy: 0.30208177335859115
Energy: 1.3491784041749593
Energy: 0.30208177335859115
Energy: 1.3491784041749593
Energy: 0.3020883828357122
Energy: 0.3419148827159301
Energy: 0.3020883828366376
Energy: 0.34191488271685555
Energy: 0.3020883828366376
Energy: 0.3419148827159301
Energy: 0.5927736440688712
Energy: 0.39505416701336526
Energy: 0.5927736440688712
Energy: 0.39505416701243984
Energy: 0.5927736440688712
Energy: 0.39505416701336526
Energy: 0.5071739861084923
Energy: 0.3018186437380622
Energy: 0.5071739861094177
Energy: 0.4105399480010665
Energy: 0.5071739861103431
Energy: 0.3018186437380622
Energy: 0.344645710593884
Energy: 1.159833086752779
Energy: 0.344645710593884
Energy: 1.1598330867518536
Energy: 0.34464571059295857
Energy: 1.159833086750928
Energy: 0.3928200614662289
Energy: 1.1817173037611808
Energy: 0.3928200614662289
Energy: 1.1817173037611808
Energy: 0.39282006146715437
Energy: 1.1817173037611808
Energy: 0.5184776863791852
Energy: 0.5048794178525243
Energy: 0.3020480765218259
Energy: 0.5048794178525243
Energy: 0.5184776863782599
Energy: 0.5048794178534497
Energy: 0.593091727222368
Energy: 0.5042992659840014
Energy: 0.5930917272232935
Energy: 0.503969811098112
Energy: 0.593091727222368
Energy: 0.5042992659840014
Energy: 0.5411722649001304
Energy: 0.9403681241125614
Energy: 0.5411722649001304
Energy: 0.8273352050623592
Energy: 0.5411722649010557
Energy: 0.9403681241134868
Energy: 0.5060544120572824
Energy: 0.41051662050141174
Energy: 0.5060544120563568
Energy: 0.30188577554969614
Energy: 0.5060544120563568
Energy: 0.41051662050141174
Energy: 0.3902810018899921
Energy: 0.5994843795313437
Energy: 0.3902810018899921
Energy: 0.5994843795313437
Energy: 0.3902810018899921
Energy: 0.5994843795313437
Energy: 0.3020817733576658
Energy: 1.3491784041758847
Energy: 0.30208177335859115
Energy: 1.3491784041758847
Energy: 0.30208177335859115
Energy: 1.3491784041758847
Energy: 0.3020883828357122
Energy: 0.3419148827150048
Energy: 0.3020883828366376
Energy: 0.3419148827159301
Energy: 0.3020883828366376
Energy: 0.34191488271685555
Energy: 0.5927736440688712
Energy: 0.39505416701336526
Energy: 0.5927736440688712
Energy: 0.39505416701243984
Energy: 0.5927736440688712
Energy: 0.3950541670115144

minimum gb energy = 0.3018186437380622 eV
minimum distance =  2.45035916959048 Angstroms
sigma value = 11


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

Energy: 0.6504144978944347
Energy: 0.7535504101494463
Energy: 0.6504144978944347
Energy: 0.7535504101494463
Energy: 0.6504144978937567
Energy: 0.7535504101494463
Energy: 0.7873053043910574
Energy: 0.7297546440025356
Energy: 0.7873053043897017
Energy: 0.7297546440018579
Energy: 0.7873053043897017
Energy: 0.7297546440025356
Energy: 0.8729503634815904
Energy: 1.0313636639934258
Energy: 0.907399241117712
Energy: 1.0313636639934258
Energy: 0.9073992411190677
Energy: 1.0313636639934258
Energy: 0.9725376062352818
Energy: 0.621187872889574
Energy: 0.9725376062352818
Energy: 0.6211878728902518
Energy: 0.9725376062359595
Energy: 0.6211878728902518
Energy: 0.7390576721916168
Energy: 0.5493383740636251
Energy: 0.7390576721916168
Energy: 0.5493383740636251
Energy: 0.7390576721916168
Energy: 0.5493383740636251
Energy: 0.6842515613160622
Energy: 0.8002974377100395
Energy: 0.6842515613180958
Energy: 0.8002974377107174
Energy: 0.6842515613147065
Energy: 0.8002974377107174
Energy: 0.55920554155596
Energy: 0.803680014569197
Energy: 0.55920554155596
Energy: 0.803680014569197
Energy: 0.55920554155596
Energy: 0.8036800145705529
Energy: 0.7536241381912157
Energy: 0.524594872110032
Energy: 0.7536241381912157
Energy: 0.524594872110032
Energy: 0.7536241381912157
Energy: 0.5245948721107099
Energy: 0.7489735294477016
Energy: 0.541220440819748
Energy: 0.7489735294477016
Energy: 0.541220440819748
Energy: 0.7489735294477016
Energy: 0.541220440819748
Energy: 0.5386160701795518
Energy: 1.0444746812935497
Energy: 0.5386160701788738
Energy: 1.0444746812935497
Energy: 0.5386160701802296
Energy: 1.0444746812942276
Energy: 0.6930203675074008
Energy: 1.0226520077541676
Energy: 0.6930203675067229
Energy: 1.0226520077548458
Energy: 0.6930203675074008
Energy: 1.02265200775349
Energy: 0.7439567299269623
Energy: 0.5515564208924345
Energy: 0.7439567299276402
Energy: 0.5515564208917566
Energy: 0.7439567299276402
Energy: 0.5515564208917566
Energy: 0.7590752808213316
Energy: 0.6206724192825189
Energy: 0.7590752808213316
Energy: 0.620672419281841
Energy: 0.7590752808213316
Energy: 0.620672419281841
Energy: 0.8237113261744867
Energy: 0.9742273230940627
Energy: 0.8237113261744867
Energy: 0.9742273230920291
Energy: 0.8237113261744867
Energy: 0.9742273230940627
Energy: 0.7904123551590364
Energy: 0.7266388430432823
Energy: 0.7904123551590364
Energy: 0.7266388430419266
Energy: 0.7904123551590364
Energy: 0.7266388430426045
Energy: 0.6514053421686212
Energy: 0.7541058385740813
Energy: 0.6514053421686212
Energy: 0.7541058385740813
Energy: 0.6514053421679434
Energy: 0.7541058385740813
Energy: 0.6517993094728118
Energy: 0.7460411566553226
Energy: 0.6517993094728118
Energy: 0.7460411566560005
Energy: 0.6517993094728118
Energy: 0.7460411566560005
Energy: 0.949018147773622
Energy: 0.8429731827884512
Energy: 0.949018147773622
Energy: 0.8429731827851235
Energy: 0.9490181477742998
Energy: 0.8429731827877733
Energy: 0.9815762433996376
Energy: 0.5735421396000083
Energy: 0.9815762434003154
Energy: 0.5735421396020419
Energy: 0.9815762433996376
Energy: 0.5735421396013641
Energy: 0.743754210246889
Energy: 0.649234100879679
Energy: 0.7437542102475669
Energy: 0.649234100879679
Energy: 0.743754210246889
Energy: 0.649234100879001
Energy: 0.5382262863867491
Energy: 0.7551629637148083
Energy: 0.5382262863867491
Energy: 0.7551629637141305
Energy: 0.5382262863860712
Energy: 0.7551629637148083
Energy: 0.7477313314323261
Energy: 0.801906221029518
Energy: 0.7477313314309703
Energy: 0.801906221030874
Energy: 0.7477313314309703
Energy: 0.8019062210288401
Energy: 0.7544009957024634
Energy: 0.6639660391197624
Energy: 0.7544009957017855
Energy: 0.6639660391190846
Energy: 0.7544009957017855
Energy: 0.6639660391190846
Energy: 0.750195389938955
Energy: 0.6399647555566428
Energy: 0.750195389938955
Energy: 0.6399647555559648
Energy: 0.750195389938955
Energy: 0.6399647555559648
Energy: 0.5387833964466476
Energy: 1.0253600560224851
Energy: 0.5387833964473256
Energy: 1.0253600560211296
Energy: 0.5387833964473256
Energy: 1.0253600560211296
Energy: 1.1983591741168573
Energy: 1.0169453322838842
Energy: 1.1983591741161796
Energy: 1.0169453322838842
Energy: 1.1983591741161796
Energy: 1.0169453322838842

minimum gb energy = 0.524594872110032 eV
minimum distance =  2.36052504299744 Angstroms
sigma value = 41


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

Energy: 0.7412275922444264
Energy: 0.6394594647170606
Energy: 0.7412275922444264
Energy: 0.6394594647165264
Energy: 0.7412275922449606
Energy: 0.6394594647159921
Energy: 0.8129915542532208
Energy: 0.9158624688545959
Energy: 0.8129915542532208
Energy: 0.9158624688545959
Energy: 0.8129915542532208
Energy: 0.9158624688545959
Energy: 1.0687618706413338
Energy: 1.2076579495552198
Energy: 1.0687618706413338
Energy: 1.2076579495552198
Energy: 1.0687618706413338
Energy: 1.2076579495546858
Energy: 0.7899402780586203
Energy: 0.6360039992496566
Energy: 0.7899402780580861
Energy: 0.6360039992491223
Energy: 0.7899402780580861
Energy: 0.6360039992491223
Energy: 0.5926179562735059
Energy: 0.6425086908581021
Energy: 0.5926179562740402
Energy: 0.6425086908581021
Energy: 0.5926179562740402
Energy: 0.6425086908586364
Energy: 0.7946531521396464
Energy: 0.9223285984562495
Energy: 0.7946531521407149
Energy: 0.9223285984562495
Energy: 0.7946531521401806
Energy: 0.9223285984567838
Energy: 0.6109997231161656
Energy: 0.9797721321054401
Energy: 0.6109997231166999
Energy: 0.9797721321049059
Energy: 0.6109997231172342
Energy: 0.9797721321054401
Energy: 0.6038898847418736
Energy: 0.6362166185900433
Energy: 0.6038898847413393
Energy: 0.6362166185900433
Energy: 0.6038898847418736
Energy: 0.6362166185900433
Energy: 0.6042383659804024
Energy: 0.6350269880256785
Energy: 0.6042383659793338
Energy: 0.6350269880256785
Energy: 0.6042383659798682
Energy: 0.6350269880262129
Energy: 0.6597870029329179
Energy: 1.0926474260285348
Energy: 0.6597870029329179
Energy: 1.0926474260285348
Energy: 0.6597870029329179
Energy: 1.0926474260285348
Energy: 0.6595610385535721
Energy: 1.0674392439844314
Energy: 0.6595610385541064
Energy: 1.0674392439849656
Energy: 0.6595610385546407
Energy: 1.0674392439844314
Energy: 0.6153697945541029
Energy: 0.9162289695257633
Energy: 0.6153697945541029
Energy: 0.923141666945369
Energy: 0.6153697945541029
Energy: 0.7544351149528304
Energy: 0.5958330494606141
Energy: 0.6264860999582929
Energy: 0.5958330494606141
Energy: 0.6264860999577586
Energy: 0.5958330494606141
Energy: 0.6264860999577586
Energy: 0.5682131422932699
Energy: 1.299291009935611
Energy: 0.5682131422932699
Energy: 1.299291009935611
Energy: 0.5682131422927356
Energy: 1.299291009935611
Energy: 0.7910214759872173
Energy: 0.9964773703977675
Energy: 0.7910214759877515
Energy: 0.9964773703977675
Energy: 0.7910214759872173
Energy: 0.9964773703977675
Energy: 0.6017177760296307
Energy: 0.9321637027018109
Energy: 0.6017177760296307
Energy: 0.9396820086425404
Energy: 0.6017177760296307
Energy: 0.8589860437398612
Energy: 0.617861025803026
Energy: 0.6262988457154055
Energy: 0.6178610258024918
Energy: 0.6262988457159397
Energy: 0.6178610258024918
Energy: 0.6262988457159397
Energy: 0.8730752995205584
Energy: 1.2410285152336105
Energy: 0.8730752995205584
Energy: 1.2410285152325422
Energy: 0.8730752995205584
Energy: 1.2410285152330762
Energy: 0.8135963990731857
Energy: 0.8618977626900437
Energy: 0.8135963990742545
Energy: 0.8618977626895094
Energy: 0.8135963990742545
Energy: 0.8618977626900437
Energy: 0.7338582488536396
Energy: 0.9110720602874903
Energy: 0.7338582488531052
Energy: 0.9792142703596348
Energy: 0.7338582488531052
Energy: 0.7718601108985672
Energy: 0.601650252856601
Energy: 0.9113049587024434
Energy: 0.601650252856601
Energy: 0.9113049587024434
Energy: 0.6016502528576696
Energy: 0.9113049587024434
Energy: 1.0668973318624382
Energy: 1.1061438500183505
Energy: 1.0668973318624382
Energy: 1.1061438500210217
Energy: 1.0668973318624382
Energy: 1.1061438500194187
Energy: 0.8068342162383371
Energy: 0.6091822167107644
Energy: 0.8068342162383371
Energy: 0.6091822167102301
Energy: 0.8068342162383371
Energy: 0.6091822167102301
Energy: 0.6018394439312739
Energy: 0.9194132215624332
Energy: 0.6018394439312739
Energy: 0.9502206509341877
Energy: 0.6018394439312739
Energy: 0.8525363424928891
Energy: 0.5807622910902808
Energy: 0.9328992063849554
Energy: 0.5807622910902808
Energy: 0.9328992063844211
Energy: 0.5807622910902808
Energy: 0.9328992063849554
Energy: 0.6097104398613091
Energy: 0.628283877604386
Energy: 0.6097104398613091
Energy: 0.7477316970122059
Energy: 0.6097104398613091
Energy: 0.9543928400380548
Energy: 0.5915705765084772
Energy: 0.6088713460499346
Energy: 0.591570576507943
Energy: 0.6088713460499346
Energy: 0.5915705765090116
Energy: 0.6088713460504689
Energy: 0.6042311232490352
Energy: 0.905366285344861
Energy: 0.6042311232490352
Energy: 0.95738052026941
Energy: 0.6042311232490352
Energy: 0.7674311404208286
Energy: 0.7347340389627848
Energy: 0.9160998278073733
Energy: 0.7347340389622505
Energy: 0.9160998278079076
Energy: 0.7347340389627848
Energy: 0.9160998278079076
Energy: 0.8982511525488773
Energy: 0.5925843493114985
Energy: 0.8982511525413973
Energy: 0.6520216767875464
Energy: 0.8982511525462059
Energy: 0.9437237646478284
Energy: 0.589451822135616
Energy: 0.7466266950907782
Energy: 0.589451822135616
Energy: 0.7466266950891753
Energy: 0.5894518221350816
Energy: 0.7466266950902439
Energy: 0.621899725130563
Energy: 0.7171943855143889
Energy: 0.6218997251300289
Energy: 0.7171943855143889
Energy: 0.6218997251300289
Energy: 0.7171943855143889
Energy: 0.5808852253731676
Energy: 0.7663948851218381
Energy: 0.5808852253731676
Energy: 0.7663948851218381
Energy: 0.5808852253731676
Energy: 0.7663948851218381

minimum gb energy = 0.5682131422927356 eV
minimum distance =  2.39585747788925 Angstroms
sigma value = 33


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

Energy: 0.8412018925050875
Energy: 0.6903262167720404
Energy: 0.700001165175764
Energy: 0.6903262167716655
Energy: 0.8412018925054624
Energy: 0.6903262167727905
Energy: 1.0318583807579662
Energy: 0.6602750013580885
Energy: 1.0318583807579662
Energy: 0.6602750013580885
Energy: 1.0318583807575912
Energy: 0.6602750013580885
Energy: 1.1570206896150583
Energy: 0.9945680633746812
Energy: 1.1570206896158082
Energy: 0.9945680633735564
Energy: 1.1570206896146833
Energy: 0.9945680633724315
Energy: 1.0060497222264293
Energy: 0.672228927380567
Energy: 1.0060497222264293
Energy: 0.672228927380192
Energy: 1.0060497222271791
Energy: 0.6722289273809421
Energy: 0.6831478539116561
Energy: 1.1435807506245657
Energy: 0.6834379062737972
Energy: 1.1435807506249407
Energy: 0.683147853912031
Energy: 1.1435807506249407
Energy: 0.9749632262060597
Energy: 0.651841863171273
Energy: 0.9749632262079345
Energy: 0.651841863171273
Energy: 0.9749632262056847
Energy: 0.6518418631720229
Energy: 0.7033973287239395
Energy: 0.8399905582080195
Energy: 0.7033973287231896
Energy: 0.8399905415596838
Energy: 0.7033973287243144
Energy: 0.8399905783468705
Energy: 0.7939908903791364
Energy: 0.805928847011071
Energy: 0.7939908903798863
Energy: 0.8059288470114462
Energy: 0.7939908903791364
Energy: 0.8059288470106962
Energy: 1.121226280171521
Energy: 0.7116224407291294
Energy: 1.1212219827612708
Energy: 0.7116224407287544
Energy: 1.121226280171521
Energy: 0.7116224407317542
Energy: 1.0129684189097057
Energy: 0.6790420907825686
Energy: 1.0129684189115804
Energy: 0.6790420907825686
Energy: 1.0129684189089556
Energy: 0.6790420907814437
Energy: 0.7348960175336255
Energy: 0.6930378547068802
Energy: 0.7348960175332506
Energy: 0.6930378547068802
Energy: 0.7348960175350914
Energy: 0.6930378547057553
Energy: 1.1669059612100865
Energy: 0.671787384883613
Energy: 1.1669059612108366
Energy: 0.671787384883613
Energy: 1.1669059612100865
Energy: 0.6717873848809883
Energy: 0.670379925021127
Energy: 1.129669252455783
Energy: 0.670379925021127
Energy: 1.129669252455783
Energy: 0.670379925021127
Energy: 1.1296692524539083
Energy: 0.8095617006297384
Energy: 0.782176522453537
Energy: 0.8095617006293636
Energy: 0.782176522453162
Energy: 0.8095617006293636
Energy: 0.782176522452412
Energy: 0.718740980355768
Energy: 0.6612911193908881
Energy: 0.7187409803550181
Energy: 0.6612911193905132
Energy: 0.718740980355393
Energy: 0.6612911193897631
Energy: 0.7298441840906434
Energy: 0.9650267374821955
Energy: 0.7298441840913934
Energy: 0.9650267374814454
Energy: 0.7298441840906434
Energy: 0.9650267374825703
Energy: 1.1160765280015454
Energy: 0.6843930429704503
Energy: 1.1160765279996707
Energy: 0.6843930429700753
Energy: 1.1160765280015454
Energy: 0.6843930429682005
Energy: 0.670417956798234
Energy: 0.9955980096522511
Energy: 0.6704628091739799
Energy: 0.9955980096522511
Energy: 0.670417956798984
Energy: 0.9955980096526259
Energy: 1.0000122200608363
Energy: 1.0787644453812715
Energy: 1.0000122200615862
Energy: 1.0787644453816465
Energy: 1.0000122200608363
Energy: 1.0787644453823964
Energy: 1.1275301815770065
Energy: 0.6728201648738005
Energy: 1.1275301815762566
Energy: 0.6728201648738005
Energy: 1.1275301815766317
Energy: 0.6728201648723006
Energy: 0.671988709729166
Energy: 0.7111432686268873
Energy: 0.671988709729166
Energy: 0.7111432686268873
Energy: 0.671988709728791
Energy: 0.7111432686276372
Energy: 0.6578387812014669
Energy: 1.056114033443766
Energy: 0.6576047949999563
Energy: 1.056114033443766
Energy: 0.6578387812014669
Energy: 1.0561140334448909
Energy: 0.9128273371262042
Energy: 0.9274615808078207
Energy: 0.9128273371265794
Energy: 0.9274615808081956
Energy: 0.9128273371262042
Energy: 0.9274615808066958
Energy: 0.6745398496029577
Energy: 1.0051388232235554
Energy: 0.6745398496040825
Energy: 1.0051388232243055
Energy: 0.6745398496033327
Energy: 1.0051388232258052
Energy: 1.1406317397061976
Energy: 0.6846394391252807
Energy: 1.1406317397061976
Energy: 0.6846394391252807
Energy: 1.1406317397061976
Energy: 0.6846394391230308
Energy: 0.6502167412376034
Energy: 0.9296156590844404
Energy: 0.6502167412372284
Energy: 0.9296156590836905
Energy: 0.6502167412372284
Energy: 0.9296156590829405
Energy: 0.9627903863132026
Energy: 0.7492706644151423
Energy: 0.9627903863143275
Energy: 0.7492706644151423
Energy: 0.9627903863132026
Energy: 0.7492706644140174
Energy: 0.7972141474567925
Energy: 0.6746676826901457
Energy: 0.7589340250994501
Energy: 0.6746676826897708
Energy: 0.7972141474579175
Energy: 0.6746676826886459
Energy: 0.7125223005082224
Energy: 1.1289534140608688
Energy: 0.7125223005055975
Energy: 1.1289534140608688
Energy: 0.7125223005078475
Energy: 1.1289534140612436
Energy: 0.6768348735802331
Energy: 1.012358021759838
Energy: 0.676834873582108
Energy: 1.012358021759838
Energy: 0.6768348735806081
Energy: 1.012358021758713
Energy: 0.930357323123766
Energy: 0.6719034394489914
Energy: 0.9303573231241409
Energy: 0.6719034394489914
Energy: 0.9303573231248908
Energy: 0.6719034394493665
Energy: 0.7000579156487804
Energy: 1.1675164229818145
Energy: 0.7001242774215233
Energy: 1.1675164229818145
Energy: 0.7000579156487804
Energy: 1.1675164229829393
Energy: 1.1378850073137774
Energy: 0.687937354941631
Energy: 1.1378850073149025
Energy: 0.687937354941256
Energy: 1.1378850073137774
Energy: 0.687937354942381
Energy: 0.7330378162244272
Energy: 0.7905939059129923
Energy: 0.7330378162236774
Energy: 0.7905939059126174
Energy: 0.7330378162244272
Energy: 0.7905939059126174
Energy: 0.7960702367314968
Energy: 0.7559508436783924
Energy: 0.7960702367311219
Energy: 0.7559508436783924
Energy: 0.7960702367311219
Energy: 0.7559508436780173
Energy: 1.1274905806453992
Energy: 0.72341467299871
Energy: 1.1274948537639524
Energy: 0.7234146729994598
Energy: 1.127490580645774
Energy: 0.7234146729994598
Energy: 0.6971434462343552
Energy: 1.1264593034942547
Energy: 0.6971434462347302
Energy: 1.12645930349388
Energy: 0.6971434462343552
Energy: 1.1264593034950048
Energy: 0.7703251049760901
Energy: 0.6700027362003175
Energy: 0.7703251049783398
Energy: 0.6700027362003175
Energy: 0.770325104976465
Energy: 0.6700027361999424
Energy: 0.7196488291764459
Energy: 0.997694893226221
Energy: 0.719655555577333
Energy: 0.9976948932269709
Energy: 0.719648829176071
Energy: 0.9976948932265961
Energy: 0.670449318578433
Energy: 1.1186940141756803
Energy: 0.670449318577308
Energy: 1.1186940141756803
Energy: 0.6704493185780581
Energy: 1.1186940141741804
Energy: 0.7130344760444682
Energy: 0.674944566323975
Energy: 0.7130344760452181
Energy: 0.674944566323975
Energy: 0.7130344760448432
Energy: 0.6749445663228502
Energy: 1.057477864219845
Energy: 0.7123140652029953
Energy: 1.057477864220595
Energy: 0.7123140652029953
Energy: 1.0574778642194702
Energy: 0.7123140652033704
Energy: 0.6928672277588989
Energy: 0.9135655910068746
Energy: 0.692867227757399
Energy: 0.9135655910068746
Energy: 0.6928672277592738
Energy: 0.9135655910064998
Energy: 1.104796020384622
Energy: 0.684355032403582
Energy: 1.104796020386872
Energy: 0.684355032403582
Energy: 1.1047960203842473
Energy: 0.6843550324039569
Energy: 0.6961828977322504
Energy: 0.9917949124364832
Energy: 0.6961872331302006
Energy: 0.9917949124368581
Energy: 0.6961828977322504
Energy: 0.991794912438733
Energy: 0.9564066619300502
Energy: 0.8757393636043274
Energy: 0.9564066619289253
Energy: 0.8757393636043274
Energy: 0.9564066619296753
Energy: 0.8757393636050773
Energy: 0.657701917612851
Energy: 1.0113039523108966
Energy: 0.6577019176154758
Energy: 1.0113039523112715
Energy: 0.657701917612851
Energy: 1.0113039523120215

minimum gb energy = 0.6502167412372284 eV
minimum distance =  2.33992074778694 Angstroms
sigma value = 67


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

Energy: 0.7469555421401998
Energy: 0.676911409554773
Energy: 0.7469555421407124
Energy: 0.6769114095545167
Energy: 0.7469555421407124
Energy: 0.6769114095550293
Energy: 0.7330994546609304
Energy: 0.6631704840826927
Energy: 0.7330994546609304
Energy: 0.6631704840824364
Energy: 0.7330994546606742
Energy: 0.6631704840826927
Energy: 0.9117950160910396
Energy: 0.8670708073393667
Energy: 0.9117950160910396
Energy: 0.8670708073398793
Energy: 1.1316207120870097
Energy: 0.8670708073401071
Energy: 0.7330918782128478
Energy: 0.6631630665848066
Energy: 0.7330918782131041
Energy: 0.6631630665848066
Energy: 0.7330918782131041
Energy: 0.663163066585063
Energy: 0.7469555421411964
Energy: 0.6769114095552571
Energy: 0.7469555421414528
Energy: 0.676911409554773
Energy: 0.7469555421401998
Energy: 0.676911409554773
Energy: 0.7330994546604463
Energy: 0.66317048408218
Energy: 0.73309945466019
Energy: 0.6631704840824364
Energy: 0.7330994546604463
Energy: 0.66317048408218
Energy: 0.6855557938357597
Energy: 0.8670708073398793
Energy: 0.6855557938355035
Energy: 0.867070807339623
Energy: 0.6855557938357597
Energy: 0.867070807339623

minimum gb energy = 0.6631630665848066 eV
minimum distance =  2.38933394791621 Angstroms
sigma value = 3


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

Energy: 1.0964289224596302
Energy: 0.9157621413993167
Energy: 1.0964289224606223
Energy: 0.9157621413996886
Energy: 1.0964289224599402
Energy: 0.9157621413990067
Energy: 0.9761707622979939
Energy: 0.9170059171767796
Energy: 0.9761707622983039
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Energy: 0.9761707622979939
Energy: 0.9170059171770898
Energy: 0.8326670144186408
Energy: 1.227904013535076
Energy: 0.8326670144193228
Energy: 1.2279040135353863
Energy: 0.8326670144179588
Energy: 1.227904013535076
Energy: 1.0587730862397127
Energy: 0.9664161920440043
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Energy: 0.9664161920440043
Energy: 1.0587730862400848
Energy: 0.9664161920440043
Energy: 0.9545255203156765
Energy: 0.9988120101021766
Energy: 0.9545255203156765
Energy: 0.9988120101021766
Energy: 0.9545255203156765
Energy: 0.9988120101018666
Energy: 0.8916713816834362
Energy: 1.067962210599106
Energy: 0.8916713816834362
Energy: 1.0679622105987339
Energy: 0.8916713816831261
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Energy: 1.0053311803087701
Energy: 1.171129626687532
Energy: 1.0053311803098244
Energy: 1.171129626687842
Energy: 1.0053311803087701
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Energy: 1.053986677285053
Energy: 0.8241074971461788
Energy: 1.0539866772843711
Energy: 0.8500198633150731
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Energy: 0.8738926694619188
Energy: 0.9579794999144816
Energy: 0.873892669462291
Energy: 0.9579794999147918
Energy: 0.8738926694616088
Energy: 0.9579794999151637
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Energy: 1.0942151969570164
Energy: 0.9136961381940877
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Energy: 1.0942151969573886
Energy: 1.1217782521567308
Energy: 1.2407465666642703
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Energy: 1.2407465666646424
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Energy: 1.2407465666649524
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Energy: 0.8829040381116346
Energy: 0.9650906769348777
Energy: 0.9073422249203992
Energy: 0.9650906769355597
Energy: 0.9099926735689565
Energy: 0.8798614928170858
Energy: 0.9656271772343071
Energy: 0.8798614928164037
Energy: 0.9656271772339972
Energy: 0.8798614928160936
Energy: 0.9656271772339972
Energy: 0.9240963501764632
Energy: 1.1030509450200485
Energy: 0.924096350176153
Energy: 1.1030509450204207
Energy: 0.9240963501764632
Energy: 1.1030509450204207
Energy: 1.2479763779939244
Energy: 1.0743975892067998
Energy: 1.2479763779946063
Energy: 1.0743975892067998
Energy: 1.2479763779939244
Energy: 1.0743975892071098
Energy: 1.0529140573571816
Energy: 0.9357198343210728
Energy: 1.0529140573571816
Energy: 0.935719834322127
Energy: 1.052914057358236
Energy: 0.9161944013890495
Energy: 0.9625679247526667
Energy: 0.9510725183011428
Energy: 0.9625679247533488
Energy: 0.9510725183011428
Energy: 0.9625679247526667
Energy: 0.9510725183011428
Energy: 0.9493254182988895
Energy: 1.1138576091590764
Energy: 0.9493254182985796
Energy: 1.1138576091597583
Energy: 0.9493254182988895
Energy: 1.1138576091597583
Energy: 1.1735952328084862
Energy: 1.0474414454577134
Energy: 1.1735952328081765
Energy: 1.0474414454580234
Energy: 1.1735952328088586
Energy: 1.0474414454577134
Energy: 0.9651650912590071
Energy: 0.9313135496812747
Energy: 0.965165091257333
Energy: 0.9580205878318213
Energy: 0.9651650912566508
Energy: 0.9241708913087032
Energy: 0.9209598073714258
Energy: 1.0702988357488923
Energy: 0.9209598073721078
Energy: 1.0702988357492642
Energy: 0.9209598073711158
Energy: 1.070298835748582
Energy: 0.9036217891011465
Energy: 1.134213390239644
Energy: 0.9036217891004644
Energy: 1.134213390239334
Energy: 0.9036217891008365
Energy: 1.134213390239954
Energy: 1.1562237751037467
Energy: 0.8939465207606065
Energy: 1.1562237751040567
Energy: 0.8939465207612884
Energy: 1.1562237751033746
Energy: 0.8939465207609786
Energy: 0.9698080399406458
Energy: 0.9367937984074757
Energy: 0.9698080399410178
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Energy: 0.9698080399403357
Energy: 0.9367937984077859
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Energy: 1.0704410798183381
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Energy: 1.0704410798183381
Energy: 0.9176064133976369
Energy: 1.0704410798183381
Energy: 0.9243006223155334
Energy: 1.044669455858471
Energy: 0.9243006223141693
Energy: 1.0446694558580991
Energy: 0.9243006223141693
Energy: 1.044669455858471
Energy: 1.1580853673579237
Energy: 0.8946124593685421
Energy: 1.1580853673579237
Energy: 0.8946124593678602
Energy: 1.1580853673579237
Energy: 0.8946124593685421
Energy: 0.9227000844215362
Energy: 0.9127292813756904
Energy: 0.9227000844212262
Energy: 0.9387290653894172
Energy: 0.9227000844215362
Energy: 0.9198788800129977
Energy: 0.9817945982183618
Energy: 0.9458962543512888
Energy: 0.9817945982176798
Energy: 0.9458962543519709
Energy: 0.9817945982183618
Energy: 0.9458962543516608
Energy: 1.004007900522576
Energy: 0.8916237435985448
Energy: 1.004007900523568
Energy: 0.8916237435981729
Energy: 1.0040079005218938
Energy: 0.8916237435985448
Energy: 1.31031891788013
Energy: 0.9945908075719757
Energy: 1.3103189178794479
Energy: 0.9945908075716037
Energy: 1.3103189178797578
Energy: 0.9945908075726577
Energy: 1.0069338443991398
Energy: 0.9237628604799428
Energy: 1.0069338443991398
Energy: 0.9237628604809969
Energy: 1.0069338443991398
Energy: 0.9237628604803148
Energy: 0.9226378648809498
Energy: 0.9206914496506102
Energy: 0.9226378648809498
Energy: 0.9206914496499281
Energy: 0.9226378648809498
Energy: 0.9206914496503001
Energy: 0.9927734003668547
Energy: 0.9508174807934551
Energy: 0.9927734003651185
Energy: 0.9508174807941372
Energy: 0.9927734003637545
Energy: 0.9508174807944471
Energy: 0.9261846400749294
Energy: 0.9433564900274308
Energy: 0.9261846400742473
Energy: 0.9433564900270587
Energy: 0.9261846400735654
Energy: 0.9433564900267486
Energy: 0.8950323475060589
Energy: 1.0456309629528786
Energy: 0.8950323475056868
Energy: 1.0456309629525065
Energy: 0.8950323475053769
Energy: 1.0456309629528786
Energy: 0.8891748299991197
Energy: 0.9488947238136209
Energy: 0.8891748299991197
Energy: 0.9488947238136209
Energy: 0.8891748299984377
Energy: 0.9488947238139309
Energy: 1.0905134110908348
Energy: 0.8670419823106823
Energy: 1.090513411091207
Energy: 0.8670419823103724
Energy: 1.0905134110918888
Energy: 0.8670419823110543
Energy: 0.7728462587250384
Energy: 1.065979650755399
Energy: 0.7728462587240462
Energy: 1.065979650755399
Energy: 0.7728462587240462
Energy: 1.065979650755399
Energy: 0.9435914425203067
Energy: 1.0460699659124977
Energy: 0.9435914425196248
Energy: 1.0460699659121255
Energy: 0.9435914425212987
Energy: 1.0460699659121255
Energy: 0.99282846519217
Energy: 0.9796257198515508
Energy: 0.99282846519217
Energy: 0.9796257198518609
Energy: 0.99282846519217
Energy: 0.9796257198515508
Energy: 1.2259541663264417
Energy: 0.8173188489367833
Energy: 1.2259541663268139
Energy: 0.8173188489371551
Energy: 1.2259541663261315
Energy: 0.8173188489367833
Energy: 0.7865837176066439
Energy: 1.111948759898059
Energy: 0.7865837176062719
Energy: 1.111948759898741
Energy: 0.7865837176062719
Energy: 1.1119487598991131
Energy: 0.9557107917408467
Energy: 0.9637043717320986
Energy: 0.9557107917415287
Energy: 0.9637043717324086
Energy: 0.9557107917408467
Energy: 0.9637043717324086
Energy: 1.0802265489804737
Energy: 0.9423349467835224
Energy: 1.0802265489804737
Energy: 0.9423349467838323
Energy: 1.0802265489807836
Energy: 0.9423349467838323
Energy: 1.1600923721592067
Energy: 0.8292801972847992
Energy: 1.1600923721592067
Energy: 0.8292801972807068
Energy: 1.1600923721592067
Energy: 0.8292801972919916
Energy: 0.8641823484794767
Energy: 1.0588408055133933
Energy: 0.8641823484798488
Energy: 1.0588408055133933
Energy: 0.8641823484798488
Energy: 1.0588408055137655
Energy: 0.8833483092980792
Energy: 0.9122257049759865
Energy: 0.883348309297769
Energy: 0.9122257049756146
Energy: 0.8833483092980792
Energy: 0.9122257049756146
Energy: 0.9930083470569865
Energy: 0.9905093615366126
Energy: 0.9930083470569865
Energy: 0.9905093615366126
Energy: 0.9930083470566143
Energy: 0.9905093615366126
Energy: 0.9872180705495113
Energy: 1.01308395714274
Energy: 0.9872180705498835
Energy: 1.013083957143422
Energy: 0.9872180705498835
Energy: 1.013083957142058
Energy: 0.9166906919730712
Energy: 0.9940999726143647
Energy: 0.9166906919741252
Energy: 0.9940999726139925
Energy: 0.9166906919737532
Energy: 0.9940999726136825

minimum gb energy = 0.7728462587240462 eV
minimum distance =  2.29414831574097 Angstroms
sigma value = 81


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

Energy: 1.0249018038224746
Energy: 0.9426052678487357
Energy: 0.9804233317301309
Energy: 0.9426052678501398
Energy: 1.0249018038229427
Energy: 0.9426052678501398
Energy: 0.8923540777560852
Energy: 0.9548482719953951
Energy: 0.8923540777556173
Energy: 0.9548482719935228
Energy: 0.8923540777556173
Energy: 0.9548482719944589
Energy: 1.0185302418756275
Energy: 1.0290647310865522
Energy: 0.9855722818418134
Energy: 1.0290647310856158
Energy: 1.0185302418765634
Energy: 1.0290647310856158
Energy: 0.9054035831542319
Energy: 1.0235663416627994
Energy: 0.905403583155636
Energy: 1.0235663416632677
Energy: 0.9054035831546997
Energy: 1.0235663416637357
Energy: 0.8935825273845096
Energy: 0.8914787108235791
Energy: 0.8935825273845096
Energy: 0.8914787108231111
Energy: 0.8935825273845096
Energy: 0.8914787108231111
Energy: 0.9147160815224827
Energy: 0.9209959634227655
Energy: 0.9147160815220148
Energy: 0.9209959634222975
Energy: 0.9147160815215467
Energy: 0.9209959634222975
Energy: 0.990922090767177
Energy: 1.0885498321990787
Energy: 0.990956004511489
Energy: 1.0885498322000149
Energy: 0.990922090767177
Energy: 1.0885498322009508
Energy: 0.9800335434963352
Energy: 1.1839902744849407
Energy: 0.9800505516091095
Energy: 1.1839902744835364
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Energy: 1.037276746979291
Energy: 1.0042245101885972
Energy: 1.037276746979759
Energy: 1.004224510188129
Energy: 1.037276746980227
Energy: 1.0042245101876612
Energy: 0.8907562361174033
Energy: 1.3226023649927885
Energy: 0.8907562361178714
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Energy: 0.8907562361174033
Energy: 1.3226023649927885
Energy: 1.1057506618219441
Energy: 1.1928873415026828
Energy: 1.1057506618228803
Energy: 1.1928873415017467
Energy: 1.105750661821476
Energy: 1.1928873415017467
Energy: 0.9644692540247081
Energy: 0.881848881090925
Energy: 0.9644692540251761
Energy: 0.8818488810923293
Energy: 0.9644692540261123
Energy: 0.8818488810923293
Energy: 0.9019768896910307
Energy: 0.8967645562862296
Energy: 0.9019768896905627
Energy: 0.8967645562857615
Energy: 0.9019768896905627
Energy: 0.8967645562862296
Energy: 1.0009760616906602
Energy: 1.0685472359242314
Energy: 1.0009760616906602
Energy: 1.0685472359237633
Energy: 1.0009760616915964
Energy: 1.068547235923295
Energy: 1.1197471364568679
Energy: 0.8570860374094275
Energy: 1.119747136457336
Energy: 0.8570860374094275
Energy: 1.1197471364559317
Energy: 0.8570860374084912
Energy: 1.0841121847811401
Energy: 0.878456937670535
Energy: 1.084112184782076
Energy: 0.878456937670535
Energy: 1.084112184782076
Energy: 0.878456937670535
Energy: 0.9810532709744599
Energy: 0.9567019834973494
Energy: 0.9810532709735239
Energy: 0.9567019834964132
Energy: 0.981053270973992
Energy: 0.9567019834964132
Energy: 0.8437501227428804
Energy: 1.1005488815613367
Energy: 0.8232372557804799
Energy: 1.1005488815627409
Energy: 0.8437501227419443
Energy: 1.1005488815627409
Energy: 0.9802323237865497
Energy: 1.0381334066832282
Energy: 0.9802323237865497
Energy: 1.0381334066846326
Energy: 0.9802323237856136
Energy: 1.0381334066846326
Energy: 1.040177509237255
Energy: 1.0127307000946244
Energy: 1.040177509238191
Energy: 1.0127307000936883
Energy: 1.040177509238191
Energy: 1.0127307000936883
Energy: 0.9230869317514246
Energy: 0.896290355976763
Energy: 0.9230869317514246
Energy: 0.8962903559781672
Energy: 0.9230869317518927
Energy: 0.896290355976295
Energy: 0.9353270892766101
Energy: 0.9178563059396789
Energy: 0.888606381556352
Energy: 0.9178563059396789
Energy: 0.9353270892766101
Energy: 0.9178563059396789
Energy: 0.9929492637199464
Energy: 0.9387536113635303
Energy: 0.9428444186765397
Energy: 0.9387536113635303
Energy: 0.9929492637194786
Energy: 0.9387536113644664
Energy: 1.1705176036987026
Energy: 0.9094832178833547
Energy: 1.1705176036991707
Energy: 0.909483217884291
Energy: 1.1705176036987026
Energy: 0.909483217884291
Energy: 1.0036707876827788
Energy: 1.0320217365337367
Energy: 1.0036707876818427
Energy: 1.0320217365323328
Energy: 1.0036707876823108
Energy: 1.0320217365328008
Energy: 1.0069395385872935
Energy: 1.0706754959577387
Energy: 1.0069395385891657
Energy: 1.0706754959577387
Energy: 1.0069395385891657
Energy: 1.0706754959577387
Energy: 0.8210814067846852
Energy: 0.9601435200012177
Energy: 0.8210814067856215
Energy: 0.96014352000309
Energy: 0.8210814067860894
Energy: 0.9601435200026219
Energy: 1.0410279567857381
Energy: 0.9549340166172081
Energy: 1.0413792058636138
Energy: 0.9549340166167403
Energy: 1.0410279567857381
Energy: 0.9549340166162722
Energy: 0.9506806384328913
Energy: 0.8937848969454285
Energy: 0.9557163940266965
Energy: 0.8937848969449604
Energy: 0.950680638431955
Energy: 0.8937848969444924
Energy: 1.0397144774819647
Energy: 0.8689764785030557
Energy: 1.0397144774829008
Energy: 0.8689764785035239
Energy: 1.0397144774829008
Energy: 0.8689764785035239
Energy: 1.0197769204952747
Energy: 1.184014915526913
Energy: 1.0197769204962108
Energy: 1.1840149155255089
Energy: 1.0197769204962108
Energy: 1.184014915525977
Energy: 0.8859763138749005
Energy: 0.9021882988555021
Energy: 0.8859763138744324
Energy: 0.9021882988564384
Energy: 0.8859763138744324
Energy: 0.9021882988559703
Energy: 0.9645673989414154
Energy: 0.9488052567162554
Energy: 0.9645673989404795
Energy: 0.9488052567162554
Energy: 0.9645673989404795
Energy: 0.9488052567167233
Energy: 1.0598864117605458
Energy: 0.9890273979506422
Energy: 1.0598864117600777
Energy: 0.989027397949238
Energy: 1.0598864117600777
Energy: 0.989027397949238
Energy: 0.9182055208717452
Energy: 1.3361676893828072
Energy: 0.9182176978129132
Energy: 1.336167689381871
Energy: 0.918205520869873
Energy: 1.336167689381871
Energy: 1.0288273833538144
Energy: 1.0275365463059896
Energy: 1.0288273833533466
Energy: 1.0275365463064574
Energy: 1.0288273833533466
Energy: 1.0275365463064574
Energy: 0.948999025699844
Energy: 0.9283263229323349
Energy: 0.948999025699844
Energy: 0.9283263229323349
Energy: 0.94899902569844
Energy: 0.9283263229318668
Energy: 0.9784139956101638
Energy: 1.047280821642856
Energy: 0.9784139956096958
Energy: 1.047280821642856
Energy: 0.9784139956092277
Energy: 1.047280821642856

minimum gb energy = 0.8210814067846852 eV
minimum distance =  2.30322609120806 Angstroms
sigma value = 43


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

Energy: 1.101779584707225
Energy: 0.843413278166582
Energy: 1.101779584707225
Energy: 0.843413278166582
Energy: 1.1017795847077998
Energy: 0.843413278166582
Energy: 0.9926531659069588
Energy: 0.862072452196143
Energy: 0.9926531659069588
Energy: 0.862072452196143
Energy: 0.9926531659069588
Energy: 0.8620724521967181
Energy: 0.8800011650155227
Energy: 1.0817933137112647
Energy: 0.8800011650155227
Energy: 1.0817933137124145
Energy: 0.9009549382332817
Energy: 1.0817933137112647
Energy: 1.0194937408312852
Energy: 0.9135648860775921
Energy: 1.0194937408312852
Energy: 0.9135648860770172
Energy: 1.01949374083071
Energy: 0.9135648860775921
Energy: 0.9091550639652225
Energy: 0.9353942472405021
Energy: 0.9091550639646476
Energy: 0.9353942472410772
Energy: 0.9091550639652225
Energy: 0.9353942472405021
Energy: 0.9212133080477979
Energy: 1.0269631494536187
Energy: 0.921213308047223
Energy: 1.0269631494541938
Energy: 0.9212133080477979
Energy: 1.0269631494530438
Energy: 0.9629375037481581
Energy: 1.1421932546536169
Energy: 0.9629375037493079
Energy: 1.1421932546536169
Energy: 0.9629375037498827
Energy: 1.1421932546536169
Energy: 0.9628163044826481
Energy: 0.9304073295673899
Energy: 0.9628163044826481
Energy: 0.9304073295673899
Energy: 0.9628163044826481
Energy: 0.9304073295685397
Energy: 0.9680490677408502
Energy: 0.909941327428613
Energy: 0.9680490677402753
Energy: 0.909941327428613
Energy: 0.9680490677402753
Energy: 0.909941327428613
Energy: 0.9165352507457885
Energy: 1.0370998931726898
Energy: 0.9165352507452136
Energy: 1.0370998931726898
Energy: 0.9165352507452136
Energy: 1.0370998931726898
Energy: 1.095169012097384
Energy: 0.9718474281159168
Energy: 1.095169012097384
Energy: 0.971847428115342
Energy: 1.095169012097384
Energy: 0.971847428115342
Energy: 0.9425672607081054
Energy: 0.9515018030466575
Energy: 0.9425672607081054
Energy: 0.9515018030466575
Energy: 0.9425672607075304
Energy: 0.9515018030466575
Energy: 0.9154411698390444
Energy: 1.0523834134390924
Energy: 0.9154411698384696
Energy: 1.0523834134390924
Energy: 0.9154411698384696
Energy: 1.0523834134390924
Energy: 0.9173227014361546
Energy: 1.140263260494015
Energy: 0.9173227014367297
Energy: 1.140263260494015
Energy: 0.9173227014361546
Energy: 1.140263260494015
Energy: 0.978780098961993
Energy: 0.9646779299235191
Energy: 0.978780098961993
Energy: 0.9646779299229442
Energy: 0.9787800989625679
Energy: 0.9646779299229442
Energy: 0.9493479079110392
Energy: 0.929174192785138
Energy: 0.9493479079110392
Energy: 0.9291741927845631
Energy: 0.9493479079110392
Energy: 0.9291741927845631
Energy: 1.0155105873868515
Energy: 0.8679347237253775
Energy: 1.0155105873868515
Energy: 0.8679347237282521
Energy: 1.0155105873868515
Energy: 0.8679347237259524
Energy: 1.1891770495892018
Energy: 0.895674488767669
Energy: 1.1891770495892018
Energy: 0.8956744887693937
Energy: 1.1891770495897764
Energy: 0.8956744887688187
Energy: 1.19544167987908
Energy: 0.9302097261199395
Energy: 1.19544167987908
Energy: 0.9302097261199395
Energy: 1.195441679878505
Energy: 0.9302097261199395
Energy: 1.015711429760241
Energy: 0.9465705029951134
Energy: 1.015711429760241
Energy: 0.9465705029951134
Energy: 1.015711429760241
Energy: 0.9465705029951134
Energy: 0.9522850812173695
Energy: 0.9372812521029871
Energy: 0.9522850812167947
Energy: 0.9372812521029871
Energy: 0.9522850812173695
Energy: 0.9372812521029871
Energy: 1.056454782599772
Energy: 0.8932001537120002
Energy: 1.0564547825991972
Energy: 0.8932001537120002
Energy: 1.056454782599772
Energy: 0.8932001537120002
Energy: 0.9412086474591175
Energy: 1.0088851648938264
Energy: 0.9412086474591175
Energy: 1.0088851648938264
Energy: 0.9412086474591175
Energy: 1.0088851648938264
Energy: 0.951666500584818
Energy: 1.0541482346778492
Energy: 0.951666500584818
Energy: 1.0541482346778492
Energy: 0.951666500584818
Energy: 1.0541482346778492
Energy: 0.989759443879803
Energy: 0.9142159845708194
Energy: 0.9897594438792279
Energy: 0.9142159845708194
Energy: 0.9897594438792279
Energy: 0.9142159845708194
Energy: 1.0990944167791359
Energy: 0.9732724456082525
Energy: 1.0990944167791359
Energy: 0.9732724456082525
Energy: 1.0990944167791359
Energy: 0.9732724456082525
Energy: 0.9743144266690013
Energy: 1.0156321527424055
Energy: 0.9743144266690013
Energy: 1.0156321527424055
Energy: 0.9743144266690013
Energy: 1.0156321527424055
Energy: 0.9995443372501538
Energy: 0.9142128536755897
Energy: 0.9995443372495789
Energy: 0.9142128536755897
Energy: 0.9995443372495789
Energy: 0.9142128536755897
Energy: 0.9896082881722741
Energy: 0.9094084920820124
Energy: 0.9896082881722741
Energy: 0.9094084920814373
Energy: 0.989608288172849
Energy: 0.9094084920814373
Energy: 1.1014032458747953
Energy: 1.1001206406867658
Energy: 1.1014032458747953
Energy: 1.100120640686191
Energy: 1.1014032458747953
Energy: 1.1001206406867658
Energy: 0.9221310666831367
Energy: 1.016500459805748
Energy: 0.9221310666831367
Energy: 1.016500459806898
Energy: 0.9221310666831367
Energy: 1.016500459805748

minimum gb energy = 0.843413278166582 eV
minimum distance =  2.31161104173219 Angstroms
sigma value = 57


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

Energy: 1.0461513815927286
Energy: 0.7896985392700951
Energy: 1.046151381593473
Energy: 0.7896985392700951
Energy: 1.0461513815927286
Energy: 0.7896985392700951
Energy: 0.8423850904765204
Energy: 0.8333083321388858
Energy: 0.8423850904772648
Energy: 0.8333083321388858
Energy: 0.8423850904765204
Energy: 0.8333083321388858
Energy: 0.9085112630405495
Energy: 0.9443595988102674
Energy: 0.9085112630405495
Energy: 0.9443595988102674
Energy: 0.9085112630405495
Energy: 0.9443595988102674
Energy: 1.1509345435228864
Energy: 0.9452461283326855
Energy: 1.1509345435228864
Energy: 0.9452461283326855
Energy: 1.1509345435228864
Energy: 0.9452461283326855
Energy: 1.0615783258478786
Energy: 0.9453330890598751
Energy: 1.0615783258478786
Energy: 0.9453330890598751
Energy: 1.0615783258478786
Energy: 0.9453330890606195
Energy: 0.9484961301564793
Energy: 0.9397059546114049
Energy: 0.9484961301572238
Energy: 0.9397059546114049
Energy: 0.9484961301564793
Energy: 0.9397059546114049
Energy: 1.0069454435527176
Energy: 1.0260228341084663
Energy: 1.0069454435527176
Energy: 1.0260228341084663
Energy: 1.0069454435527176
Energy: 1.0260228341092108
Energy: 0.9760240493950983
Energy: 0.7901502591989411
Energy: 0.9760240493950983
Energy: 0.7901502591996855
Energy: 0.9760240493958429
Energy: 0.7901502591989411
Energy: 0.9606170134355695
Energy: 0.8284800529167915
Energy: 0.9606170134348251
Energy: 0.8284800529167915
Energy: 0.9606170134348251
Energy: 0.8284800529167915
Energy: 0.7352575096158166
Energy: 0.9791803300173066
Energy: 0.7352575096158166
Energy: 0.9791803300173066
Energy: 0.7352575096158166
Energy: 0.9791803300173066
Energy: 0.8670727034825044
Energy: 0.8739580627603215
Energy: 0.86707270348176
Energy: 0.8739580627610659
Energy: 0.86707270348176
Energy: 0.8739580627603215
Energy: 0.9838641487357622
Energy: 0.9921472770438652
Energy: 0.9838641487372511
Energy: 0.9921472770438652
Energy: 0.9838641487372511
Energy: 0.9921472770438652
Energy: 0.8830178004807491
Energy: 0.8282508568129917
Energy: 0.8830178004814935
Energy: 0.8282508568129917
Energy: 0.8830178004822379
Energy: 0.8282508568137361
Energy: 0.9149390749057611
Energy: 0.8555843100900327
Energy: 0.9149390749065055
Energy: 0.8555843100892883
Energy: 0.9149390749065055
Energy: 0.8555843100892883
Energy: 1.0117013592366146
Energy: 0.8286268675761918
Energy: 1.0117013592381034
Energy: 0.8286268675769362
Energy: 1.0117013592381034
Energy: 0.8286268675761918
Energy: 1.0492705816371735
Energy: 0.8173517567991972
Energy: 1.049270581637918
Energy: 0.8173517567991972
Energy: 1.0492705816371735
Energy: 0.8173517567999417
Energy: 0.7362397049590785
Energy: 0.8429633579425013
Energy: 0.7362397049598229
Energy: 0.8429633579432457
Energy: 0.7362397049590785
Energy: 0.8429633579432457
Energy: 0.8714013266554423
Energy: 0.8719836446931765
Energy: 0.8714013266554423
Energy: 0.8719836446924321
Energy: 0.8714013266561869
Energy: 0.8719836446924321
Energy: 0.7362824886200227
Energy: 0.8428789775042898
Energy: 0.7362824886207671
Energy: 0.8428789775050342
Energy: 0.7362824886200227
Energy: 0.8428789775057786
Energy: 1.0491106672340638
Energy: 0.8175542343291942
Energy: 1.0491106672333195
Energy: 0.8175542343291942
Energy: 1.0491106672340638
Energy: 0.8175542343291942
Energy: 1.011388113545513
Energy: 0.8284899562009899
Energy: 1.0113881135440241
Energy: 0.8284899562002457
Energy: 1.0113881135470018
Energy: 0.8284899562009899
Energy: 0.915007477568563
Energy: 0.8961237554732272
Energy: 0.9150074775678185
Energy: 0.8961237554732272
Energy: 0.915007477568563
Energy: 0.8961237554732272
Energy: 0.8829190041288891
Energy: 0.828073658933609
Energy: 0.8829190041296335
Energy: 0.8280736589350978
Energy: 0.8829190041296335
Energy: 0.828073658933609
Energy: 0.9838159118473762
Energy: 0.9919610237319306
Energy: 0.9838159118473762
Energy: 0.9919610237319306
Energy: 0.9838159118473762
Energy: 0.9919610237319306

minimum gb energy = 0.7352575096158166 eV
minimum distance =  2.33595210758533 Angstroms
sigma value = 17


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

Energy: 1.054025047553957
Energy: 0.7513347069048477
Energy: 1.054025047553957
Energy: 0.7513347069048477
Energy: 1.054025047553957
Energy: 0.7513347069037949
Energy: 0.8464768645419717
Energy: 0.911205266168075
Energy: 0.8464768645419717
Energy: 0.911205266168075
Energy: 0.8464768645419717
Energy: 0.911205266168075
Energy: 0.8304209943985223
Energy: 0.8532857019062204
Energy: 0.8304209943985223
Energy: 0.8532857019062204
Energy: 0.8304209943985223
Energy: 0.8532857019062204
Energy: 0.9838281980912548
Energy: 1.0152641086976115
Energy: 0.9838281980912548
Energy: 1.0152641086976115
Energy: 0.9838281980923076
Energy: 1.0152641086976115
Energy: 0.940387227957457
Energy: 0.9577756894819396
Energy: 0.940387227957457
Energy: 0.9577756894819396
Energy: 0.940387227957457
Energy: 0.9577756894819396
Energy: 0.9778250948286843
Energy: 0.8165447761656386
Energy: 0.9778250948286843
Energy: 0.8165447761645859
Energy: 0.9778250948286843
Energy: 0.8165447761656386
Energy: 0.8149181358136128
Energy: 0.7372719732647534
Energy: 0.8149181358136128
Energy: 0.7372719732658061
Energy: 0.8149181358136128
Energy: 0.7372719732647534
Energy: 0.9548676427519427
Energy: 0.9380936118714961
Energy: 0.9548676427519427
Energy: 0.9380936118704433
Energy: 0.9548676427519427
Energy: 0.9380936118704433
Energy: 0.8070904953834792
Energy: 0.983557979397365
Energy: 0.8070904953834792
Energy: 0.9835579793984178
Energy: 0.8070904953834792
Energy: 0.9835579793984178
Energy: 0.8955687306607697
Energy: 0.9049959311369586
Energy: 0.8955687306607697
Energy: 0.9049959311369586
Energy: 0.8955687306607697
Energy: 0.9049959311369586
Energy: 0.9000575266512778
Energy: 0.8325758830790276
Energy: 0.9000575266523305
Energy: 0.8325758830790276
Energy: 0.9000575266512778
Energy: 0.8325758830790276
Energy: 0.9235328185864888
Energy: 0.9974938948256122
Energy: 0.9235328185864888
Energy: 0.9974938948256122
Energy: 0.9235328185864888
Energy: 0.9974938948266651
Energy: 0.6829348098127455
Energy: 0.9376845838618231
Energy: 0.6829348098127455
Energy: 0.9376845838618231
Energy: 0.6829348098137982
Energy: 0.9376845838618231
Energy: 0.7724885392275346
Energy: 0.8274072647094263
Energy: 0.7724885392275346
Energy: 0.8274072647094263
Energy: 0.7724885392275346
Energy: 0.8274072647094263
Energy: 0.7905121254910267
Energy: 0.9436036499521707
Energy: 0.7905121254910267
Energy: 0.9436036499521707
Energy: 0.7905121254910267
Energy: 0.9436036499521707
Energy: 0.7883433360122724
Energy: 0.9538533889949634
Energy: 0.7883433360122724
Energy: 0.9538533889949634
Energy: 0.7883433360112195
Energy: 0.9538533889939106
Energy: 0.7710342197707649
Energy: 0.82715219293904
Energy: 0.7710342197718176
Energy: 0.82715219293904
Energy: 0.7710342197718176
Energy: 0.82715219293904

minimum gb energy = 0.6829348098127455 eV
minimum distance =  2.37774255394294 Angstroms
sigma value = 17


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

Energy: 1.0353257152339435
Energy: 0.6742870958456193
Energy: 1.0353257152335371
Energy: 0.6742870958435867
Energy: 1.0353257152339435
Energy: 0.6742870958443997
Energy: 0.8141170351272304
Energy: 0.7850768364070324
Energy: 0.8141170351276371
Energy: 0.7850768364066258
Energy: 0.8141170351276371
Energy: 0.7850768364070324
Energy: 0.7627915692765245
Energy: 0.8023402208888037
Energy: 0.7627915692761179
Energy: 0.8023402208892103
Energy: 0.7627915692765245
Energy: 0.8023402208892103
Energy: 0.9277294445804221
Energy: 0.7351507998755704
Energy: 0.9277294445804221
Energy: 0.7351507998747574
Energy: 0.9277294445804221
Energy: 0.7351507998739444
Energy: 0.9816741421910573
Energy: 0.7810916004570246
Energy: 0.981674142190651
Energy: 0.7810916004566182
Energy: 0.981674142190651
Energy: 0.7810916004562116
Energy: 0.7346836994120441
Energy: 0.7690308922004259
Energy: 0.7346836994116376
Energy: 0.7690308922004259
Energy: 0.7346836994120441
Energy: 0.7690308922000193
Energy: 0.8349470568242011
Energy: 0.7539579844673187
Energy: 0.8349470568242011
Energy: 0.7539579844677252
Energy: 0.8349470568237944
Energy: 0.7539579844673187
Energy: 0.8740191213563603
Energy: 0.8571067657411469
Energy: 0.8740191213563603
Energy: 0.8571067657411469
Energy: 0.8740191213567668
Energy: 0.8571067657411469
Energy: 0.8460014359796167
Energy: 0.826814981381822
Energy: 0.8460014359796167
Energy: 0.826814981381822
Energy: 0.8460014359792102
Energy: 0.826814981381822
Energy: 0.7977928899585068
Energy: 0.6751133860381442
Energy: 0.7977928899585068
Energy: 0.6751133860385508
Energy: 0.7977928899585068
Energy: 0.6751133860381442
Energy: 0.8991534041813646
Energy: 0.8368524408781431
Energy: 0.899153404180958
Energy: 0.8368524408777368
Energy: 0.8991534041797384
Energy: 0.8368524408781431
Energy: 0.7678050300834166
Energy: 0.9581596704667275
Energy: 0.7678050300830102
Energy: 0.9581596704663209
Energy: 0.7678050300826036
Energy: 0.9581596704663209
Energy: 0.8161261766521491
Energy: 0.8026505577118652
Energy: 0.8161261766525557
Energy: 0.8026505577118652
Energy: 0.8161261766525557
Energy: 0.8026505577114587
Energy: 0.9195279357616146
Energy: 0.7785085162481583
Energy: 0.9195279357620211
Energy: 0.7785085162485649
Energy: 0.9195279357616146
Energy: 0.7785085162481583
Energy: 0.8368252523406473
Energy: 0.9511050430337057
Energy: 0.8368252523406473
Energy: 0.9511050430337057
Energy: 0.8368252523406473
Energy: 0.9511050430332993
Energy: 0.7007880590985884
Energy: 0.850081600002248
Energy: 0.7007880590985884
Energy: 0.8500816000026545
Energy: 0.700788059098182
Energy: 0.8229456521348525
Energy: 0.7026339133051365
Energy: 0.7270897721164815
Energy: 0.702633913305543
Energy: 0.7270897721156685
Energy: 0.7026339133051365
Energy: 0.727089772116075
Energy: 0.8830574630176695
Energy: 0.9006920017355239
Energy: 0.8830574630172631
Energy: 0.9006920017355239
Energy: 0.8830574630176695
Energy: 0.9006920017351173
Energy: 0.7685874439893456
Energy: 0.8200773525406976
Energy: 0.7685874439893456
Energy: 0.8200773525411041
Energy: 0.7685874439893456
Energy: 0.8200773525411041
Energy: 0.7014389248926306
Energy: 0.7155192538322594
Energy: 0.7014389248922241
Energy: 0.730223023511736
Energy: 0.7014389248930372
Energy: 0.7058408676017044
Energy: 0.7685350487859324
Energy: 0.8198738640516364
Energy: 0.7685350487859324
Energy: 0.8198738640508234
Energy: 0.7685350487863389
Energy: 0.8198738640512299
Energy: 0.8829373670341386
Energy: 0.9006922565708587
Energy: 0.882937367034545
Energy: 0.9006922565712653
Energy: 0.8829373670349515
Energy: 0.9006922565708587
Energy: 0.7034034605349772
Energy: 0.7269319361378468
Energy: 0.7034034605353836
Energy: 0.7269319361382534
Energy: 0.7034034605349772
Energy: 0.7269319361378468
Energy: 0.7002358186039177
Energy: 0.875424594174238
Energy: 0.7002358186031046
Energy: 0.8754245941738314
Energy: 0.7002358186035113
Energy: 0.875424594174238
Energy: 0.8361249579642486
Energy: 0.9511055432302905
Energy: 0.8361249579609963
Energy: 0.9511055432306971
Energy: 0.8361249579614028
Energy: 0.9511055432306971
Energy: 0.91944291885015
Energy: 0.7784401480983583
Energy: 0.9194429188505565
Energy: 0.7784401480983583
Energy: 0.9194429188505565
Energy: 0.7784401480975452
Energy: 0.8342725326670903
Energy: 0.8024391281218375
Energy: 0.8342725326670903
Energy: 0.8024391281230571
Energy: 0.8342725326670903
Energy: 0.8024391281206179
Energy: 0.7679066708695688
Energy: 0.9582096800552886
Energy: 0.7679066708699754
Energy: 0.9582096800552886
Energy: 0.7679066708695688
Energy: 0.9582096800552886
Energy: 0.8991978941739888
Energy: 0.898446041527107
Energy: 0.8991978941743951
Energy: 0.898446041527107
Energy: 0.8991978941739888
Energy: 0.8984460415267006
Energy: 0.7976218922193224
Energy: 0.7704792679507406
Energy: 0.7976218922193224
Energy: 0.7704792679507406
Energy: 0.7976218922189158
Energy: 0.7704792679507406
Energy: 0.8461259741268817
Energy: 0.8266000990514388
Energy: 0.8461259741268817
Energy: 0.8266000990518454
Energy: 0.8461259741268817
Energy: 0.8266000990514388
Energy: 0.8740150047791244
Energy: 0.8570340980177086
Energy: 0.8740150047787179
Energy: 0.8570340980181149
Energy: 0.8740150047791244
Energy: 0.8570340980181149
Energy: 0.8355889221965261
Energy: 0.7540162899554915
Energy: 0.8355889221965261
Energy: 0.754016289955898
Energy: 0.8355889221969327
Energy: 0.7540162899554915
Energy: 0.7344605783914402
Energy: 0.7804070288964011
Energy: 0.7344605783914402
Energy: 0.780407028895588
Energy: 0.7344605783910337
Energy: 0.7804070288964011
Energy: 0.9817579232976086
Energy: 0.7811879303958306
Energy: 0.981757923297202
Energy: 0.7811879303966437
Energy: 0.9817579232976086
Energy: 0.7811879303970501
Energy: 0.9277104499922091
Energy: 0.7349121560678514
Energy: 0.9277104499918025
Energy: 0.7349121560678514
Energy: 0.9277104499922091
Energy: 0.7349121560678514
Energy: 0.7627211336084213
Energy: 0.8024824339011815
Energy: 0.7627211336084213
Energy: 0.8024824339011815
Energy: 0.7627211336088279
Energy: 0.802482433901588
Energy: 0.814166693358072
Energy: 0.7906968459495928
Energy: 0.8141666933576654
Energy: 0.7906968459495928
Energy: 0.8141666933576654
Energy: 0.7906968459487796
Energy: 1.0353257152347564
Energy: 0.6742870958443997
Energy: 1.0353257152347564
Energy: 0.6742870958435867
Energy: 1.03532571523435
Energy: 0.6742870958456193
Energy: 0.8141170351268239
Energy: 0.785076836408252
Energy: 0.8141170351268239
Energy: 0.7850768364086586
Energy: 0.8141170351272304
Energy: 0.785076836408252
Energy: 0.7627915692765245
Energy: 0.8023402208892103
Energy: 0.7627915692765245
Energy: 0.8023402208888037
Energy: 0.7627915692765245
Energy: 0.8023402208892103
Energy: 0.9277294445804221
Energy: 0.7514104600937557
Energy: 0.9277294445808286
Energy: 0.7514104600929427
Energy: 0.9277294445808286
Energy: 0.7514104600925361
Energy: 0.981674142190651
Energy: 0.7810916004562116
Energy: 0.981674142190651
Energy: 0.7810916004570246
Energy: 0.981674142190651
Energy: 0.7810916004566182

minimum gb energy = 0.6742870958435867 eV
minimum distance =  2.29617814370738 Angstroms
sigma value = 57


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

Energy: 0.9854187519680799
Energy: 0.6236313990398761
Energy: 0.9854187519680799
Energy: 0.6236313990398761
Energy: 0.9854187519680799
Energy: 0.6236313990398761
Energy: 0.7334435958328536
Energy: 0.7262559162444723
Energy: 0.7334435958321918
Energy: 0.7262559162438104
Energy: 0.7334435958328536
Energy: 0.7262559162444723
Energy: 0.7077234994665192
Energy: 0.7397039894635771
Energy: 0.7077234994665192
Energy: 0.7397039894635771
Energy: 0.7077234994665192
Energy: 0.7397039894635771
Energy: 0.8936255409048589
Energy: 0.6997419856366757
Energy: 0.8936255409055208
Energy: 0.6997419856373376
Energy: 0.8936255409055208
Energy: 0.6997419856373376
Energy: 0.8930225185201374
Energy: 0.7064083714285709
Energy: 0.8930225185194755
Energy: 0.7064083714265852
Energy: 0.8930225185194755
Energy: 0.706408371427909
Energy: 0.6888007704405923
Energy: 0.7107754437833228
Energy: 0.6888007704412542
Energy: 0.7107754437833228
Energy: 0.6888007704405923
Energy: 0.7107754437826609
Energy: 0.8429005922129146
Energy: 0.7807596631779354
Energy: 0.8429005922102668
Energy: 0.7807596631772734
Energy: 0.8429005922142384
Energy: 0.7807596631772734
Energy: 0.7957281523589937
Energy: 0.804998087487211
Energy: 0.7957281523589937
Energy: 0.804998087487211
Energy: 0.7957281523589937
Energy: 0.804998087486549
Energy: 0.7491393689648664
Energy: 0.7100037642044204
Energy: 0.7491393689648664
Energy: 0.7100037642050822
Energy: 0.7491393689648664
Energy: 0.7100037642050822
Energy: 0.7248380827668076
Energy: 0.6901799981322596
Energy: 0.7248380827661457
Energy: 0.6901799981329216
Energy: 0.7248380827661457
Energy: 0.6901799981322596
Energy: 0.8440663921687627
Energy: 0.8044412114953458
Energy: 0.8440663921687627
Energy: 0.8044412114940219
Energy: 0.8440663921687627
Energy: 0.8044412114953458
Energy: 0.6632260284010167
Energy: 0.8226176157059997
Energy: 0.6632260284010167
Energy: 0.8226176157059997
Energy: 0.6632260284016788
Energy: 0.8226176157059997
Energy: 0.7252674090770275
Energy: 0.7314228633341264
Energy: 0.7252674090776894
Energy: 0.7314228633341264
Energy: 0.7252674090770275
Energy: 0.7314228633347883
Energy: 0.8507716451611531
Energy: 0.7558891099087827
Energy: 0.8507716451604911
Energy: 0.7558891099094446
Energy: 0.8507716451611531
Energy: 0.7558891099101066
Energy: 0.7107564474683878
Energy: 0.9176297071650811
Energy: 0.7107564474683878
Energy: 0.9176297071657429
Energy: 0.7107564474677259
Energy: 0.9176297071657429
Energy: 0.7557251242821327
Energy: 0.7360373397927441
Energy: 0.7557251242827946
Energy: 0.7360373397927441
Energy: 0.7557251242827946
Energy: 0.7360373397927441
Energy: 0.859452315245331
Energy: 0.7230313188152909
Energy: 0.8594523152446691
Energy: 0.7230313188146291
Energy: 0.8594523152466548
Energy: 0.7230313188146291
Energy: 0.7432089952052229
Energy: 0.9158782205231891
Energy: 0.7432089952052229
Energy: 0.9158782205231891
Energy: 0.743208995204561
Energy: 0.9158782205225272
Energy: 0.7237159875176664
Energy: 0.7830401685481477
Energy: 0.7237159875183283
Energy: 0.7830401685474858
Energy: 0.7237159875176664
Energy: 0.7830401685474858
Energy: 0.8353218470437693
Energy: 0.6901377565759264
Energy: 0.8353218470437693
Energy: 0.6901377565759264
Energy: 0.8353218470437693
Energy: 0.6901377565759264
Energy: 0.7793583418419511
Energy: 0.8434885513897826
Energy: 0.7793583418419511
Energy: 0.8434885513904448
Energy: 0.7793583418419511
Energy: 0.8434885513904448
Energy: 0.6929368392167403
Energy: 0.7820562108879187
Energy: 0.6929368392160784
Energy: 0.7820562108885807
Energy: 0.6929368392160784
Energy: 0.7820562108885807
Energy: 0.647846243809226
Energy: 0.6602463889367381
Energy: 0.647846243809226
Energy: 0.6602463889360763
Energy: 0.647846243809888
Energy: 0.6602463889360763
Energy: 0.7113582062487089
Energy: 0.7821780074929817
Energy: 0.7113582062487089
Energy: 0.782178007490996
Energy: 0.711358206248047
Energy: 0.7821780074903341
Energy: 0.7281387368336232
Energy: 0.8240731711665346
Energy: 0.728138736834947
Energy: 0.8240731711658724
Energy: 0.7281387368362708
Energy: 0.8240731711665346
Energy: 0.7275218849804169
Energy: 0.6601809666195732
Energy: 0.727521884979755
Energy: 0.6601809666195732
Energy: 0.727521884979755
Energy: 0.6601809666195732
Energy: 0.6889519571703632
Energy: 0.7858517543139014
Energy: 0.6889519571703632
Energy: 0.7858517543125777
Energy: 0.6889519571697013
Energy: 0.7858517543119158

minimum gb energy = 0.6236313990398761 eV
minimum distance =  2.33134360716273 Angstroms
sigma value = 43


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

Energy: 0.9180276716551428
Energy: 0.5604809007372853
Energy: 0.9180276716546605
Energy: 0.5604809007368029
Energy: 0.9180276716551428
Energy: 0.5604809007368029
Energy: 0.6429000769885898
Energy: 0.6613614250015166
Energy: 0.6429000769885898
Energy: 0.6613614250019989
Energy: 0.6429000769885898
Energy: 0.6613614250015166
Energy: 0.6137284237061389
Energy: 0.662979887937802
Energy: 0.6137284237056566
Energy: 0.662979887937802
Energy: 0.6137284237051743
Energy: 0.662979887937802
Energy: 0.8458295102600866
Energy: 0.5960837213857407
Energy: 0.8458295102600866
Energy: 0.5960837213857407
Energy: 0.8458295102600866
Energy: 0.596083721386223
Energy: 0.7489602891180447
Energy: 0.7099521484846606
Energy: 0.7489602891180447
Energy: 0.7099521484841783
Energy: 0.7489602891180447
Energy: 0.7099521484846606
Energy: 0.5953830844895512
Energy: 0.6238236933967808
Energy: 0.5953830844895512
Energy: 0.6238236933962985
Energy: 0.5953830844895512
Energy: 0.6238236933962985
Energy: 0.7855005182673085
Energy: 0.6550348793202876
Energy: 0.7855005182673085
Energy: 0.6550348793207698
Energy: 0.7855005182673085
Energy: 0.6550348793202876
Energy: 0.7751920383209816
Energy: 0.6869111852996849
Energy: 0.7751920383209816
Energy: 0.6869111852996849
Energy: 0.7751920383209816
Energy: 0.6869111853001671
Energy: 0.5669035584975305
Energy: 0.615786555608415
Energy: 0.5669035584980128
Energy: 0.615786555608415
Energy: 0.5669035584980128
Energy: 0.615786555608415
Energy: 0.6269904796584624
Energy: 0.6329912950135312
Energy: 0.6269904796584624
Energy: 0.6329912950130488
Energy: 0.6269904796579802
Energy: 0.6329912950130488
Energy: 0.6954271293291534
Energy: 0.7114363055020734
Energy: 0.6954271293286711
Energy: 0.7114363055011089
Energy: 0.6954271293291534
Energy: 0.7114363055020734
Energy: 0.5354187864194523
Energy: 0.6146441725245397
Energy: 0.5354187864194523
Energy: 0.6146441725245397
Energy: 0.5354187864194523
Energy: 0.6146441725245397
Energy: 0.6267166942808325
Energy: 0.5281678302261531
Energy: 0.6267166942817971
Energy: 0.5281678302256708
Energy: 0.6267166942808325
Energy: 0.5281678302256708
Energy: 0.709869536051024
Energy: 0.7082527416400684
Energy: 0.709869536051024
Energy: 0.708252741639586
Energy: 0.7098695360515063
Energy: 0.7082527416405506
Energy: 0.6317408162707493
Energy: 0.6146011325122727
Energy: 0.6317408162707493
Energy: 0.6146011325098614
Energy: 0.6317408162707493
Energy: 0.6146011325108258
Energy: 0.642620677690916
Energy: 0.5975919097627724
Energy: 0.642620677690916
Energy: 0.5975919097627724
Energy: 0.6426206776904336
Energy: 0.5975919097627724
Energy: 0.7398393933865332
Energy: 0.7043147734299362
Energy: 0.7398393933865332
Energy: 0.7043147734304185
Energy: 0.7398393933870154
Energy: 0.7043147734304185
Energy: 0.5689694385529077
Energy: 0.7588252736361083
Energy: 0.5689694385529077
Energy: 0.7588252736361083
Energy: 0.5689694385529077
Energy: 0.7588252736361083
Energy: 0.6223613403074045
Energy: 0.6343486747108558
Energy: 0.622361340307843
Energy: 0.6343486747108558
Energy: 0.622361340307843
Energy: 0.6343486747108558
Energy: 0.7278290826411619
Energy: 0.7631460572937117
Energy: 0.7278290826411619
Energy: 0.7631460572937117
Energy: 0.7278290826411619
Energy: 0.7631460572937117
Energy: 0.6076249719837452
Energy: 0.8945054635193281
Energy: 0.6076249719837452
Energy: 0.8945054635193281
Energy: 0.6076249719837452
Energy: 0.8945054635188457
Energy: 0.6685157346086702
Energy: 0.6447804765688359
Energy: 0.6685157346086702
Energy: 0.6447804765678713
Energy: 0.6685157346077056
Energy: 0.6447804765688359
Energy: 0.7457463149646215
Energy: 0.6244701866290123
Energy: 0.7457463149646215
Energy: 0.62447018662853
Energy: 0.7457463149646215
Energy: 0.62447018662853
Energy: 0.6391337086283949
Energy: 0.893061014506001
Energy: 0.6391337086283949
Energy: 0.893061014506001
Energy: 0.6391337086283949
Energy: 0.893061014506001
Energy: 0.6331158142279312
Energy: 0.6496264793565746
Energy: 0.6331158142279312
Energy: 0.6496264793565746
Energy: 0.6331158142279312
Energy: 0.6496264793565746
Energy: 0.7000566874133477
Energy: 0.601961030689731
Energy: 0.7000566874133477
Energy: 0.601961030689731
Energy: 0.7000566874133477
Energy: 0.601961030689731
Energy: 0.576655171602024
Energy: 0.8285431770035359
Energy: 0.576655171602024
Energy: 0.8285431770035359
Energy: 0.576655171602024
Energy: 0.8285431770035359
Energy: 0.5927484819217292
Energy: 0.6312871460570165
Energy: 0.5927484819207647
Energy: 0.6312871460574987
Energy: 0.5927484819207647
Energy: 0.6312871460570165
Energy: 0.6112382002516954
Energy: 0.5649750127133794
Energy: 0.6112382002512131
Energy: 0.5649750127143439
Energy: 0.6112382002516954
Energy: 0.5649750127143439
Energy: 0.6286922627347146
Energy: 0.7689722285487132
Energy: 0.6286922627351968
Energy: 0.7689722285482309
Energy: 0.6286922627351968
Energy: 0.7689722285487132
Energy: 0.5834866678025236
Energy: 0.804113707663003
Energy: 0.5834866678030058
Energy: 0.804113707663003
Energy: 0.5834866678030058
Energy: 0.804113707663003
Energy: 0.6112575628296978
Energy: 0.5456373423286206
Energy: 0.6112575628296978
Energy: 0.5456373423286206
Energy: 0.6112575628301802
Energy: 0.5456373423286206
Energy: 0.5665092563680045
Energy: 0.6543906851385737
Energy: 0.5665092563684868
Energy: 0.6543906851395381
Energy: 0.5665092563684868
Energy: 0.6543906851385737
Energy: 0.6847437914243993
Energy: 0.7820539151409407
Energy: 0.6847437914253639
Energy: 0.7820539151409407
Energy: 0.6847437914248816
Energy: 0.782053915141423
Energy: 0.6102469049079853
Energy: 0.6083804828676491
Energy: 0.6102469049079853
Energy: 0.6083804828681315
Energy: 0.6102469049079853
Energy: 0.6083804828681315
Energy: 0.5546093406165623
Energy: 0.6074068314310327
Energy: 0.55460934061608
Energy: 0.6074068314310327
Energy: 0.55460934061608
Energy: 0.6074068314315151

minimum gb energy = 0.5281678302256708 eV
minimum distance =  2.33612900648049 Angstroms
sigma value = 81


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

Energy: 0.035426333676614914
Energy: 0.06747843187702458
Energy: 0.035426333676614914
Energy: 0.06747843187702458
Energy: 0.035426333676614914
Energy: 0.06747843187702458
Energy: 0.4350412741353335
Energy: 0.03605650149907797
Energy: 0.4350412741353335
Energy: 0.03605650139458846
Energy: 0.4350412741353335
Energy: 0.0360565016974651
Energy: 0.43506766280147474
Energy: 0.03596111612645817
Energy: 0.43506766280147474
Energy: 0.035961116085721556
Energy: 0.43506766280147474
Energy: 0.035961116105213915
Energy: 0.035426333676614914
Energy: 0.06747843187702458
Energy: 0.035426333676614914
Energy: 0.06747843187702458
Energy: 0.035426333676614914
Energy: 0.06747843187702458
Energy: 0.4350412741353335
Energy: 0.03605651319815906
Energy: 0.4350412741353335
Energy: 0.03605651305822888
Energy: 0.4350412741353335
Energy: 0.03605651304052868
Energy: 0.43506766280147474
Energy: 0.03596111768693438
Energy: 0.43506766280147474
Energy: 0.03596111769225049
Energy: 0.43506766280147474
Energy: 0.035961117639109634
Energy: 0.035426333676614914
Energy: 0.06747843187702458
Energy: 0.035426333676614914
Energy: 0.06747843187702458
Energy: 0.035426333676614914
Energy: 0.06747843187702458
Energy: 0.4350412741353335
Energy: 0.03605652697315637
Energy: 0.4350412741353335
Energy: 0.03605652713787487
Energy: 0.4350412741353335
Energy: 0.036056526957208075
Energy: 0.43506766280147474
Energy: 0.03596111953433894
Energy: 0.43506766280147474
Energy: 0.03596111943514537
Energy: 0.43506766280147474
Energy: 0.035961119475882
Energy: 0.035426333676614914
Energy: 0.06747843187702458
Energy: 0.035426333676614914
Energy: 0.06747843187702458
Energy: 0.035426333676614914
Energy: 0.06747843187702458

minimum gb energy = 0.035426333676614914 eV
minimum distance =  2.53124519444812 Angstroms
sigma value = 3


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

Energy: 0.8710049838072486
Energy: 0.5450256206600534
Energy: 0.871004983807779
Energy: 0.5450256206600534
Energy: 0.871004983807779
Energy: 0.5450256206600534
Energy: 0.5733793598589098
Energy: 0.638458804527884
Energy: 0.5733793598599702
Energy: 0.6384588045284142
Energy: 0.5733793598594399
Energy: 0.638458804527884
Energy: 0.6201345852265253
Energy: 0.6431555844284257
Energy: 0.6513388786894884
Energy: 0.643155584428956
Energy: 0.6389962537523893
Energy: 0.643155584428956
Energy: 0.7862390163800093
Energy: 0.5773894810516005
Energy: 0.7862390163805395
Energy: 0.5773894810516005
Energy: 0.7862390163800093
Energy: 0.5773894810516005
Energy: 0.6180373846020455
Energy: 0.6999682042063095
Energy: 0.6180373846020455
Energy: 0.6999682042068398
Energy: 0.6180373846020455
Energy: 0.6999682042063095
Energy: 0.5586527494465134
Energy: 0.6204943780151185
Energy: 0.5586527494465134
Energy: 0.6204943780151185
Energy: 0.5586527494470438
Energy: 0.6204943780151185
Energy: 0.7213425682658064
Energy: 0.6316200199793948
Energy: 0.7213425682658064
Energy: 0.6316200199793948
Energy: 0.7213425682658064
Energy: 0.6316200199793948
Energy: 0.6225807196743655
Energy: 0.6899358958825128
Energy: 0.6225807196743655
Energy: 0.6899358958825128
Energy: 0.6225807196748958
Energy: 0.6899358958825128
Energy: 0.6029507119309931
Energy: 0.6200182732068676
Energy: 0.6029507119309931
Energy: 0.6200182732068676
Energy: 0.6029507119309931
Energy: 0.6200182732068676
Energy: 0.7330950595813434
Energy: 0.6101136108798965
Energy: 0.733095059580813
Energy: 0.6101136108798965
Energy: 0.7330950595813434
Energy: 0.6101136108798965
Energy: 0.5980923149783969
Energy: 0.6269164657414473
Energy: 0.5980923149783969
Energy: 0.6269164657414473
Energy: 0.5980923149783969
Energy: 0.6269164657414473
Energy: 0.6328841343765531
Energy: 0.5883851986061028
Energy: 0.6328841343765531
Energy: 0.5883851986066332
Energy: 0.6328841343765531
Energy: 0.5883851986061028
Energy: 0.6463743340305312
Energy: 0.6017527447928598
Energy: 0.6463743340305312
Energy: 0.6017527447928598
Energy: 0.6463743340305312
Energy: 0.6017527447928598
Energy: 0.6071155546194419
Energy: 0.6793817984528201
Energy: 0.6071155546194419
Energy: 0.6793817984522899
Energy: 0.6071155546194419
Energy: 0.6793817984528201
Energy: 0.6230598171070674
Energy: 0.6221012727350398
Energy: 0.6230598171070674
Energy: 0.6221012727350398
Energy: 0.6230598171070674
Energy: 0.6221012727350398
Energy: 0.7056450699306034
Energy: 0.6136198686148598
Energy: 0.7056450699306034
Energy: 0.6136198686148598
Energy: 0.7056450699311336
Energy: 0.6136198686148598
Energy: 0.6104244595501958
Energy: 0.7351861941598338
Energy: 0.6104244595496655
Energy: 0.7351861941593036
Energy: 0.6104244595496655
Energy: 0.7351861941593036
Energy: 0.6416819987445983
Energy: 0.6053274048887477
Energy: 0.6416819987440682
Energy: 0.6053274048887477
Energy: 0.6416819987445983
Energy: 0.6053274048887477
Energy: 0.6418402334389194
Energy: 0.6024608414166466
Energy: 0.6418402334383893
Energy: 0.6024608414166466
Energy: 0.6418402334383893
Energy: 0.6024608414166466
Energy: 0.6184469074060798
Energy: 0.8127828407046284
Energy: 0.6184469074060798
Energy: 0.8127828407051586
Energy: 0.6184469074060798
Energy: 0.8127828407051586
Energy: 0.6139006678906733
Energy: 0.599513091082993
Energy: 0.6139006678906733
Energy: 0.5995130910819325
Energy: 0.6139006678906733
Energy: 0.5995130910824628
Energy: 0.6800744823642195
Energy: 0.6274730977318532
Energy: 0.6800744823636892
Energy: 0.6274730977318532
Energy: 0.6800744823642195
Energy: 0.627473097731323
Energy: 0.5940198923004703
Energy: 0.8143260468781646
Energy: 0.5940198923004703
Energy: 0.8143260468781646
Energy: 0.5940198923004703
Energy: 0.8143260468781646
Energy: 0.6539023928684775
Energy: 0.5865882494737552
Energy: 0.6539023928684775
Energy: 0.5865882494748158
Energy: 0.6539023928674169
Energy: 0.5865882494758763
Energy: 0.6317811752081071
Energy: 0.5786304081552744
Energy: 0.6317811752086373
Energy: 0.5786304081558046
Energy: 0.6317811752081071
Energy: 0.5786304081552744
Energy: 0.5686012471393708
Energy: 0.6654275428631373
Energy: 0.5686012471393708
Energy: 0.6654275428641979
Energy: 0.5686012471393708
Energy: 0.6654275428641979
Energy: 0.6499987336678655
Energy: 0.5601275220656915
Energy: 0.6499987336689262
Energy: 0.5601275220656915
Energy: 0.6499987336678655
Energy: 0.5601275220656915
Energy: 0.6495518572247261
Energy: 0.6021991129909111
Energy: 0.6495518572241956
Energy: 0.6021991129909111
Energy: 0.6495518572241956
Energy: 0.6021991129909111
Energy: 0.5406066295172968
Energy: 0.7642785779640529
Energy: 0.5406066295172968
Energy: 0.7642785779640529
Energy: 0.5406066295172968
Energy: 0.7642785779640529
Energy: 0.7410417779865628
Energy: 0.6110886642531677
Energy: 0.7410417779870931
Energy: 0.6110886642531677
Energy: 0.7410417779870931
Energy: 0.6110886642531677
Energy: 0.6762455861485547
Energy: 0.6092106596369636
Energy: 0.676245586149085
Energy: 0.6092106596369636
Energy: 0.6762455861485547
Energy: 0.6092106596369636
Energy: 0.65763113978464
Energy: 0.6269815292972495
Energy: 0.65763113978464
Energy: 0.6269815292967191
Energy: 0.65763113978464
Energy: 0.6269815292972495
Energy: 0.674538259338941
Energy: 0.6108711401233212
Energy: 0.6745382593384106
Energy: 0.6108711401233212
Energy: 0.674538259338941
Energy: 0.6108711401233212

minimum gb energy = 0.5406066295172968 eV
minimum distance =  2.37140653904255 Angstroms
sigma value = 67


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

Energy: 0.8952906107103097
Energy: 0.7048137116402796
Energy: 0.8952906107103097
Energy: 0.7048137116402796
Energy: 0.8952906107103097
Energy: 0.7048137116402796
Energy: 0.700959223352299
Energy: 0.7617133035413721
Energy: 0.700959223352299
Energy: 0.7617133035413721
Energy: 0.700959223352299
Energy: 0.7617133035413721
Energy: 0.7750968623512026
Energy: 0.7620339534183932
Energy: 0.7750968623512026
Energy: 0.7620339534183932
Energy: 0.8255715140168183
Energy: 0.7620339534183932
Energy: 0.8067135483781843
Energy: 0.6911864561177469
Energy: 0.8067135483781843
Energy: 0.6911864561177469
Energy: 0.8067135483781843
Energy: 0.6911864561177469
Energy: 0.7551827725373337
Energy: 0.7613110700129704
Energy: 0.7551827725373337
Energy: 0.7613110700122148
Energy: 0.7551827725373337
Energy: 0.7613110700129704
Energy: 0.7345553906087404
Energy: 0.7482690984730371
Energy: 0.7345553906087404
Energy: 0.7482690984730371
Energy: 0.7345553906087404
Energy: 0.7482690984730371
Energy: 0.8961396419057771
Energy: 0.7674555917552935
Energy: 0.8961396419057771
Energy: 0.7674555917552935
Energy: 0.8961396419057771
Energy: 0.767455591754538
Energy: 0.7364569538706053
Energy: 0.8645523426276118
Energy: 0.7364569538706053
Energy: 0.8645523426276118
Energy: 0.7364569538706053
Energy: 0.8645523426276118
Energy: 0.7977763070580651
Energy: 0.8113746726211426
Energy: 0.7977763070580651
Energy: 0.8113746726211426
Energy: 0.7977763070580651
Energy: 0.8113746726211426
Energy: 0.7406447187757546
Energy: 0.7623833694145661
Energy: 0.7406447187765102
Energy: 0.7623833694145661
Energy: 0.740644718774999
Energy: 0.7623833694145661
Energy: 0.7453290744522352
Energy: 0.789353874291966
Energy: 0.7453290744522352
Energy: 0.789353874291966
Energy: 0.7453290744522352
Energy: 0.789353874291966
Energy: 0.7390458237990442
Energy: 0.7678767764421919
Energy: 0.7390458237990442
Energy: 0.7678767764429475
Energy: 0.7390458237990442
Energy: 0.7678767764429475
Energy: 0.7402282247294317
Energy: 0.708667102174822
Energy: 0.7402282247294317
Energy: 0.708667102174822
Energy: 0.7402282247294317
Energy: 0.708667102174822
Energy: 0.7464724962178515
Energy: 0.8654833130849297
Energy: 0.7464724962178515
Energy: 0.8654833130849297
Energy: 0.7464724962178515
Energy: 0.8654833130849297
Energy: 0.7300465534365824
Energy: 0.7287755277738177
Energy: 0.7300465534365824
Energy: 0.7287755277738177
Energy: 0.7300465534365824
Energy: 0.7287755277738177
Energy: 0.7185631185868557
Energy: 0.7237009702699534
Energy: 0.7185631185876113
Energy: 0.7237009702691978
Energy: 0.7185631185868557
Energy: 0.7237009702691978
Energy: 0.7122226837441219
Energy: 0.8694225158066279
Energy: 0.7122226837441219
Energy: 0.8694225158073836
Energy: 0.7122226837441219
Energy: 0.8694225158066279
Energy: 0.7623801455069562
Energy: 0.6747888373880335
Energy: 0.7623801455069562
Energy: 0.6747888373880335
Energy: 0.7623801455062006
Energy: 0.6747888373880335
Energy: 0.8551829071778871
Energy: 0.766185409652077
Energy: 0.8551829071778871
Energy: 0.7661854096513214
Energy: 0.8551829071771316
Energy: 0.7661854096513214
Energy: 0.7937064398108284
Energy: 0.7672281002451116
Energy: 0.7937064398108284
Energy: 0.7672281002451116
Energy: 0.7937064398108284
Energy: 0.7672281002451116
Energy: 0.7463584753076397
Energy: 0.6907048914120694
Energy: 0.7463584753076397
Energy: 0.6907048914120694
Energy: 0.7463584753076397
Energy: 0.6907048914120694
Energy: 0.7653330559396702
Energy: 0.7992209256820657
Energy: 0.7653330559404258
Energy: 0.7992209256820657
Energy: 0.7653330559404258
Energy: 0.7992209256820657
Energy: 0.6384359381377581
Energy: 0.7762437182637122
Energy: 0.6384359381385137
Energy: 0.7762437182637122
Energy: 0.6384359381385137
Energy: 0.7762437182637122

minimum gb energy = 0.6384359381377581 eV
minimum distance =  2.34080476827226 Angstroms
sigma value = 33


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

Energy: 0.9368021869668566
Energy: 0.7535498217384347
Energy: 0.936802186967336
Energy: 0.7535498217379554
Energy: 0.9368021869668566
Energy: 0.7535498217379554
Energy: 0.77788983737003
Energy: 0.8458510719877533
Energy: 0.77788983737003
Energy: 0.845851071987274
Energy: 0.77788983737003
Energy: 0.8458510719877533
Energy: 0.8471031286975643
Energy: 0.8348876380523879
Energy: 0.8471031286970849
Energy: 0.8348876380523879
Energy: 0.8471031286970849
Energy: 0.8348876380523879
Energy: 0.8429353454865053
Energy: 0.7598534320953619
Energy: 0.8429353454865053
Energy: 0.7598534320948825
Energy: 0.8429353454865053
Energy: 0.7598534320948825
Energy: 0.869370822650503
Energy: 0.866298025804454
Energy: 0.8693708226500237
Energy: 0.866298025804454
Energy: 0.869370822650503
Energy: 0.866298025804454
Energy: 0.9346739022257758
Energy: 0.8408401526705461
Energy: 0.9346739022262552
Energy: 0.8408401526705461
Energy: 0.9346739022257758
Energy: 0.8565539822911578
Energy: 0.7800191154215795
Energy: 0.8666068513591914
Energy: 0.7800191154215795
Energy: 0.8666068513591914
Energy: 0.7800191154220588
Energy: 0.8666068513591914
Energy: 0.834751324631826
Energy: 0.8352235420592709
Energy: 0.8347513246313467
Energy: 0.8352235420592709
Energy: 0.834751324631826
Energy: 0.8352235420592709
Energy: 0.8307399524421318
Energy: 0.847868380351095
Energy: 0.8307399524426111
Energy: 0.847868380351095
Energy: 0.8307399524426111
Energy: 0.847868380351095
Energy: 0.8928452409554042
Energy: 0.7947161698951918
Energy: 0.8928452409558836
Energy: 0.8253340814661114
Energy: 0.8928452409554042
Energy: 0.8074066891097817
Energy: 0.8218022370449722
Energy: 0.906033039510733
Energy: 0.8218022370449722
Energy: 0.906033039510733
Energy: 0.8218022370449722
Energy: 0.9060330395112124
Energy: 0.7776437964602032
Energy: 0.7871346941784486
Energy: 0.7776437964602032
Energy: 0.7871346941779692
Energy: 0.7776437964597239
Energy: 0.7871346941779692
Energy: 0.9345102357093247
Energy: 0.7912280207655803
Energy: 0.9345102357088453
Energy: 0.7912280207651009
Energy: 0.9345102357093247
Energy: 0.7912280207655803
Energy: 0.802852098410329
Energy: 0.8319607881246125
Energy: 0.802852098410329
Energy: 0.8319607881236538
Energy: 0.802852098410329
Energy: 0.8319607881250919
Energy: 0.8191446509982744
Energy: 0.8071773157034989
Energy: 0.8191446509982744
Energy: 0.8071773157034989
Energy: 0.8191446509982744
Energy: 0.8071773157034989
Energy: 0.8427791958931861
Energy: 0.8569701918076748
Energy: 0.8427791958936653
Energy: 0.8569701918076748
Energy: 0.8427791958936653
Energy: 0.8569701918071955
Energy: 0.8558506826904828
Energy: 0.8369905922647844
Energy: 0.8558506826904828
Energy: 0.8369905922647844
Energy: 0.8558506826900034
Energy: 0.8369905922652637
Energy: 0.8771371834700202
Energy: 0.8903052742361899
Energy: 0.8771371834700202
Energy: 0.890305274236669
Energy: 0.8771371834704995
Energy: 0.8903052742361899
Energy: 0.7801180528925286
Energy: 0.8910917820885714
Energy: 0.7801180528925286
Energy: 0.8910917820885714
Energy: 0.7801180528925286
Energy: 0.8910917820885714
Energy: 0.8794299106720186
Energy: 0.8668743164870126
Energy: 0.8794299106724981
Energy: 0.8668743164874919
Energy: 0.8794299106720186
Energy: 0.8668743164870126
Energy: 0.8753239520298449
Energy: 0.8441648843456562
Energy: 0.8753239520298449
Energy: 0.8441648843451769
Energy: 0.8753239520293655
Energy: 0.8441648843451769
Energy: 0.8196186242724814
Energy: 0.7641831179067422
Energy: 0.8196186242720022
Energy: 0.7641831179067422
Energy: 0.8196186242724814
Energy: 0.7641831179067422
Energy: 0.782729620468612
Energy: 0.9060643872184045
Energy: 0.782729620468612
Energy: 0.9060643872179253
Energy: 0.782729620468612
Energy: 0.9060643872179253
Energy: 0.8824882476155729
Energy: 0.8063483932797946
Energy: 0.8824882476150935
Energy: 0.806348393280274
Energy: 0.8824882476150935
Energy: 0.806348393280274
Energy: 0.7775324894795471
Energy: 0.7851215172889902
Energy: 0.7775324894800265
Energy: 0.7851215172889902
Energy: 0.7775324894800265
Energy: 0.7851215172889902
Energy: 0.7828844307355697
Energy: 0.9090428267211956
Energy: 0.7828844307355697
Energy: 0.9090428267211956
Energy: 0.7828844307355697
Energy: 0.9090428267211956
Energy: 0.7796050724784419
Energy: 0.7617192867397526
Energy: 0.7796050724789213
Energy: 0.7617192867397526
Energy: 0.7796050724784419
Energy: 0.7617192867397526
Energy: 0.8872204854508703
Energy: 0.9112772664797253
Energy: 0.8872204854503909
Energy: 0.9112772664802047
Energy: 0.8872204854503909
Energy: 0.9112772664802047
Energy: 0.8811602231727537
Energy: 0.9893546236177703
Energy: 0.8811602231727537
Energy: 0.9893546236177703
Energy: 0.8811602231727537
Energy: 0.9893546236177703
Energy: 0.7806143054598863
Energy: 0.8103236962830831
Energy: 0.7806143054603657
Energy: 0.8103236962830831
Energy: 0.780614305459407
Energy: 0.8103236962830831
Energy: 0.9179916364869848
Energy: 0.90934096579529
Energy: 0.9179916364869848
Energy: 0.90934096579529
Energy: 0.9179916364869848
Energy: 0.90934096579529
Energy: 0.8681127939487945
Energy: 0.8677284031600311
Energy: 0.8681127939492739
Energy: 0.8677284031595518
Energy: 0.8681127939487945
Energy: 0.8677284031595518
Energy: 0.8405681933593597
Energy: 0.8431876642521139
Energy: 0.8405681933593597
Energy: 0.8431876642521139
Energy: 0.8405681933593597
Energy: 0.8431876642521139
Energy: 0.8199492894420489
Energy: 0.845755355022898
Energy: 0.8199492894420489
Energy: 0.8457553550224188
Energy: 0.8199492894420489
Energy: 0.8457553550224188
Energy: 0.8049920094382907
Energy: 0.8336222212735309
Energy: 0.80499200943877
Energy: 0.8336222212735309
Energy: 0.8049920094382907
Energy: 0.8336222212735309
Energy: 0.9380981061858884
Energy: 0.7905882832384822
Energy: 0.9380981061854091
Energy: 0.7905882832384822
Energy: 0.9380981061854091
Energy: 0.7905882832384822
Energy: 0.7801307642684696
Energy: 0.8269759913121815
Energy: 0.7801307642684696
Energy: 0.8269759913126608
Energy: 0.7801307642689489
Energy: 0.8269759913126608

minimum gb energy = 0.7535498217379554 eV
minimum distance =  2.35093087382088 Angstroms
sigma value = 41


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

Energy: 0.9812472617488087
Energy: 0.8615193116878891
Energy: 0.9812472617488087
Energy: 0.8615193116878891
Energy: 0.9812472617488087
Energy: 0.8615193116878891
Energy: 0.8640236111187031
Energy: 0.939822231831726
Energy: 0.8640236111187031
Energy: 0.939822231831726
Energy: 0.8640236111187031
Energy: 0.939822231831726
Energy: 1.0417156095643474
Energy: 0.9591260215716574
Energy: 1.1626060972295624
Energy: 0.9591260215716574
Energy: 1.0288126422496575
Energy: 0.9591260215716574
Energy: 0.970954559517542
Energy: 0.9488484888762676
Energy: 0.970954559517542
Energy: 0.9488484888762676
Energy: 0.970954559517542
Energy: 0.9488484888762676
Energy: 0.9413827507226993
Energy: 0.9485550236902659
Energy: 0.9413827507226993
Energy: 0.9485550236902659
Energy: 0.9413827507226993
Energy: 0.9485550236902659
Energy: 1.078059094562433
Energy: 0.9887142492593378
Energy: 1.0780590945637418
Energy: 0.9887142492593378
Energy: 1.078059094562433
Energy: 0.9887142492593378
Energy: 0.9687372216647945
Energy: 0.8779356851583422
Energy: 0.9687372216647945
Energy: 0.8779356851583422
Energy: 0.9687372216647945
Energy: 0.8779356851583422
Energy: 0.9322202689263891
Energy: 0.9596120147352706
Energy: 0.9322202689250804
Energy: 0.9596120147352706
Energy: 0.9322202689250804
Energy: 0.9596120147352706
Energy: 0.8659065461822532
Energy: 0.8881338879538496
Energy: 0.8659065461822532
Energy: 0.8881338879538496
Energy: 0.8659065461822532
Energy: 0.8881338879538496
Energy: 1.0259826306817244
Energy: 0.8870964042619551
Energy: 1.0259826306817244
Energy: 0.8870964042619551
Energy: 1.0259826306817244
Energy: 0.8870964042619551
Energy: 0.9357944565081858
Energy: 0.9594704952884268
Energy: 0.9357944565081858
Energy: 0.9594704952871179
Energy: 0.9357944565081858
Energy: 0.9594704952884268
Energy: 0.9553967072020425
Energy: 0.9288237709265711
Energy: 0.9553967072020425
Energy: 0.9288237709265711
Energy: 0.9553967072020425
Energy: 0.9288237709265711
Energy: 0.9340147290290723
Energy: 0.9501900706219093
Energy: 0.9340147290290723
Energy: 0.9501900706219093
Energy: 0.9340147290290723
Energy: 0.9501900706219093
Energy: 0.9385200745813802
Energy: 0.939673029741032
Energy: 0.938520074582689
Energy: 0.939673029741032
Energy: 0.938520074582689
Energy: 0.939673029741032

minimum gb energy = 0.8615193116878891 eV
minimum distance =  2.31704757156739 Angstroms
sigma value = 11


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

Energy: 1.1338057377047004
Energy: 1.0446996299493618
Energy: 1.1338057377047004
Energy: 1.0446996299493618
Energy: 1.1338057377047004
Energy: 1.044699629949937
Energy: 1.0688247666388675
Energy: 1.0631434541285048
Energy: 1.0688247666388675
Energy: 1.0631434541285048
Energy: 1.0688247666382928
Energy: 1.0631434541285048
Energy: 1.0810755129873477
Energy: 1.0712302493426056
Energy: 1.0810755129873477
Energy: 1.0712302493426056
Energy: 1.0810755129873477
Energy: 1.0712302493426056
Energy: 1.0584799405237733
Energy: 0.9378988114514576
Energy: 1.0584799405231984
Energy: 0.9378988114514576
Energy: 1.0584799405237733
Energy: 0.9378988114514576
Energy: 1.0515009281651337
Energy: 1.0091149031201274
Energy: 1.0515009281657086
Energy: 1.0091149031201274
Energy: 1.0515009281651337
Energy: 1.0091149031195525
Energy: 0.9863319086841056
Energy: 1.024701884614773
Energy: 0.9863319086841056
Energy: 1.024701884614198
Energy: 0.9863319086841056
Energy: 1.024701884614773
Energy: 1.108737755633293
Energy: 1.0084148762758363
Energy: 1.1087377556327178
Energy: 1.0084148762758363
Energy: 1.1087377556327178
Energy: 1.0084148762758363
Energy: 1.0533770466819092
Energy: 1.0460296789294454
Energy: 1.0533770466819092
Energy: 1.0460296789300203
Energy: 1.0533770466819092
Energy: 1.0460296789294454
Energy: 1.0181396973826582
Energy: 1.051956461338495
Energy: 1.0181396973826582
Energy: 1.051956461338495
Energy: 1.0181396973826582
Energy: 1.051956461338495
Energy: 1.00867113951828
Energy: 1.0036562158950368
Energy: 1.00867113951828
Energy: 1.0036562158950368
Energy: 1.00867113951828
Energy: 1.0036562158950368
Energy: 0.9813477189834009
Energy: 1.0898083245432753
Energy: 0.9813477189834009
Energy: 1.0898083245427004
Energy: 0.9813477189834009
Energy: 1.0898083245432753
Energy: 1.0480890152003026
Energy: 1.0422368597471556
Energy: 1.0480890152003026
Energy: 1.0422368597471556
Energy: 1.0480890152003026
Energy: 1.0422368597471556
Energy: 1.1066957808503572
Energy: 1.0148772018531969
Energy: 1.1066957808474824
Energy: 1.0148772018531969
Energy: 1.1066957808417333
Energy: 1.0148772018531969
Energy: 1.0149562338297136
Energy: 1.0786943404748877
Energy: 1.0149562338302884
Energy: 1.0786943404754625
Energy: 1.0149562338297136
Energy: 1.0786943404754625
Energy: 0.9426043864804968
Energy: 1.0088737009228166
Energy: 0.9426043864799217
Energy: 1.0088737009233915
Energy: 0.9899198487395396
Energy: 1.0088737009228166
Energy: 1.0429248635028854
Energy: 1.0389415724645046
Energy: 1.0429248635023107
Energy: 1.0389415724639293
Energy: 1.0429248635028854
Energy: 1.0389415724639293
Energy: 0.944317487321385
Energy: 1.1759529367961878
Energy: 0.944317487321385
Energy: 1.1759529367961878
Energy: 0.944317487321385
Energy: 1.1759529367961878
Energy: 1.1124602087407407
Energy: 1.1013420626116783
Energy: 1.1124602087407407
Energy: 1.1013420626122532
Energy: 1.1124602087401658
Energy: 1.1013420626122532
Energy: 1.071411847078629
Energy: 0.9432443118249175
Energy: 1.071411847078629
Energy: 0.9432443118249175
Energy: 1.071411847078629
Energy: 0.9432443118249175
Energy: 1.043413900153569
Energy: 1.028312611373501
Energy: 1.043413900153569
Energy: 1.028312611373501
Energy: 1.043413900153569
Energy: 1.028312611373501
Energy: 0.9951719015474663
Energy: 0.9698031664671901
Energy: 0.9951719015468914
Energy: 0.9698031664671901
Energy: 0.9951719015468914
Energy: 0.9698031664671901
Energy: 1.0900188894440033
Energy: 1.0700482850024156
Energy: 1.0900188894440033
Energy: 1.0700482850024156
Energy: 1.0900188894440033
Energy: 1.0700482850024156
Energy: 1.0377031701760906
Energy: 1.0331467668768306
Energy: 1.0377031701760906
Energy: 1.0331467668762555
Energy: 1.0377031701755157
Energy: 1.0331467668751055
Energy: 1.0634264474986772
Energy: 1.0462346535209637
Energy: 1.0634264474986772
Energy: 1.0462346535203886
Energy: 1.0634264474986772
Energy: 1.0462346535209637
Energy: 0.9970881107826176
Energy: 0.9912567889597576
Energy: 0.9970881107820427
Energy: 0.9912567889597576
Energy: 0.9970881107826176
Energy: 0.9912567889597576
Energy: 0.9590223594669376
Energy: 1.0839193430416352
Energy: 0.9590223594669376
Energy: 1.0839193430416352
Energy: 0.9590223594669376
Energy: 1.0839193430416352
Energy: 1.0401482145892578
Energy: 1.0729668741236136
Energy: 1.0401482145892578
Energy: 1.0729668741241885
Energy: 1.0401482145892578
Energy: 1.0729668741236136
Energy: 1.0789335993826885
Energy: 1.03961132857453
Energy: 1.0789335993826885
Energy: 1.03961132857453
Energy: 1.0789335993826885
Energy: 1.03961132857453
Energy: 1.002369515517052
Energy: 1.0933306219471168
Energy: 1.002369515517052
Energy: 1.093330621947692
Energy: 1.002369515517052
Energy: 1.0933306219471168
Energy: 0.982806399622364
Energy: 0.9280999952277114
Energy: 0.982806399622364
Energy: 0.9280999952277114
Energy: 0.982806399622364
Energy: 0.9280999952277114
Energy: 1.0577154393456363
Energy: 1.0776091397302114
Energy: 1.0577154393456363
Energy: 1.0776091397307863
Energy: 1.0577154393462112
Energy: 1.0776091397307863

minimum gb energy = 0.9280999952277114 eV
minimum distance =  2.33485884457535 Angstroms
sigma value = 57


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

Energy: 1.0255856127229033
Energy: 0.9137283361452053
Energy: 1.0255856127229033
Energy: 0.9137283361452053
Energy: 1.0255856127229033
Energy: 0.9137283361452053
Energy: 1.0239070356170803
Energy: 1.028453618633845
Energy: 1.0239070356170803
Energy: 1.028453618633845
Energy: 1.0239070356170803
Energy: 1.028453618633845
Energy: 1.0866034799726338
Energy: 0.9539782848991709
Energy: 1.086603479973657
Energy: 0.9539782848991709
Energy: 1.0866034799726338
Energy: 0.9539782848991709
Energy: 1.0625636502091222
Energy: 1.0773680027582584
Energy: 1.0625636502091222
Energy: 1.2306832652047888
Energy: 1.0625636502091222
Energy: 0.9816548128262184
Energy: 1.0866085801791159
Energy: 0.9539975760576895
Energy: 1.0866085801791159
Energy: 0.9539975760576895
Energy: 1.0866085801791159
Energy: 0.9539975760576895
Energy: 1.023874379899457
Energy: 0.988183898829959
Energy: 1.023874379899457
Energy: 1.0023003433958309
Energy: 1.023874379899457
Energy: 0.9192935810519
Energy: 1.0255856127229033
Energy: 0.9137283361452053
Energy: 1.0255856127229033
Energy: 0.9137283361452053
Energy: 1.0255856127229033
Energy: 0.9137283361452053
Energy: 1.0239070356170803
Energy: 1.028453618634868
Energy: 1.0239070356170803
Energy: 1.028453618634868
Energy: 1.0239070356170803
Energy: 1.028453618633845
Energy: 1.0866034799726338
Energy: 0.9539782848991709
Energy: 1.0866034799726338
Energy: 0.9539782848991709
Energy: 1.086603479973657
Energy: 0.9539782848991709
Energy: 1.0625636502091222
Energy: 1.0127685246208304
Energy: 1.0625636502091222
Energy: 1.171489795329103
Energy: 1.0625636502091222
Energy: 1.3425126673107133
Energy: 1.0866085801801388
Energy: 0.9539975760576895
Energy: 1.0866085801801388
Energy: 0.9539975760576895
Energy: 1.0866085801801388
Energy: 0.9539975760576895
Energy: 1.023874379901503
Energy: 0.919293581050877
Energy: 1.02387437990048
Energy: 0.919293581050877
Energy: 1.02387437990048
Energy: 0.919293581050877
Energy: 1.0255856127229033
Energy: 0.9137283361452053
Energy: 1.0255856127229033
Energy: 0.9137283361452053
Energy: 1.0255856127229033
Energy: 0.9137283361452053
Energy: 1.0239070356170803
Energy: 1.028453618633845
Energy: 1.0239070356170803
Energy: 1.028453618633845
Energy: 1.0239070356170803
Energy: 1.028453618633845
Energy: 1.0866034799726338
Energy: 0.9539782848991709
Energy: 1.0866034799726338
Energy: 0.9539782848991709
Energy: 1.0866034799726338
Energy: 0.9539782848991709
Energy: 1.0625636502101452
Energy: 1.0127685246208304
Energy: 1.0625636502091222
Energy: 1.171489795329103
Energy: 1.0625636502091222
Energy: 1.34251266730969
Energy: 1.0866085801791159
Energy: 0.9539975760566666
Energy: 1.0866085801791159
Energy: 0.9539975760576895
Energy: 1.0866085801791159
Energy: 0.9539975760576895

minimum gb energy = 0.9137283361452053 eV
minimum distance =  2.34381654875337 Angstroms
sigma value = 9


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

Energy: 1.0429621029780822
Energy: 1.0798098229740645
Energy: 1.0429621029780822
Energy: 1.0798098229749
Energy: 1.0429621029780822
Energy: 1.0798098229740645
Energy: 1.060713692979752
Energy: 1.0535430777857304
Energy: 1.060713692979752
Energy: 1.0535430777815538
Energy: 1.060713692979752
Energy: 1.0535430777857304
Energy: 1.0224390636169531
Energy: 1.049490220043823
Energy: 1.0989952831494467
Energy: 1.049490220043823
Energy: 1.123879258175101
Energy: 1.049490220043823
Energy: 1.0499031035776287
Energy: 1.1010208788785336
Energy: 1.0499031035776287
Energy: 1.1010208788785336
Energy: 1.0499031035776287
Energy: 1.1010208788793687
Energy: 1.078742962655731
Energy: 1.069048768320989
Energy: 1.078742962655731
Energy: 1.069048768320989
Energy: 1.078742962655731
Energy: 1.069048768320989
Energy: 1.0228145746532324
Energy: 1.002505644253905
Energy: 1.0228145746532324
Energy: 1.0025056442530698
Energy: 1.0228145746532324
Energy: 1.0025056442522344
Energy: 0.9897368192186881
Energy: 1.0412692452553758
Energy: 0.9897368192178525
Energy: 1.041269245256211
Energy: 0.9897368192178525
Energy: 1.0412692452545402
Energy: 1.0226619416269525
Energy: 1.0399403413634203
Energy: 1.0226619416269525
Energy: 1.0399403413634203
Energy: 1.0226619416269525
Energy: 1.0399403413634203
Energy: 1.1970134132571384
Energy: 1.067968075185691
Energy: 1.1970134132571384
Energy: 1.067968075184856
Energy: 1.1970134132579735
Energy: 1.067968075185691
Energy: 1.0263788709070405
Energy: 1.0270069807247189
Energy: 1.0263788709070405
Energy: 1.0270069807247189
Energy: 1.0263788709062054
Energy: 1.0270069807247189
Energy: 1.0230735078566657
Energy: 1.0664616540935608
Energy: 1.0230735078566657
Energy: 1.0664616540935608
Energy: 1.0230735078566657
Energy: 1.0664616540935608
Energy: 1.077237953732348
Energy: 1.0369341417798128
Energy: 1.077237953732348
Energy: 1.0369341417798128
Energy: 1.077237953732348
Energy: 1.0369341417798128
Energy: 1.0137533327237374
Energy: 1.2055268044915042
Energy: 1.0137533327237374
Energy: 1.2055268044915042
Energy: 1.0137533327237374
Energy: 1.2055268044915042
Energy: 1.0167092875980401
Energy: 1.0840759714530663
Energy: 1.0167092875988755
Energy: 1.0840759714530663
Energy: 1.0167092875980401
Energy: 1.0840759714530663
Energy: 1.0849557439567934
Energy: 1.0646745487614082
Energy: 1.0849557439576287
Energy: 1.0646745487605729
Energy: 1.0849557439576287
Energy: 1.0646745487614082
Energy: 1.0283185522567972
Energy: 1.0537961906494495
Energy: 1.0283185522576326
Energy: 1.0537961906502848
Energy: 1.0283185522567972
Energy: 1.0537961906494495
Energy: 1.084057541474725
Energy: 1.0758741464818469
Energy: 1.084057541474725
Energy: 1.075874146482682
Energy: 1.084057541474725
Energy: 1.0758741464818469
Energy: 1.151115925803859
Energy: 1.0628508098848488
Energy: 1.151115925803859
Energy: 1.0628508098840133
Energy: 1.151115925803859
Energy: 1.0628508098840133
Energy: 0.9904497394426923
Energy: 1.0837583190647382
Energy: 0.9904497394426923
Energy: 1.0837583190647382
Energy: 0.9904497394426923
Energy: 1.0837583190647382
Energy: 1.1332363432002623
Energy: 1.1010018349042068
Energy: 1.133236343199427
Energy: 1.101001834905042
Energy: 1.133236343199427
Energy: 1.1010018349042068
Energy: 1.073998179592801
Energy: 1.0356458805803557
Energy: 1.073998179592801
Energy: 1.0356458805803557
Energy: 1.073998179592801
Energy: 1.0356458805795201

minimum gb energy = 0.9897368192178525 eV
minimum distance =  2.33822792023183 Angstroms
sigma value = 27


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

Energy: 1.0593848196482434
Energy: 1.2122189979232258
Energy: 1.024978267456949
Energy: 1.2122189979232258
Energy: 1.0593848196475393
Energy: 1.2122189979232258
Energy: 1.0573459177925517
Energy: 1.0437328585504357
Energy: 1.0573459177925517
Energy: 1.04373285855114
Energy: 1.0573459177925517
Energy: 1.0437328585518442
Energy: 1.0311083354825878
Energy: 0.9946208785900614
Energy: 1.0311083354825878
Energy: 0.9946208785900614
Energy: 1.0311083354825878
Energy: 0.9946208785907654
Energy: 0.9454433195065485
Energy: 1.0616920460676664
Energy: 0.9454433195065485
Energy: 1.061692046066962
Energy: 0.9454433195072527
Energy: 1.0616920460676664
Energy: 1.0120235837917197
Energy: 1.0857265182785205
Energy: 1.0120235837924236
Energy: 1.0857265182785205
Energy: 1.0120235837924236
Energy: 1.0857265182785205
Energy: 1.1015337001777992
Energy: 1.0416952150701322
Energy: 1.1015337001785033
Energy: 1.0416952150701322
Energy: 1.1015337001785033
Energy: 1.041695215069428
Energy: 0.9834197441136366
Energy: 1.058900861743307
Energy: 0.9834197441143406
Energy: 1.058900861743307
Energy: 0.9834197441136366
Energy: 1.058900861743307
Energy: 1.1051193389927574
Energy: 1.0313718408497734
Energy: 1.1051193389941656
Energy: 1.0313718408504775
Energy: 1.1051193389927574
Energy: 1.0313718408504775
Energy: 1.0983831425576216
Energy: 0.9493586765506014
Energy: 1.0982299182905622
Energy: 0.9493586765506014
Energy: 1.0983831425576216
Energy: 0.9493586765506014
Energy: 1.047277074667402
Energy: 1.0616390690326913
Energy: 1.04719532289878
Energy: 1.0616390690326913
Energy: 1.0472770746681062
Energy: 1.061639069031987
Energy: 1.04694286887675
Energy: 1.1253291174404325
Energy: 1.0471109306954836
Energy: 1.1253291174404325
Energy: 1.04694286887675
Energy: 1.1253291174397282
Energy: 1.071039954771433
Energy: 0.9843384748206582
Energy: 1.071039954770729
Energy: 0.9843384748213623
Energy: 1.071039954770729
Energy: 0.9843384748213623
Energy: 0.9962163005850053
Energy: 1.0637054818213825
Energy: 0.9962163005850053
Energy: 1.0637054818206786
Energy: 0.9962163005850053
Energy: 1.0637054818220866
Energy: 0.9457760123140088
Energy: 1.0165939324592486
Energy: 0.9457760123140088
Energy: 1.0165939324592486
Energy: 0.9457760123140088
Energy: 1.0165939324585445
Energy: 1.161313468903796
Energy: 1.0393329676883707
Energy: 1.157679755753485
Energy: 1.0393329676883707
Energy: 1.161313468903796
Energy: 1.039332967689075
Energy: 1.045969227254894
Energy: 1.064319302685201
Energy: 1.0459692272541896
Energy: 1.0643193026844968
Energy: 1.045969227254894
Energy: 1.0643193026837927
Energy: 0.9852027239371378
Energy: 1.0304463837248437
Energy: 0.9852027239364337
Energy: 1.0304463837241395
Energy: 0.9852027239371378
Energy: 1.0304463837248437
Energy: 1.0617501168545105
Energy: 0.9767216305575558
Energy: 1.0617501168545105
Energy: 0.9767216305575558
Energy: 1.0617501168545105
Energy: 0.9767216305582599
Energy: 1.0643350676967087
Energy: 1.0039024286383595
Energy: 1.0021337334532714
Energy: 1.0039024286383595
Energy: 1.0643350676960046
Energy: 1.0039024286383595
Energy: 1.0593848196475393
Energy: 1.2122189979225217
Energy: 1.024978267457653
Energy: 1.2122189979232258
Energy: 1.0593848196475393
Energy: 1.2122189979225217
Energy: 1.0573459177925517
Energy: 1.04373285855114
Energy: 1.0573459177918476
Energy: 1.04373285855114
Energy: 1.0573459177925517
Energy: 1.0437328585518442
Energy: 1.0311083354818837
Energy: 0.9946208785900614
Energy: 1.0311083354818837
Energy: 0.9946208785900614
Energy: 1.0311083354818837
Energy: 0.9946208785914696
Energy: 0.9454433195065485
Energy: 1.0616920460676664
Energy: 0.9454433195065485
Energy: 1.0616920460676664
Energy: 0.9454433195072527
Energy: 1.0616920460676664
Energy: 1.0120235837924236
Energy: 1.085726518277816
Energy: 1.0120235837917197
Energy: 1.085726518277816
Energy: 1.0120235837924236
Energy: 1.085726518277816
Energy: 1.1015337001792076
Energy: 1.0416952150701322
Energy: 1.1015337001777992
Energy: 1.0416952150701322
Energy: 1.1015337001792076
Energy: 1.041695215070836

minimum gb energy = 0.9454433195065485 eV
minimum distance =  2.3408963174253 Angstroms
sigma value = 19


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

Energy: 0.9522824564170501
Energy: 1.1083444295797389
Energy: 0.9522824564170501
Energy: 1.1083444295797389
Energy: 0.9522824564170501
Energy: 1.1083444295797389
Energy: 1.030611622379984
Energy: 0.9688402308028643
Energy: 1.030611622379984
Energy: 0.9688402308028643
Energy: 1.030611622379984
Energy: 0.968840230803472
Energy: 1.150556573281492
Energy: 0.9271002232954951
Energy: 1.1766614439294476
Energy: 0.9271002232954951
Energy: 1.1183126083567891
Energy: 0.9271002232954951
Energy: 0.9185974515497738
Energy: 1.0119432603428122
Energy: 0.9185974515497738
Energy: 1.0119432603458514
Energy: 0.9185974515497738
Energy: 1.0119432603440277
Energy: 0.9782918797502522
Energy: 1.0302038380715661
Energy: 0.9782918797502522
Energy: 1.0302038380715661
Energy: 0.9782918797502522
Energy: 1.0302038380715661
Energy: 1.032074710717864
Energy: 0.9242711592192763
Energy: 1.032074710717864
Energy: 0.9242711592198841
Energy: 1.032074710717864
Energy: 0.9242711592192763
Energy: 0.9231913355629516
Energy: 1.1097609006063367
Energy: 0.9231913355629516
Energy: 1.1097609006045133
Energy: 0.9231913355629516
Energy: 1.1097609006045133
Energy: 0.9440924547447408
Energy: 1.1373898424331903
Energy: 0.9440924547447408
Energy: 1.1373898424331903
Energy: 0.9440924547453485
Energy: 1.1373898424331903
Energy: 1.02261397812078
Energy: 0.9050735442406214
Energy: 1.02261397812078
Energy: 0.9050735442406214
Energy: 1.0226139781201722
Energy: 0.9050735442406214
Energy: 1.003073174153691
Energy: 1.0133499267015653
Energy: 1.0030731741530827
Energy: 1.0133499267015653
Energy: 1.0030731741549064
Energy: 1.0133499267015653
Energy: 0.9122935265718893
Energy: 1.14431109192086
Energy: 0.9122935265706735
Energy: 1.144311091920252
Energy: 0.9122935265724971
Energy: 1.14431109192086
Energy: 1.0476712818782397
Energy: 0.9232702581487581
Energy: 1.0476712818782397
Energy: 0.9232702581481502
Energy: 1.0476712818788474
Energy: 0.9232702581481502
Energy: 1.001516302012499
Energy: 0.9749999230506741
Energy: 1.001516302013107
Energy: 0.9749999230506741
Energy: 1.001516302013107
Energy: 0.9749999230506741
Energy: 0.9227074478037048
Energy: 1.010590342546222
Energy: 0.9227074478037048
Energy: 1.010590342546222
Energy: 0.9227074478037048
Energy: 1.010590342546222
Energy: 1.0834849696512585
Energy: 0.9538524019853264
Energy: 1.0834849696512585
Energy: 0.9538524019859341
Energy: 1.0834849696512585
Energy: 0.9538524019859341
Energy: 1.1314900113970028
Energy: 0.905158088292447
Energy: 1.1314900113970028
Energy: 0.9051580882930549
Energy: 1.1314900113970028
Energy: 0.905158088292447
Energy: 0.92940063115277
Energy: 1.014152133392964
Energy: 0.92940063115277
Energy: 1.014152133392964
Energy: 0.92940063115277
Energy: 1.014152133392964
Energy: 1.0145999334675246
Energy: 1.1149063755998667
Energy: 1.0145999334675246
Energy: 1.1149063756004747
Energy: 1.0145999334675246
Energy: 1.1149063755998667
Energy: 1.0649111831098224
Energy: 0.9228342628492433
Energy: 1.0649111831098224
Energy: 0.9228342628492433
Energy: 1.0649111831098224
Energy: 0.9228342628492433
Energy: 0.931322747463925
Energy: 1.0291005318407245
Energy: 0.931322747463925
Energy: 1.0291005318407245
Energy: 0.9313227474645327
Energy: 1.0291005318407245
Energy: 0.9016725627516963
Energy: 1.1558944956041226
Energy: 0.9016725627516963
Energy: 1.1558944956035146
Energy: 0.9016725627510885
Energy: 1.1558944956035146
Energy: 1.0423402844210017
Energy: 0.9270064999769314
Energy: 1.042340284420394
Energy: 0.9270064999769314
Energy: 1.042340284420394
Energy: 0.9270064999769314
Energy: 1.0444407291200875
Energy: 1.0783945293767998
Energy: 1.0444407291200875
Energy: 1.0783945293767998
Energy: 1.0444407291200875
Energy: 1.0783945293767998
Energy: 0.9444512858334241
Energy: 1.1253783580431502
Energy: 0.9444512858340319
Energy: 1.1253783580431502
Energy: 0.9444512858340319
Energy: 1.1253783580431502
Energy: 0.9661063563920206
Energy: 0.9270839243119181
Energy: 0.9661063563914128
Energy: 0.9270839243119181
Energy: 0.9661063563920206
Energy: 0.9270839243119181
Energy: 1.0693898500424146
Energy: 0.9194306344547752
Energy: 1.0693898500424146
Energy: 0.9194306344541675
Energy: 1.0693898500424146
Energy: 0.9194306344547752
Energy: 0.907868889547831
Energy: 0.9796657585789199
Energy: 0.9078688895484387
Energy: 0.9796657585795276
Energy: 0.9078688895484387
Energy: 0.9796657585795276
Energy: 1.0402080403737277
Energy: 0.9223438899090899
Energy: 1.04020804037312
Energy: 0.9223438899090899
Energy: 1.0402080403737277
Energy: 0.9223438899090899
Energy: 1.0063359146445732
Energy: 0.9224050064342723
Energy: 1.0063359146445732
Energy: 0.9224050064342723
Energy: 1.006335914645181
Energy: 0.9224050064342723

minimum gb energy = 0.9016725627510885 eV
minimum distance =  2.33357402010236 Angstroms
sigma value = 101


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

Energy: 0.894095162515081
Energy: 1.0334993632845346
Energy: 0.8940951625145467
Energy: 1.0334993632845346
Energy: 0.8940951625145467
Energy: 1.0334993632845346
Energy: 0.9603661492320957
Energy: 0.9245997659769124
Energy: 0.9603661492358357
Energy: 0.9324754829037262
Energy: 0.9603661492246158
Energy: 0.8786803582341264
Energy: 1.0146169596853465
Energy: 0.881266470467321
Energy: 1.0146169596858807
Energy: 0.881266470467321
Energy: 1.0146169596853465
Energy: 0.881266470467321
Energy: 0.8568243452661561
Energy: 1.2280994229529631
Energy: 0.8568243452661561
Energy: 1.276107878337085
Energy: 0.8568243452661561
Energy: 1.1276133922946594
Energy: 0.931407671363242
Energy: 0.9798168269339091
Energy: 0.931407671362708
Energy: 0.9798168269339091
Energy: 0.931407671362708
Energy: 0.9798168269339091
Energy: 0.9892057217263888
Energy: 0.8683105340580606
Energy: 0.9892057217269231
Energy: 0.8683105340580606
Energy: 0.9892057217269231
Energy: 0.8683105340580606
Energy: 0.8785439272445106
Energy: 1.1477390048339422
Energy: 0.8785439272445106
Energy: 1.147739004833408
Energy: 0.8785439272445106
Energy: 1.1477390048339422
Energy: 0.8681502200371303
Energy: 1.1489285863307803
Energy: 0.8681502200371303
Energy: 1.2163917987138382
Energy: 0.8681502200371303
Energy: 1.0635368632539337
Energy: 1.002086727866444
Energy: 0.8696565840652759
Energy: 1.0020867278659098
Energy: 0.8696565840652759
Energy: 1.002086727866444
Energy: 0.8696565840658101
Energy: 0.9321156876519742
Energy: 0.9529770248608879
Energy: 0.9321156876509299
Energy: 1.1217797956768014
Energy: 0.9321156876514642
Energy: 0.996453388512103
Energy: 0.8555826944522448
Energy: 1.0524660460277155
Energy: 0.8555826944522448
Energy: 1.0524660460277155
Energy: 0.8555826944522448
Energy: 1.0524660460277155
Energy: 1.0404083234288932
Energy: 0.9001018124307422
Energy: 1.040408323429962
Energy: 0.9368273271438099
Energy: 1.0404083234294277
Energy: 0.8784348490855766
Energy: 0.9870886837579831
Energy: 0.8815813220627591
Energy: 0.9870886837579831
Energy: 0.881581322062225
Energy: 0.9870886837574486
Energy: 0.8815813220616906
Energy: 0.8941669082715794
Energy: 1.1707464032753387
Energy: 0.8941669082721136
Energy: 1.1909362656481834
Energy: 0.8941669082721136
Energy: 1.144953168200604
Energy: 0.9957609881060427
Energy: 0.9690818165484703
Energy: 0.9957609881055084
Energy: 0.9690818165490047
Energy: 0.9957609881060427
Energy: 0.9690818165490047
Energy: 1.0132534170235927
Energy: 0.8836022077705522
Energy: 1.0132534170230583
Energy: 0.8836022077700179
Energy: 1.0132534170235927
Energy: 0.8836022077700179
Energy: 0.8556419605632606
Energy: 1.22497282839056
Energy: 0.8556419605637948
Energy: 1.22497282839056
Energy: 0.8556419605637948
Energy: 1.22497282839056
Energy: 0.8558421602763607
Energy: 0.9796742365151478
Energy: 0.8558421602768949
Energy: 0.9796742365156821
Energy: 0.8558421602768949
Energy: 0.9796742365151478
Energy: 0.9890277533072317
Energy: 0.869622226324569
Energy: 0.9890277533072317
Energy: 0.869622226324569
Energy: 0.9890277533072317
Energy: 0.8696222263240346
Energy: 0.8795039403508308
Energy: 1.0425034799530122
Energy: 0.8795039403492277
Energy: 1.0425034799535462
Energy: 0.8795039403497621
Energy: 1.0425034799524777
Energy: 0.8702696010998952
Energy: 1.0930499913777187
Energy: 0.8702696010998952
Energy: 1.0930499913777187
Energy: 0.8702696010998952
Energy: 1.0930499913777187
Energy: 1.2253000724284697
Energy: 0.8685489578402473
Energy: 1.2253000724284697
Energy: 0.8685489578402473
Energy: 1.2253000724284697
Energy: 0.8685489578402473
Energy: 1.0140681245126824
Energy: 0.868895360300056
Energy: 1.0140681245132166
Energy: 0.868895360300056
Energy: 1.0140681245126824
Energy: 0.868895360300056
Energy: 0.856816173239984
Energy: 1.0137439881626
Energy: 0.8568161732394498
Energy: 1.0424899146573063
Energy: 0.8568161732394498
Energy: 0.9828423191628528
Energy: 1.0399061743223001
Energy: 0.891230171997529
Energy: 1.0399061743217657
Energy: 0.8912301719969946
Energy: 1.0399061743217657
Energy: 0.8912301719969946
Energy: 1.0821886163592758
Energy: 0.8834214486194445
Energy: 1.0821886163592758
Energy: 0.8834214486189101
Energy: 1.0821886163592758
Energy: 0.8834214486189101
Energy: 0.8941516421537329
Energy: 1.1810198162856687
Energy: 0.8941516421542672
Energy: 1.1810198162856687
Energy: 0.8941516421542672
Energy: 1.1810198162856687
Energy: 0.8944639573471143
Energy: 1.024153195191727
Energy: 0.8944639573471143
Energy: 1.0241531951922613
Energy: 0.8944639573465798
Energy: 1.0241531951922613
Energy: 0.9829152330379195
Energy: 0.8812819738789004
Energy: 0.9829152330379195
Energy: 0.8812819738789004
Energy: 0.9829152330373853
Energy: 0.8812819738789004
Energy: 0.8562349694184417
Energy: 1.156707622938533
Energy: 0.8562349694184417
Energy: 1.156707622938533
Energy: 0.8562349694179073
Energy: 1.156707622938533
Energy: 0.8556493470504187
Energy: 0.951943069654987
Energy: 0.8556493470504187
Energy: 0.951943069654987
Energy: 0.8556493470509529
Energy: 0.951943069654987
Energy: 1.092553268917532
Energy: 0.8684226712288066
Energy: 1.092553268917532
Energy: 0.8684226712288066
Energy: 1.092553268917532
Energy: 0.8684226712293409
Energy: 1.1439401428168736
Energy: 0.8688831735467022
Energy: 1.1439401428168736
Energy: 0.8688831735467022
Energy: 1.1439401428168736
Energy: 0.8688831735467022

minimum gb energy = 0.8555826944522448 eV
minimum distance =  2.34935101395906 Angstroms
sigma value = 33


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

Energy: 0.015499874400777517
Energy: 0.8064062418393816
Energy: 0.015499874400777517
Energy: 0.806406241839801
Energy: 0.015499874400777517
Energy: 0.8064062418393816
Energy: 0.01616662921886795
Energy: 0.2556179892513625
Energy: 0.016166629219287215
Energy: 0.2556179892513625
Energy: 0.016166629219287215
Energy: 0.2556179892513625
Energy: 0.9253198643926188
Energy: 0.25544467162671936
Energy: 1.3408227892867106
Energy: 0.25544467162671936
Energy: 1.9592278819804565
Energy: 0.25544467162671936
Energy: 0.016166629219287215
Energy: 0.25561798925091855
Energy: 0.016166629219287215
Energy: 0.25561798925091855
Energy: 0.016166629219287215
Energy: 0.25561798925091855

minimum gb energy = 0.015499874400777517 eV
minimum distance =  2.54406198880506 Angstroms
sigma value = 1