Model name: model_name=MEAM_LAMMPS_EtesamiAsadi_2018_Fe__MO_549900287421_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.851000025868416
cohesive_energy=4.290337340197516
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.013334544431325925
Energy: 0.013730972623598752
Energy: 0.7287224933847954
Energy: 0.013730972623598752
Energy: 0.013334544431325925
Energy: 0.013730972623598752
Energy: 0.013730972623598752
Energy: 3.173674557058183
Energy: 0.013730972623598752
Energy: 2.82678494388334
Energy: 0.013730972623598752
Energy: 2.82678494388334
Energy: 0.7287224933847954
Energy: 0.013730972623598752
Energy: 0.013334544431325925
Energy: 0.013730972623598752
Energy: 0.7287224933847954
Energy: 0.013730972623598752
Energy: 0.013730972623598752
Energy: 2.826784943883844
Energy: 0.013730972623598752
Energy: 2.82678494388334
Energy: 0.013730972623598752
Energy: 2.826784943883844
Energy: 0.013334544431325925
Energy: 0.013730972623598752
Energy: 0.7287224933847954
Energy: 0.013730972623598752
Energy: 0.013334544431325925
Energy: 0.013730972623598752
Energy: 0.013730972623598752
Energy: 2.82678494388334
Energy: 0.013730972623598752
Energy: 2.826784943883844
Energy: 0.013730972623598752
Energy: 2.82678494388334

minimum gb energy = 0.013334544431325925 eV
minimum distance =  2.39871204398003 Angstroms
sigma value = 1


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

Energy: 1.2399255053244593
Energy: 1.3290811348550031
Energy: 1.3056133565987906
Energy: 1.3290811348562168
Energy: 1.2399255053244593
Energy: 1.3290811348562168
Energy: 1.2412001216315485
Energy: 1.3084894674759426
Energy: 1.2350805092627681
Energy: 1.3084894674759426
Energy: 1.2412001216315485
Energy: 1.3084894674759426
Energy: 1.2429404321893283
Energy: 1.3084982081787453
Energy: 1.2337900517012244
Energy: 1.3084982081787453
Energy: 1.2429404321893283
Energy: 1.3084982081787453
Energy: 1.2740465048896472
Energy: 1.2625828377505983
Energy: 1.226955613363189
Energy: 1.2625828377505983
Energy: 1.274046504890861
Energy: 1.2625828377505983
Energy: 1.2740378600354716
Energy: 1.329399094581681
Energy: 1.2623156325884122
Energy: 1.3293990945828948
Energy: 1.2740378600354716
Energy: 1.3293990945828948
Energy: 1.233963401785909
Energy: 1.3077206187036978
Energy: 1.2442851131557382
Energy: 1.307720618702484
Energy: 1.233963401785909
Energy: 1.307720618702484
Energy: 1.233898455961966
Energy: 1.3079351215284953
Energy: 1.24539221334298
Energy: 1.3079351215284953
Energy: 1.2338984559631798
Energy: 1.3079351215284953
Energy: 1.3031295495538808
Energy: 1.3296697113835303
Energy: 1.219707089769569
Energy: 1.3296697113823164
Energy: 1.3031295495538808
Energy: 1.3296697113823164
Energy: 1.2748925915914298
Energy: 1.2649919204386173
Energy: 1.227456953537132
Energy: 1.2649919204386173
Energy: 1.2748925915914298
Energy: 1.2649919204374038
Energy: 1.2362020656886523
Energy: 1.3085735503837628
Energy: 1.2444668349924008
Energy: 1.3085735503837628
Energy: 1.2362020656886523
Energy: 1.3085735503837628
Energy: 1.2457427842481132
Energy: 1.283749804356262
Energy: 1.2350341404144958
Energy: 1.2837498043550486
Energy: 1.2457427842481132
Energy: 1.2837498043550486
Energy: 1.2235370150627694
Energy: 1.3291550834963555
Energy: 1.2234979815934202
Energy: 1.3291550834963555
Energy: 1.2235370150627694
Energy: 1.3291550834963555
Energy: 1.2349767716752242
Energy: 1.2837498043550486
Energy: 1.2631089879508572
Energy: 1.2837498043550486
Energy: 1.2349767716752242
Energy: 1.2837498043550486
Energy: 1.2444873161555414
Energy: 1.3085829500665898
Energy: 1.2364965375335901
Energy: 1.3085829500665898
Energy: 1.2444873161543277
Energy: 1.3085829500665898
Energy: 1.2274620309554503
Energy: 1.264916102239183
Energy: 1.2753406146668778
Energy: 1.264916102239183
Energy: 1.227462030956664
Energy: 1.264916102239183
Energy: 1.2192399153568902
Energy: 1.3296403380083666
Energy: 1.3031571097800723
Energy: 1.3296403380083666
Energy: 1.2192399153568902
Energy: 1.3296403380083666
Energy: 1.2454086903589632
Energy: 1.3081347357111772
Energy: 1.2338579773857457
Energy: 1.3081347357111772
Energy: 1.2454086903589632
Energy: 1.3081347357111772
Energy: 1.244271317395365
Energy: 1.3077768957040263
Energy: 1.23410294217529
Energy: 1.3077768957040263
Energy: 1.244271317395365
Energy: 1.3077768957040263
Energy: 1.2738829620665586
Energy: 1.3294022945746686
Energy: 1.2740156670943297
Energy: 1.3294022945746686
Energy: 1.2738829620665586
Energy: 1.3294022945746686
Energy: 1.2267944075119213
Energy: 1.2625873614855436
Energy: 1.2739033557736281
Energy: 1.2625873614855436
Energy: 1.2267944075107076
Energy: 1.2625873614867573
Energy: 1.2336979923223714
Energy: 1.3084851679458884
Energy: 1.2429371111602816
Energy: 1.3084851679458884
Energy: 1.2336979923223714
Energy: 1.3084851679458884
Energy: 1.2351626493345407
Energy: 1.3085002840719537
Energy: 1.2412126747806138
Energy: 1.3085002840731679
Energy: 1.2351626493345407
Energy: 1.3085002840731679
Energy: 1.292511135175294
Energy: 1.3290811348562168
Energy: 1.2399255053244593
Energy: 1.3290811348562168
Energy: 1.292511135175294
Energy: 1.3290811348562168

minimum gb energy = 1.2192399153568902 eV
minimum distance =  2.26988290161062 Angstroms
sigma value = 33


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

Energy: 1.7152578265304093
Energy: 1.3785737788184245
Energy: 1.3075673042863918
Energy: 1.3785737788184245
Energy: 1.7152578265304093
Energy: 1.3785737788184245
Energy: 1.2750099381210263
Energy: 1.3541675436417595
Energy: 1.3888863801470612
Energy: 1.3541675436417595
Energy: 1.2750099381217164
Energy: 1.3541675436417595
Energy: 1.2745340844907236
Energy: 1.3762504802006328
Energy: 1.3521984269640535
Energy: 1.3762504802006328
Energy: 1.2745340844907236
Energy: 1.3762504802006328
Energy: 1.2732053394023488
Energy: 1.3232328290597932
Energy: 1.374375114695523
Energy: 1.3232328290597932
Energy: 1.273205339401658
Energy: 1.3232328290597932
Energy: 1.273214272186149
Energy: 1.355227414443375
Energy: 1.3731653895122953
Energy: 1.355227414443375
Energy: 1.273214272186149
Energy: 1.3552274144440655
Energy: 1.2647391016911516
Energy: 1.3552621148144015
Energy: 1.299284729042232
Energy: 1.3552621148150916
Energy: 1.2647391016904612
Energy: 1.3552621148150916
Energy: 1.2645445120560608
Energy: 1.3550740237663883
Energy: 1.3466181503451977
Energy: 1.3550740237663883
Energy: 1.2645445120560608
Energy: 1.3550740237663883
Energy: 1.2998952707489204
Energy: 1.3562745304018744
Energy: 1.3073356981511122
Energy: 1.3562745304018744
Energy: 1.2998952707489204
Energy: 1.3562745304018744
Energy: 1.2730606082403584
Energy: 1.3229459904316287
Energy: 1.2628225657167744
Energy: 1.3229459904309386
Energy: 1.2730606082403584
Energy: 1.3229459904309386
Energy: 1.2630874973355382
Energy: 1.3762458859350601
Energy: 1.274173664446655
Energy: 1.3762458859350601
Energy: 1.2630874973362285
Energy: 1.3762458859343698
Energy: 1.2764987051418653
Energy: 1.3581778400073339
Energy: 1.274250346162807
Energy: 1.3581778400073339
Energy: 1.276498705141206
Energy: 1.3581778400066435
Energy: 1.3523129911504201
Energy: 1.356713292691074
Energy: 1.3016315906130855
Energy: 1.356713292691074
Energy: 1.3523129911504201
Energy: 1.356713292691074
Energy: 1.37348088685662
Energy: 1.329325810623975
Energy: 1.2752878412549487
Energy: 1.329325810623975
Energy: 1.3734808868573105
Energy: 1.329325810623975
Energy: 1.3471157170432027
Energy: 1.3758487952600147
Energy: 1.2689867800411727
Energy: 1.3758487952593244
Energy: 1.347115717042512
Energy: 1.3758487952593244
Energy: 1.352691355503471
Energy: 1.354941950110344
Energy: 1.3896950278611797
Energy: 1.354941950110344
Energy: 1.352691355504161
Energy: 1.354941950110344
Energy: 1.3527222296017702
Energy: 1.3550849939416532
Energy: 1.2950851783094115
Energy: 1.3550849939416532
Energy: 1.35272222960108
Energy: 1.3550849939416532
Energy: 1.3736678630534407
Energy: 1.3547955203694197
Energy: 1.2740283053449701
Energy: 1.3547955203694197
Energy: 1.3736678630534407
Energy: 1.3547955203694197
Energy: 1.3738984691045917
Energy: 1.3497139765494746
Energy: 1.3831182601777354
Energy: 1.3497139765494746
Energy: 1.3738984691045917
Energy: 1.349713976548784
Energy: 1.2973983788710652
Energy: 1.3563446860778767
Energy: 1.2849532909506276
Energy: 1.3563446860778767
Energy: 1.2973983788710652
Energy: 1.3563446860778767
Energy: 1.3470961020920684
Energy: 1.3233099466634408
Energy: 1.3792612534854742
Energy: 1.3233099466634408
Energy: 1.347096102091378
Energy: 1.3233099466641312
Energy: 1.3484741989179814
Energy: 1.3763753727445818
Energy: 1.3083099933366644
Energy: 1.3763753727445818
Energy: 1.3484741989179814
Energy: 1.3763753727445818
Energy: 1.3075414410739197
Energy: 1.3612545296067375
Energy: 1.4378342115730594
Energy: 1.3612545296074277
Energy: 1.3075414410732296
Energy: 1.3612545296067375
Energy: 1.2729151646368544
Energy: 1.3564909157490577
Energy: 1.3731416654337218
Energy: 1.356490915749748
Energy: 1.2729151646368544
Energy: 1.3564909157490577
Energy: 1.373457502869907
Energy: 1.3500448704088743
Energy: 1.2730944290051796
Energy: 1.3500448704088743
Energy: 1.373457502869907
Energy: 1.3500448704088743
Energy: 1.3008480883679687
Energy: 1.3547410425292634
Energy: 1.3521537612441048
Energy: 1.3547410425292634
Energy: 1.3008480883679687
Energy: 1.3547410425292634
Energy: 1.2702380735373897
Energy: 1.374350164548434
Energy: 1.3280915499339474
Energy: 1.374350164548434
Energy: 1.2702380735366994
Energy: 1.374350164548434
Energy: 1.2702240348539084
Energy: 1.3743341066510864
Energy: 1.3427433153474535
Energy: 1.3743341066510864
Energy: 1.2702240348539084
Energy: 1.3743341066510864
Energy: 1.3009905062234193
Energy: 1.3547028477880563
Energy: 1.3521643638903151
Energy: 1.3547028477894367
Energy: 1.300990506222729
Energy: 1.3547028477887464
Energy: 1.3735277858334025
Energy: 1.3500410277008796
Energy: 1.2732274977325237
Energy: 1.3500410277015698
Energy: 1.3735277858327122
Energy: 1.3500410277008796
Energy: 1.272908728282777
Energy: 1.3564871084088808
Energy: 1.3145775746182176
Energy: 1.3564871084088808
Energy: 1.272908728282777
Energy: 1.3564871084088808
Energy: 1.3073677202710305
Energy: 1.3612545296074277
Energy: 1.4377402763230382
Energy: 1.3612545296074277
Energy: 1.3073677202710305
Energy: 1.3612545296074277
Energy: 1.3484847865993543
Energy: 1.3763903245762557
Energy: 1.3082991656593672
Energy: 1.3763903245762557
Energy: 1.3484847865993543
Energy: 1.3763903245762557
Energy: 1.3472037159779156
Energy: 1.3233113184344
Energy: 1.379323123098109
Energy: 1.3233113184344
Energy: 1.3472037159779156
Energy: 1.3233113184344
Energy: 1.2974043180376138
Energy: 1.3563462607905301
Energy: 1.2630151487111447
Energy: 1.3563462607905301
Energy: 1.2974043180376138
Energy: 1.3563462607905301
Energy: 1.3738603186754372
Energy: 1.3496891525623924
Energy: 1.4628576981703882
Energy: 1.3496891525623924
Energy: 1.3738603186754372
Energy: 1.3496891525623924
Energy: 1.3735959528254986
Energy: 1.3549705340259122
Energy: 1.2740529819948774
Energy: 1.3549705340259122
Energy: 1.3735959528254986
Energy: 1.3549705340259122
Energy: 1.3524014482973652
Energy: 1.3550535872597027
Energy: 1.287800718881126
Energy: 1.3550535872597027
Energy: 1.3524014482973652
Energy: 1.3550535872597027
Energy: 1.3525496175122695
Energy: 1.354733392721237
Energy: 1.3894818026997036
Energy: 1.3547333927219274
Energy: 1.3525496175122695
Energy: 1.3547333927219274
Energy: 1.3488921479228904
Energy: 1.375845142623846
Energy: 1.2691410289415377
Energy: 1.375845142623846
Energy: 1.348892147923581
Energy: 1.375845142623846
Energy: 1.3732328641560185
Energy: 1.3292225627563703
Energy: 1.275441474966089
Energy: 1.3292225627563703
Energy: 1.3732328641560185
Energy: 1.3292225627563703
Energy: 1.3523079611229314
Energy: 1.3567114731915815
Energy: 1.2846906940600777
Energy: 1.3567114731915815
Energy: 1.352307961122241
Energy: 1.3567114731915815

minimum gb energy = 1.2628225657167744 eV
minimum distance =  2.23586109669108 Angstroms
sigma value = 51


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

Energy: 1.4472524659997221
Energy: 1.3697523242428886
Energy: 1.4414222977630635
Energy: 1.3697523242428886
Energy: 1.4472524659997221
Energy: 1.3697523242428886
Energy: 1.4086827952574779
Energy: 1.4762405249756256
Energy: 1.6754151547801133
Energy: 1.4762405249756256
Energy: 1.4086827952590775
Energy: 1.4762405249756256
Energy: 1.2873329652533345
Energy: 1.3699157738707626
Energy: 1.541450398728303
Energy: 1.3699157738707626
Energy: 1.2873329652533345
Energy: 1.3699157738707626
Energy: 1.3035743288355757
Energy: 1.3233784928212882
Energy: 1.5417393173087475
Energy: 1.3233784928212882
Energy: 1.3035743288355757
Energy: 1.3233784928212882
Energy: 1.2885621348753127
Energy: 1.3248208917766446
Energy: 1.451964220278235
Energy: 1.3248208917750453
Energy: 1.288562134873713
Energy: 1.3248208917750453
Energy: 1.447011660564041
Energy: 1.3230064173347513
Energy: 1.6026676553831714
Energy: 1.3230064173347513
Energy: 1.447011660564041
Energy: 1.3230064173347513
Energy: 1.447502437065255
Energy: 1.3239043540867432
Energy: 1.5213043254302465
Energy: 1.3239043540851438
Energy: 1.447502437065255
Energy: 1.3239043540851438
Energy: 1.3114335557982488
Energy: 1.3232497381550357
Energy: 1.2573845972092526
Energy: 1.323249738156635
Energy: 1.3114335557982488
Energy: 1.323249738156635
Energy: 1.6102499582253322
Energy: 1.3722999954754889
Energy: 1.2976186577804998
Energy: 1.3722999954754889
Energy: 1.6102499582253322
Energy: 1.3722999954754889
Energy: 1.2875774586200506
Energy: 1.3701780223060822
Energy: 1.2574490177396784
Energy: 1.3701780223060822
Energy: 1.2875774586200506
Energy: 1.3701780223060822
Energy: 1.5415135688137687
Energy: 1.3237466568480765
Energy: 1.6749761947816424
Energy: 1.3237466568480765
Energy: 1.5415135688137687
Energy: 1.323746656846477
Energy: 1.4467734932068141
Energy: 1.3699434934560846
Energy: 1.6024460119423023
Energy: 1.3699434934560846
Energy: 1.4467734932068141
Energy: 1.3699434934560846
Energy: 1.3820703052908287
Energy: 1.3234454018444588
Energy: 1.5417960757863554
Energy: 1.3234454018444588
Energy: 1.3820703052908287
Energy: 1.3234454018444588
Energy: 1.2874796639507247
Energy: 1.3703957671767013
Energy: 1.5418219277566612
Energy: 1.3703957671767013
Energy: 1.2874796639507247
Energy: 1.3703957671767013
Energy: 1.2873862472480397
Energy: 1.3707088248413801
Energy: 1.5416292681500945
Energy: 1.3707088248413801
Energy: 1.2873862472480397
Energy: 1.3707088248429797
Energy: 1.2879610932075725
Energy: 1.3369876339371605
Energy: 1.5415985201017304
Energy: 1.3369876339355609
Energy: 1.2879610932075725
Energy: 1.3369876339355609
Energy: 1.446691371602637
Energy: 1.371065599571326
Energy: 1.6019223348501759
Energy: 1.371065599571326
Energy: 1.446691371602637
Energy: 1.371065599571326
Energy: 1.4468828563428588
Energy: 1.3266431315268639
Energy: 1.6762442015931016
Energy: 1.3266431315284632
Energy: 1.4468828563476575
Energy: 1.3266431315284632

minimum gb energy = 1.2573845972092526 eV
minimum distance =  2.21179271255252 Angstroms
sigma value = 19


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

Energy: 1.5988325984997942
Energy: 1.4356754903108555
Energy: 1.4263469805085196
Energy: 1.4356754903108555
Energy: 1.5988325984997942
Energy: 1.4356754903108555
Energy: 1.3026495069468527
Energy: 1.4028545642429358
Energy: 1.4025577849834683
Energy: 1.4028545642429358
Energy: 1.3026495069468527
Energy: 1.4028545642429358
Energy: 1.2851973582070084
Energy: 1.4147495916534176
Energy: 1.395540949868079
Energy: 1.4147495916534176
Energy: 1.2851973582070084
Energy: 1.4147495916534176
Energy: 1.3473187689685504
Energy: 1.3783570206593585
Energy: 1.3953504564991213
Energy: 1.3783570206593585
Energy: 1.3473187689685504
Energy: 1.3783570206593585
Energy: 1.330147879841205
Energy: 1.4318517704872484
Energy: 1.6384629967326532
Energy: 1.4318517704872484
Energy: 1.330147879841205
Energy: 1.4318517704872484
Energy: 1.6385168514847266
Energy: 1.4319146480801415
Energy: 1.3301405004257907
Energy: 1.4319146480801415
Energy: 1.6385168514847266
Energy: 1.4319146480801415
Energy: 1.395526298201426
Energy: 1.3783643575368558
Energy: 1.329972180896123
Energy: 1.3783643575368558
Energy: 1.3955262982023748
Energy: 1.3783643575368558
Energy: 1.3956162151612164
Energy: 1.4147469418157697
Energy: 1.2850667902084163
Energy: 1.4147469418157697
Energy: 1.3956162151612164
Energy: 1.4147469418157697
Energy: 1.4024061972958708
Energy: 1.4028028131942305
Energy: 1.3328106443077345
Energy: 1.4028028131942305
Energy: 1.4024061972958708
Energy: 1.4028028131942305
Energy: 1.4186273683970216
Energy: 1.4356754903108555
Energy: 1.5988325984997942
Energy: 1.4356754903108555
Energy: 1.4186273683970216
Energy: 1.4356754903108555
Energy: 1.4025577849834683
Energy: 1.4028545642429358
Energy: 1.3026495069468527
Energy: 1.4028545642429358
Energy: 1.4025577849834683
Energy: 1.4028545642429358
Energy: 1.3955409498690279
Energy: 1.4147495916534176
Energy: 1.2851973582070084
Energy: 1.4147495916534176
Energy: 1.395540949868079
Energy: 1.4147495916534176
Energy: 1.3953504564991213
Energy: 1.3783570206593585
Energy: 1.3299866296394685
Energy: 1.3783570206593585
Energy: 1.3953504564991213
Energy: 1.3783570206593585
Energy: 1.6384629967326532
Energy: 1.4318517704881975
Energy: 1.330147879841205
Energy: 1.4318517704881975
Energy: 1.6384629967326532
Energy: 1.4318517704872484
Energy: 1.3301405004267395
Energy: 1.4319146480810903
Energy: 1.5699735134887047
Energy: 1.4319146480801415
Energy: 1.3301405004257907
Energy: 1.4319146480810903
Energy: 1.3470051834896801
Energy: 1.3783643575378048
Energy: 1.3955262982023748
Energy: 1.3783643575368558
Energy: 1.3470051834896801
Energy: 1.3783643575368558
Energy: 1.2850667902084163
Energy: 1.4147469418157697
Energy: 1.3956162151612164
Energy: 1.4147469418157697
Energy: 1.2850667902084163
Energy: 1.4147469418157697
Energy: 1.3328106443077345
Energy: 1.4028028131942305
Energy: 1.4024061972958708
Energy: 1.4028028131942305
Energy: 1.3328106443077345
Energy: 1.4028028131942305
Energy: 1.5988325984997942
Energy: 1.4356754903108555
Energy: 1.4186273683970216
Energy: 1.4356754903108555
Energy: 1.5988325984997942
Energy: 1.4356754903108555
Energy: 1.3026495069468527
Energy: 1.4028545642429358
Energy: 1.4025577849834683
Energy: 1.4028545642429358
Energy: 1.3026495069468527
Energy: 1.4028545642429358
Energy: 1.2851973582070084
Energy: 1.4147495916534176
Energy: 1.395540949868079
Energy: 1.4147495916534176
Energy: 1.2851973582070084
Energy: 1.4147495916534176
Energy: 1.3299866296394685
Energy: 1.3783570206593585
Energy: 1.3953504564991213
Energy: 1.3783570206593585
Energy: 1.3299866296394685
Energy: 1.3783570206593585
Energy: 1.330147879841205
Energy: 1.4318517704881975
Energy: 1.6384629967326532
Energy: 1.4318517704872484
Energy: 1.330147879841205
Energy: 1.4318517704872484
Energy: 1.4936086263268964
Energy: 1.4319146480801415
Energy: 1.3301405004257907
Energy: 1.4319146480801415
Energy: 1.4936086263268964
Energy: 1.4319146480801415
Energy: 1.3955262982023748
Energy: 1.3783643575368558
Energy: 1.3629142455824148
Energy: 1.3783643575368558
Energy: 1.3955262982023748
Energy: 1.3783643575368558
Energy: 1.3956162151612164
Energy: 1.4147469418157697
Energy: 1.2850667902084163
Energy: 1.4147469418157697
Energy: 1.3956162151612164
Energy: 1.4147469418157697
Energy: 1.4024061972958708
Energy: 1.4028028131942305
Energy: 1.3328106443077345
Energy: 1.4028028131942305
Energy: 1.4024061972958708
Energy: 1.4028028131951793
Energy: 1.4186273683970216
Energy: 1.4356754903108555
Energy: 1.5988325984997942
Energy: 1.4356754903108555
Energy: 1.4186273683970216
Energy: 1.4356754903108555
Energy: 1.4025577849834683
Energy: 1.4028545642429358
Energy: 1.3026495069468527
Energy: 1.4028545642429358
Energy: 1.4025577849834683
Energy: 1.4028545642429358
Energy: 1.395540949868079
Energy: 1.4147495916534176
Energy: 1.2851973582070084
Energy: 1.4147495916534176
Energy: 1.395540949868079
Energy: 1.4147495916534176

minimum gb energy = 1.2850667902084163 eV
minimum distance =  2.220494069055 Angstroms
sigma value = 27


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

Energy: 1.1568144302656296
Energy: 1.310255477327032
Energy: 1.4845002218406316
Energy: 1.3102554773272435
Energy: 1.1568144302658412
Energy: 1.3102554773272435
Energy: 1.1525954626746697
Energy: 1.28219507837643
Energy: 1.2273232377050272
Energy: 1.2821950783766676
Energy: 1.1525954626741943
Energy: 1.2821950783766676
Energy: 1.1961081824764486
Energy: 1.5323260871599544
Energy: 1.1969691231169415
Energy: 1.5323260871599544
Energy: 1.1961081824764486
Energy: 1.5323260871601923
Energy: 1.1536449380808274
Energy: 1.314597524798174
Energy: 1.1969366345463834
Energy: 1.314597524798174
Energy: 1.1536449380805895
Energy: 1.314597524798174
Energy: 1.2276151539602869
Energy: 1.3107950727735316
Energy: 1.225988664362444
Energy: 1.3107950727735316
Energy: 1.2276151539602869
Energy: 1.3107950727735316
Energy: 1.1959647571305392
Energy: 1.3725094815447783
Energy: 1.2256152785095964
Energy: 1.372509481545016
Energy: 1.1959647571305392
Energy: 1.372509481545016
Energy: 1.1964895980189307
Energy: 1.2890899144901915
Energy: 1.1962314719292804
Energy: 1.2890899144904293
Energy: 1.1964895980189307
Energy: 1.2890899144904293
Energy: 1.1543893489385788
Energy: 1.3139551309253603
Energy: 1.2273180190900217
Energy: 1.313955130925598
Energy: 1.1543893489381034
Energy: 1.313955130925598
Energy: 1.1962565640113842
Energy: 1.311371110477598
Energy: 1.1962206712807613
Energy: 1.3113711104773866
Energy: 1.1962565640113842
Energy: 1.3113711104778358
Energy: 1.1962039586796107
Energy: 1.5372492224922034
Energy: 1.1961972385022637
Energy: 1.5372492224922034
Energy: 1.1962039586796107
Energy: 1.5372492224922034
Energy: 1.1524983381143026
Energy: 1.3113709292518896
Energy: 1.196290878996653
Energy: 1.3113709292521272
Energy: 1.1524983381140645
Energy: 1.3113709292518896
Energy: 1.2272942953936146
Energy: 1.3139837503538152
Energy: 1.1544047596961118
Energy: 1.313983750353604
Energy: 1.2272942953938524
Energy: 1.313983750353604

minimum gb energy = 1.1524983381140645 eV
minimum distance =  2.25093327447488 Angstroms
sigma value = 9


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

Energy: 1.631699386293427
Energy: 1.510157868265066
Energy: 1.2937976835510552
Energy: 1.510157868264413
Energy: 1.6316993862927742
Energy: 1.510157868264413
Energy: 1.342371893041518
Energy: 1.4662316351527391
Energy: 1.3123265468609597
Energy: 1.4478092563897782
Energy: 1.342371893041518
Energy: 1.483641908597661
Energy: 1.2988497475360576
Energy: 1.521132075018773
Energy: 1.3162732063362241
Energy: 1.521132075018773
Energy: 1.2988497475367107
Energy: 1.521132075018773
Energy: 1.2957087465624078
Energy: 1.4783127499362345
Energy: 1.260503018221983
Energy: 1.4783127499362345
Energy: 1.2957087465624078
Energy: 1.4783127499362345
Energy: 1.2654483469733735
Energy: 1.5063923258321172
Energy: 1.2611695676224493
Energy: 1.5063923258321172
Energy: 1.2654483469727205
Energy: 1.5063923258321172
Energy: 1.237341278045706
Energy: 1.466375983037513
Energy: 1.2963164708621577
Energy: 1.4385239797830003
Energy: 1.2373412780450528
Energy: 1.466375983037513
Energy: 1.3574308940990618
Energy: 1.4883586232887662
Energy: 1.2862100171210624
Energy: 1.4883586232887662
Energy: 1.3574308940997146
Energy: 1.488358623289419
Energy: 1.4486763140815302
Energy: 1.4773197720997473
Energy: 1.3564033772860218
Energy: 1.4773197720990943
Energy: 1.4486763140815302
Energy: 1.4773197720990943
Energy: 1.3443356378034808
Energy: 1.5179404150444746
Energy: 1.323946477058104
Energy: 1.5179404150444746
Energy: 1.3443356378028277
Energy: 1.5179404150444746
Energy: 1.441929464330657
Energy: 1.5195325727393822
Energy: 1.2657967883734726
Energy: 1.5195325727393822
Energy: 1.441929464330657
Energy: 1.5195325727393822
Energy: 1.4052888527846752
Energy: 1.4810107955628073
Energy: 1.311253833721646
Energy: 1.4810107955641134
Energy: 1.4052888527846752
Energy: 1.4810107955634604
Energy: 1.3182440041313739
Energy: 1.4881822476886815
Energy: 1.2984988332998895
Energy: 1.4881822476886815
Energy: 1.3182440041313739
Energy: 1.4881822476886815
Energy: 1.265431479487454
Energy: 1.4142208668052518
Energy: 1.266164804432982
Energy: 1.4142208668052518
Energy: 1.265431479487454
Energy: 1.4142208668052518
Energy: 1.3659094732924386
Energy: 1.5195426177464775
Energy: 1.2256713047974364
Energy: 1.5195426177464775
Energy: 1.3659094732924386
Energy: 1.5195426177458244
Energy: 1.3165148007729457
Energy: 1.5319061417655928
Energy: 1.3035731233808827
Energy: 1.5319061417655928
Energy: 1.3165148007735985
Energy: 1.53190614176494
Energy: 1.3200324431162151
Energy: 1.4727196395118
Energy: 1.2986727282463533
Energy: 1.4727196395118
Energy: 1.3200324431168682
Energy: 1.4727196395111473
Energy: 1.4384500523779125
Energy: 1.524263978879695
Energy: 1.266376499854251
Energy: 1.5242639788790422
Energy: 1.4384500523785653
Energy: 1.5242639788790422
Energy: 1.2550874981218945
Energy: 1.4077754664382895
Energy: 1.3152862935335152
Energy: 1.4077754664382895
Energy: 1.2550874981205886
Energy: 1.4077754664382895
Energy: 1.4534712549843831
Energy: 1.5189266326627113
Energy: 1.2352605927132798
Energy: 1.5189266326627113
Energy: 1.4534712549843831
Energy: 1.5189266326620583
Energy: 1.2699152920462586
Energy: 1.5375009001625275
Energy: 1.2699031707033877
Energy: 1.5375009001631808
Energy: 1.2699152920456054
Energy: 1.5375009001631808
Energy: 1.2352543698414393
Energy: 1.519138934892947
Energy: 1.4534398248779699
Energy: 1.519138934892947
Energy: 1.2352543698420924
Energy: 1.519138934892947
Energy: 1.315243918365332
Energy: 1.4077386791724715
Energy: 1.2552260927723395
Energy: 1.4077386791724715
Energy: 1.315243918365332
Energy: 1.4077386791731246
Energy: 1.2662032582640428
Energy: 1.524243495801053
Energy: 1.4384577159163652
Energy: 1.524243495801053
Energy: 1.2662032582640428
Energy: 1.524243495801053
Energy: 1.2986775933521082
Energy: 1.4726737879847274
Energy: 1.320000625719194
Energy: 1.4726737879847274
Energy: 1.2986775933527612
Energy: 1.4726737879847274
Energy: 1.303557980444203
Energy: 1.5321598568500086
Energy: 1.316546762496269
Energy: 1.5321598568500086
Energy: 1.303557980444203
Energy: 1.5321598568500086
Energy: 1.2256928532945959
Energy: 1.5195661840810006
Energy: 1.402111206002857
Energy: 1.5195661840810006
Energy: 1.2256928532945959
Energy: 1.5195661840816534
Energy: 1.2662176558262082
Energy: 1.4143135178686028
Energy: 1.2654503974853666
Energy: 1.4143135178686028
Energy: 1.2662176558268612
Energy: 1.4143135178686028
Energy: 1.298548208915781
Energy: 1.488192093928321
Energy: 1.3182444444604642
Energy: 1.488192093928321
Energy: 1.298548208915781
Energy: 1.488192093928321
Energy: 1.3111590192400695
Energy: 1.481017182830449
Energy: 1.3136065646545032
Energy: 1.481017182830449
Energy: 1.3111590192400695
Energy: 1.481017182830449
Energy: 1.265773861036239
Energy: 1.5195279143066707
Energy: 1.4418665265838841
Energy: 1.5195279143073235
Energy: 1.265773861036239
Energy: 1.5195279143066707
Energy: 1.3233105241645764
Energy: 1.5179404150457807
Energy: 1.3443510873194195
Energy: 1.5179404150457807
Energy: 1.3233105241645764
Energy: 1.5179404150457807
Energy: 1.3564227423639925
Energy: 1.4772182461455006
Energy: 1.448534014417911
Energy: 1.4772182461455006
Energy: 1.3564227423639925
Energy: 1.4772182461455006
Energy: 1.286076764628179
Energy: 1.4883125115293128
Energy: 1.521518247556051
Energy: 1.4883125115286597
Energy: 1.286076764628179
Energy: 1.4883125115286597
Energy: 1.2963972394525534
Energy: 1.4132117711240824
Energy: 1.2373607811454843
Energy: 1.4132117711240824
Energy: 1.2963972394519
Energy: 1.4132117711240824
Energy: 1.293999067981117
Energy: 1.5063656418120015
Energy: 1.2654581756101277
Energy: 1.5063656418126545
Energy: 1.2939990679817703
Energy: 1.5063656418126545
Energy: 1.260435757084426
Energy: 1.4782706397716856
Energy: 1.295721682856535
Energy: 1.4782706397716856
Energy: 1.260435757084426
Energy: 1.4782706397716856
Energy: 1.316221009186946
Energy: 1.5210709875655446
Energy: 1.2988547940067345
Energy: 1.5210709875668507
Energy: 1.316221009186293
Energy: 1.5210709875668507
Energy: 1.31244369291589
Energy: 1.447809256391084
Energy: 1.3425836238408604
Energy: 1.447809256390431
Energy: 1.31244369291589
Energy: 1.447809256390431
Energy: 1.334839554735305
Energy: 1.510157868264413
Energy: 1.6316993862927742
Energy: 1.510157868264413
Energy: 1.3348395547359577
Energy: 1.51015786826376
Energy: 1.3123265468609597
Energy: 1.4836419085983141
Energy: 1.342371893041518
Energy: 1.4836419085989672
Energy: 1.3123265468609597
Energy: 1.4836419085983141
Energy: 1.3162732063362241
Energy: 1.521132075018773
Energy: 1.2988497475367107
Energy: 1.521132075018773
Energy: 1.3162732063362241
Energy: 1.5211320750194262
Energy: 1.260503018222636
Energy: 1.4783127499368875
Energy: 1.2957087465624078
Energy: 1.4783127499368875
Energy: 1.260503018221983
Energy: 1.4783127499368875
Energy: 1.2611695676224493
Energy: 1.5063923258321172
Energy: 1.2654483469740267
Energy: 1.5063923258321172
Energy: 1.2611695676217962
Energy: 1.5063923258321172

minimum gb energy = 1.2256713047974364 eV
minimum distance =  2.20977932952245 Angstroms
sigma value = 57


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

Energy: 1.357554499583503
Energy: 1.477360249508161
Energy: 1.3412491985667083
Energy: 1.4773602495066744
Energy: 1.357554499583503
Energy: 1.4773602495066744
Energy: 1.0997520037650284
Energy: 1.418016181028059
Energy: 1.1341927062118553
Energy: 1.418016181028059
Energy: 1.0997520037665147
Energy: 1.418016181028059
Energy: 1.091905032758794
Energy: 1.4153556774434894
Energy: 1.1349388461595153
Energy: 1.4153556774434894
Energy: 1.091905032758794
Energy: 1.4153556774434894
Energy: 1.1333734714478292
Energy: 1.4248111049356713
Energy: 1.2007191415899978
Energy: 1.4248111049356713
Energy: 1.1333734714493158
Energy: 1.4248111049356713
Energy: 1.133474905130745
Energy: 1.4780546874832403
Energy: 1.1341013875577997
Energy: 1.4780546874832403
Energy: 1.133474905130745
Energy: 1.4780546874817535
Energy: 1.133658935992042
Energy: 1.4157009334818813
Energy: 1.0900493782103542
Energy: 1.4157009334818813
Energy: 1.133658935992042
Energy: 1.4157009334818813
Energy: 1.1336228683265872
Energy: 1.4157394748151917
Energy: 1.0905120584921666
Energy: 1.4157394748151917
Energy: 1.1336228683265872
Energy: 1.4157394748151917
Energy: 1.133472972477099
Energy: 1.4779846077782222
Energy: 1.2005542622497316
Energy: 1.4779846077782222
Energy: 1.133472972477099
Energy: 1.4779846077782222
Energy: 1.1332877965360166
Energy: 1.4236252784511405
Energy: 1.1336823572270593
Energy: 1.4236252784511405
Energy: 1.133287796537503
Energy: 1.4236252784511405
Energy: 1.0920088244221242
Energy: 1.4153532963752011
Energy: 1.134549918646677
Energy: 1.4153532963766875
Energy: 1.0920088244221242
Energy: 1.4153532963752011
Energy: 1.099866230217856
Energy: 1.4180161810295453
Energy: 1.2259014555166554
Energy: 1.418016181028059
Energy: 1.0998662302193423
Energy: 1.418016181028059
Energy: 1.3575544995820168
Energy: 1.4773602495066744
Energy: 1.1947579694570847
Energy: 1.477360249508161
Energy: 1.3575544995820168
Energy: 1.477360249508161
Energy: 1.0997520037665147
Energy: 1.418016181028059
Energy: 1.1341927062118553
Energy: 1.418016181028059
Energy: 1.0997520037665147
Energy: 1.418016181028059
Energy: 1.091905032758794
Energy: 1.4153556774434894
Energy: 1.1349388461595153
Energy: 1.4153556774434894
Energy: 1.091905032758794
Energy: 1.4153556774434894
Energy: 1.1333734714493158
Energy: 1.4248111049356713
Energy: 1.1404266526731246
Energy: 1.4248111049356713
Energy: 1.1333734714478292
Energy: 1.4248111049356713
Energy: 1.133474905130745
Energy: 1.4780546874832403
Energy: 1.1341013875577997
Energy: 1.4780546874832403
Energy: 1.1334749051292583
Energy: 1.4780546874832403
Energy: 1.133658935992042
Energy: 1.4157009334818813
Energy: 1.0900493782103542
Energy: 1.4157009334818813
Energy: 1.133658935992042
Energy: 1.4157009334818813
Energy: 1.1336228683265872
Energy: 1.4157394748151917
Energy: 1.0905120584921666
Energy: 1.4157394748151917
Energy: 1.1336228683265872
Energy: 1.4157394748151917
Energy: 1.133472972477099
Energy: 1.4779846077782222
Energy: 1.1407852916458951
Energy: 1.4779846077782222
Energy: 1.133472972477099
Energy: 1.4779846077782222

minimum gb energy = 1.0900493782103542 eV
minimum distance =  2.20627710180135 Angstroms
sigma value = 11


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

Energy: 1.1870521369623428
Energy: 1.388977150613019
Energy: 1.1746048174442458
Energy: 1.388977150613019
Energy: 1.1870521369623428
Energy: 1.388977150613019
Energy: 1.0258440844518368
Energy: 1.3481000691392824
Energy: 1.0228992012111422
Energy: 1.3481000691392824
Energy: 1.0258440844518368
Energy: 1.3481000691392824
Energy: 1.1868428909817723
Energy: 1.331779533387748
Energy: 1.1198622954629334
Energy: 1.331779533386659
Energy: 1.1868428909817723
Energy: 1.331779533386659
Energy: 1.0332729352390648
Energy: 1.3221505401130929
Energy: 1.024125082950937
Energy: 1.3221505401141815
Energy: 1.0332729352390648
Energy: 1.3221505401141815
Energy: 1.0236268608520298
Energy: 1.3886149862189472
Energy: 1.1048053426508888
Energy: 1.3886149862189472
Energy: 1.0236268608520298
Energy: 1.3886149862189472
Energy: 1.0512377511982398
Energy: 1.3556011770155698
Energy: 1.0227953561067156
Energy: 1.3556011770155698
Energy: 1.0512377511982398
Energy: 1.3556011770155698
Energy: 1.0499171189892644
Energy: 1.3670668412785698
Energy: 1.0231578232386942
Energy: 1.3670668412785698
Energy: 1.0499171189881757
Energy: 1.3670668412785698
Energy: 1.0547953729015314
Energy: 1.3894864295411964
Energy: 1.0372243207536147
Energy: 1.3894864295401075
Energy: 1.0547953729015314
Energy: 1.3894864295401075
Energy: 1.0545678149216269
Energy: 1.3886021009758989
Energy: 1.0233222945741223
Energy: 1.3886021009758989
Energy: 1.0545678149216269
Energy: 1.3886021009758989
Energy: 1.0513815088553562
Energy: 1.3331340668675127
Energy: 1.022876646094334
Energy: 1.3331340668675127
Energy: 1.0513815088553562
Energy: 1.3331340668675127
Energy: 1.0499061652457675
Energy: 1.354130912457977
Energy: 1.0229671687562796
Energy: 1.354130912457977
Energy: 1.0499061652468564
Energy: 1.354130912457977
Energy: 1.0249119925639993
Energy: 1.3890867881046474
Energy: 1.0232498712532683
Energy: 1.3890867881046474
Energy: 1.0249119925639993
Energy: 1.3890867881057363
Energy: 1.0594406816391284
Energy: 1.2181829343534698
Energy: 1.0498675190464908
Energy: 1.2181829343534698
Energy: 1.0594406816391284
Energy: 1.2181829343534698
Energy: 1.1872506206201499
Energy: 1.3321401851980277
Energy: 1.0541458073554464
Energy: 1.3321401851980277
Energy: 1.1872506206201499
Energy: 1.332140185196939
Energy: 1.0294633753269589
Energy: 1.34929768703005
Energy: 1.0229078264951406
Energy: 1.34929768703005
Energy: 1.02946337532587
Energy: 1.34929768703005
Energy: 1.187872870461324
Energy: 1.3902366539582358
Energy: 1.0545416454588625
Energy: 1.3902366539582358
Energy: 1.187872870461324
Energy: 1.3902366539582358
Energy: 1.032408171050626
Energy: 1.3474467500719325
Energy: 1.0504141207731756
Energy: 1.3474467500719325
Energy: 1.032408171050626
Energy: 1.3474467500719325
Energy: 1.1873661665724002
Energy: 1.3321558320414724
Energy: 1.0885612136579792
Energy: 1.3321558320403835
Energy: 1.1873661665724002
Energy: 1.3321558320403835
Energy: 1.0341132036263465
Energy: 1.3210979074865459
Energy: 1.023146666464721
Energy: 1.3210979074865459
Energy: 1.0341132036252578
Energy: 1.3210979074865459
Energy: 1.024826352134937
Energy: 1.3894011108629551
Energy: 1.0504754913549703
Energy: 1.3894011108629551
Energy: 1.024826352134937
Energy: 1.3894011108629551
Energy: 1.221477673402935
Energy: 1.3592788217224478
Energy: 1.0232678560587587
Energy: 1.3592788217224478
Energy: 1.221477673402935
Energy: 1.3592788217224478
Energy: 1.0514994239854918
Energy: 1.3661006454736369
Energy: 1.02342493794112
Energy: 1.3661006454736369
Energy: 1.0514994239854918
Energy: 1.3661006454736369
Energy: 1.0544206361013628
Energy: 1.391971973787428
Energy: 1.0372275053446376
Energy: 1.3919719737863392
Energy: 1.0544206361035409
Energy: 1.3919719737863392
Energy: 1.0252473439142278
Energy: 1.3894183709575039
Energy: 1.0231066641067106
Energy: 1.3894183709575039
Energy: 1.0252473439142278
Energy: 1.3894183709575039
Energy: 1.055300454266306
Energy: 1.3328490969691047
Energy: 1.0234289515805042
Energy: 1.3328490969691047
Energy: 1.0553004542652173
Energy: 1.332849096968016
Energy: 1.051375321178868
Energy: 1.3555453797195425
Energy: 1.0230336323093385
Energy: 1.3555453797184536
Energy: 1.0513753211777792
Energy: 1.3555453797184536

minimum gb energy = 1.0227953561067156 eV
minimum distance =  2.24744112456155 Angstroms
sigma value = 41


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

Energy: 1.3953096982163622
Energy: 1.3385693369092497
Energy: 0.9746602138044511
Energy: 1.3385693369083915
Energy: 1.3953096982163622
Energy: 1.3385693369083915
Energy: 1.2354718218738334
Energy: 1.236499100657941
Energy: 0.9388803999402503
Energy: 1.2364991006587995
Energy: 1.2354718218738334
Energy: 1.2364991006587995
Energy: 1.047107824450171
Energy: 1.274530934015348
Energy: 0.9750330764199485
Energy: 1.274530934015348
Energy: 1.047107824450171
Energy: 1.274530934015348
Energy: 1.1022208605561414
Energy: 1.2033602054294263
Energy: 0.9389823489264315
Energy: 1.2033602054294263
Energy: 1.1022208605544248
Energy: 1.2033602054294263
Energy: 1.0573576881023175
Energy: 1.2053749088926347
Energy: 1.006831083258893
Energy: 1.2053749088926347
Energy: 1.0573576881023175
Energy: 1.2053749088926347
Energy: 1.272550903568425
Energy: 1.2704346921487044
Energy: 0.9388609318292975
Energy: 1.2704346921495624
Energy: 1.272550903568425
Energy: 1.2704346921495624
Energy: 0.9400155553319667
Energy: 1.2737923072921908
Energy: 0.9386524455905282
Energy: 1.2737923072921908
Energy: 0.9400155553319667
Energy: 1.2737923072921908
Energy: 1.13726091075635
Energy: 1.3050952709768302
Energy: 0.9430994129511081
Energy: 1.3050952709768302
Energy: 1.13726091075635
Energy: 1.3050952709768302
Energy: 0.974696480039497
Energy: 1.2561784263120346
Energy: 1.2352159658120079
Energy: 1.2561784263120346
Energy: 0.974696480039497
Energy: 1.2561784263120346
Energy: 1.279312913016328
Energy: 1.2745395652127804
Energy: 1.2365974982113102
Energy: 1.2745395652136386
Energy: 1.279312913016328
Energy: 1.2745395652136386
Energy: 1.2782842115427064
Energy: 1.3007701773983738
Energy: 1.2364003182257235
Energy: 1.3007701773975155
Energy: 1.2782842115427064
Energy: 1.3007701773983738
Energy: 0.9782043983414568
Energy: 1.304130204346709
Energy: 0.9432228880164202
Energy: 1.3114031482988695
Energy: 0.9782043983414568
Energy: 1.304130204347567
Energy: 0.9748760114517697
Energy: 1.2470431166091684
Energy: 1.1664735030038225
Energy: 1.2470431166091684
Energy: 0.9748760114517697
Energy: 1.2470431166091684
Energy: 0.9389976996315409
Energy: 1.274688562922643
Energy: 0.939074103492871
Energy: 1.274688562922643
Energy: 0.9389976996315409
Energy: 1.274688562922643
Energy: 1.271660055567654
Energy: 1.2723774259554745
Energy: 0.9390612987662379
Energy: 1.2723774259554745
Energy: 1.271660055567654
Energy: 1.2723774259546166
Energy: 1.0593983415342347
Energy: 1.3051965522361504
Energy: 0.9388172970389314
Energy: 1.3051965522361504
Energy: 1.0593983415342347
Energy: 1.3051965522361504
Energy: 1.2356785507116705
Energy: 1.2708585445013165
Energy: 1.007294189129167
Energy: 1.2708585445013165
Energy: 1.235678550712529
Energy: 1.2708585445013165
Energy: 1.0469911945093575
Energy: 1.2739542059477742
Energy: 0.9749126830411515
Energy: 1.2739542059477742
Energy: 1.046991194510216
Energy: 1.2739542059477742
Energy: 1.2353379992709426
Energy: 1.2365639310528778
Energy: 0.9388539586809365
Energy: 1.2365639310528778
Energy: 1.2353379992709426
Energy: 1.2365639310528778
Energy: 1.2367115616887585
Energy: 1.2737946964838331
Energy: 1.132899649199283
Energy: 1.2737946964838331
Energy: 1.2367115616887585
Energy: 1.2737946964838331
Energy: 1.2326687461350547
Energy: 1.2390687781076506
Energy: 0.9748864824341616
Energy: 1.2390687781076506
Energy: 1.232668746135913
Energy: 1.2390687781076506
Energy: 1.0483163715848307
Energy: 1.273843313302263
Energy: 0.9748869482927356
Energy: 1.273843313302263
Energy: 1.0483163715839723
Energy: 1.273843313302263
Energy: 1.2719731442713964
Energy: 1.205551882129846
Energy: 0.9388260409806056
Energy: 1.205551882129846
Energy: 1.2719731442713964
Energy: 1.205551882129846
Energy: 1.0591036359819808
Energy: 1.2464674156346018
Energy: 0.9751378519859069
Energy: 1.2464674156346018
Energy: 1.0591036359819808
Energy: 1.2464674156346018
Energy: 0.9759120342418394
Energy: 1.246375412508345
Energy: 0.9386354256039597
Energy: 1.246375412508345
Energy: 0.9759120342426976
Energy: 1.246375412508345
Energy: 0.9390238270418194
Energy: 1.203862443012741
Energy: 0.938975430954395
Energy: 1.203862443012741
Energy: 0.9390238270418194
Energy: 1.203862443012741
Energy: 1.1363896578841834
Energy: 1.2741136763170848
Energy: 0.9429477395918491
Energy: 1.2741136763170848
Energy: 1.1363896578841834
Energy: 1.2741136763170848
Energy: 0.9748371298065353
Energy: 1.2473744298195055
Energy: 1.2354236202292819
Energy: 1.2473744298195055
Energy: 0.9748371298065353
Energy: 1.2473744298195055
Energy: 1.1340207698188038
Energy: 1.273809872410901
Energy: 1.2363280391132239
Energy: 1.273809872410901
Energy: 1.1340207698188038
Energy: 1.273809872410901
Energy: 0.9390514593970246
Energy: 1.2048948034212454
Energy: 1.2366442232973482
Energy: 1.2048948034212454
Energy: 0.9390514593970246
Energy: 1.2048948034212454
Energy: 0.974793094853448
Energy: 1.2738819724116408
Energy: 0.9426160552811212
Energy: 1.2738819724116408
Energy: 0.974793094853448
Energy: 1.2738819724116408
Energy: 0.9749171745266559
Energy: 1.2824824708964777
Energy: 1.2356156243958583
Energy: 1.2824824708964777
Energy: 0.9749171745266559
Energy: 1.2824824708964777
Energy: 0.9390196146032832
Energy: 1.2737407154640712
Energy: 0.9386602321797062
Energy: 1.2737407154640712
Energy: 0.9390196146032832
Energy: 1.2737407154640712

minimum gb energy = 0.9386354256039597 eV
minimum distance =  2.23418684881736 Angstroms
sigma value = 33


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

Energy: 1.1674307979296155
Energy: 1.155160893608692
Energy: 0.8785657314461995
Energy: 1.155160893608692
Energy: 1.1674307979296155
Energy: 1.1551608936080897
Energy: 1.7170826816191236
Energy: 1.0688812398468315
Energy: 0.8388341767108911
Energy: 1.0688812398468315
Energy: 1.7170826816191236
Energy: 1.0688812398462288
Energy: 1.1487438954725855
Energy: 1.161422417188259
Energy: 0.8574563670451049
Energy: 1.1614224171876564
Energy: 1.1487438954725855
Energy: 1.1614224171876564
Energy: 1.4339232120864303
Energy: 1.0492074618259812
Energy: 0.8386169146931459
Energy: 1.0492074618265834
Energy: 1.4339232120870327
Energy: 1.0492074618259812
Energy: 0.915655727139624
Energy: 1.1368081058720487
Energy: 0.8617763734186388
Energy: 1.1368081058726507
Energy: 0.915655727139624
Energy: 1.1368081058726507
Energy: 1.309732252605513
Energy: 1.1220699532287977
Energy: 0.8387891090897358
Energy: 1.1220699532294
Energy: 1.309732252605513
Energy: 1.1220699532287977
Energy: 0.9074024229656142
Energy: 1.1040682517072389
Energy: 0.838798793218179
Energy: 1.1040682517072389
Energy: 0.9074024229656142
Energy: 1.1040682517072389
Energy: 1.1759480744211133
Energy: 0.9935376250189926
Energy: 0.835219639976855
Energy: 0.9935376250177881
Energy: 1.1759480744211133
Energy: 0.9935376250171858
Energy: 0.8368444008812526
Energy: 1.1446167029578405
Energy: 1.0522978824906617
Energy: 1.1446167029590453
Energy: 0.8368444008812526
Energy: 1.1446167029590453
Energy: 1.0722587648189734
Energy: 1.158384620242956
Energy: 1.0472470261939326
Energy: 1.1583846202435584
Energy: 1.0722587648189734
Energy: 1.1583846202435584
Energy: 0.8389283566428513
Energy: 1.1232383753789206
Energy: 1.0477458361137597
Energy: 1.1232383753783182
Energy: 0.8389283566434536
Energy: 1.1232383753783182
Energy: 1.3247973666821025
Energy: 1.1577901006697564
Energy: 1.0564047378214874
Energy: 1.1577901006703588
Energy: 1.3247973666815005
Energy: 1.1577901006703588
Energy: 1.0543072008317258
Energy: 1.1444934772832545
Energy: 1.300056139302828
Energy: 1.1444934772838569
Energy: 1.0543072008311234
Energy: 1.1444934772838569
Energy: 1.077721436130967
Energy: 1.1766525338857705
Energy: 1.3033617357980218
Energy: 1.1766525338857705
Energy: 1.0777214361303644
Energy: 1.1766525338863727
Energy: 1.074056891772109
Energy: 1.1231958398404993
Energy: 1.3037324122873564
Energy: 1.1231958398411017
Energy: 1.0740568917727114
Energy: 1.1231958398411017
Energy: 1.0587398445554972
Energy: 1.157134812125809
Energy: 1.0563789534365455
Energy: 1.1571348121252065
Energy: 1.0587398445560996
Energy: 1.1571348121252065
Energy: 1.054444835497016
Energy: 1.152218303516628
Energy: 1.299765595481394
Energy: 1.1522183035172302
Energy: 1.054444835497016
Energy: 1.1522183035178322
Energy: 0.8439732228382146
Energy: 1.176443744870393
Energy: 1.0473125626043522
Energy: 1.1764437448709957
Energy: 0.8439732228376124
Energy: 1.1764437448709957
Energy: 1.0741408446199263
Energy: 1.1522820047750808
Energy: 1.0471063035947077
Energy: 1.1522820047750808
Energy: 1.0741408446199263
Energy: 1.1522820047744784
Energy: 0.8411997623905377
Energy: 1.1577105715146943
Energy: 0.8353200631405167
Energy: 1.1577105715146943
Energy: 0.8411997623905377
Energy: 1.1577105715146943
Energy: 1.0546793186516066
Energy: 1.1447993084646508
Energy: 1.051986671733801
Energy: 1.1447993084652535
Energy: 1.0546793186516066
Energy: 1.1447993084652535
Energy: 0.910742846100532
Energy: 1.1764356083743737
Energy: 0.8386491085326129
Energy: 1.1764356083743737
Energy: 0.910742846100532
Energy: 1.176435608374976
Energy: 1.3147553493747781
Energy: 1.1620684986375347
Energy: 0.8441647812004731
Energy: 1.1620684986363303
Energy: 1.3147553493747781
Energy: 1.1620684986363303
Energy: 0.9182261307139915
Energy: 1.1692487740927349
Energy: 0.8385697581984488
Energy: 1.1692487740927349
Energy: 0.9182261307139915
Energy: 1.1692487740927349
Energy: 1.2999243681087693
Energy: 1.1440877498142032
Energy: 1.055248279508475
Energy: 1.1440877498142032
Energy: 1.2999243681087693
Energy: 1.1440877498142032
Energy: 1.056465300139362
Energy: 1.1767881694236133
Energy: 0.8568266960402247
Energy: 1.1767881694236133
Energy: 1.056465300139362
Energy: 1.1767881694236133
Energy: 1.5808812263744756
Energy: 1.0479605163419987
Energy: 0.8438070413816855
Energy: 1.047960516342601
Energy: 1.5808812263744756
Energy: 1.047960516342601
Energy: 1.0802256409930149
Energy: 1.1750484092655167
Energy: 0.9748614759224955
Energy: 1.1750484092649143
Energy: 1.0802256409930149
Energy: 1.1750484092649143
Energy: 1.3021267649304995
Energy: 1.1224122203160083
Energy: 1.0553055852386022
Energy: 1.122412220317213
Energy: 1.3021267649304995
Energy: 1.1224122203166107
Energy: 1.0568373979458787
Energy: 1.176676686298433
Energy: 0.8908642912760614
Energy: 1.1766766862990352
Energy: 1.0568373979452765
Energy: 1.1766766862990352
Energy: 1.3120882510609728
Energy: 1.0464468016477801
Energy: 0.8438324086603182
Energy: 1.0464468016477801
Energy: 1.3120882510609728
Energy: 1.0464468016477801
Energy: 0.9179613931595794
Energy: 1.1585099112233324
Energy: 0.8576774960712062
Energy: 1.1585099112233324
Energy: 0.9179613931595794
Energy: 1.1585099112233324
Energy: 1.0539017611254913
Energy: 1.0988232739048898
Energy: 0.8409526371275193
Energy: 1.098823273905492
Energy: 1.0539017611248893
Energy: 1.0988232739048898
Energy: 0.9100162270741539
Energy: 1.1047875511658705
Energy: 1.0745578816600647
Energy: 1.1047875511658705
Energy: 0.9100162270735516
Energy: 1.1047875511658705
Energy: 1.07450360674192
Energy: 1.1046494831701354
Energy: 0.9102506094727294
Energy: 1.1046494831707379
Energy: 1.07450360674192
Energy: 1.1046494831707379
Energy: 0.8409575164162991
Energy: 1.0988045546382683
Energy: 1.0538469890680593
Energy: 1.0988045546382683
Energy: 0.8409575164169014
Energy: 1.0988045546382683
Energy: 0.8577715189444902
Energy: 1.1585117748069451
Energy: 0.9180417693783006
Energy: 1.1585117748069451
Energy: 0.8577715189444902
Energy: 1.158511774806343
Energy: 0.8438404019841638
Energy: 1.0464595350735912
Energy: 1.3122372944514136
Energy: 1.0464595350741939
Energy: 0.8438404019841638
Energy: 1.0464595350735912
Energy: 0.8908642912754591
Energy: 1.1766715947260482
Energy: 1.0567786335244764
Energy: 1.1766715947254462
Energy: 0.8908642912760614
Energy: 1.1766715947254462
Energy: 0.9435216541979227
Energy: 1.1226394866552702
Energy: 1.3021318230847478
Energy: 1.1226394866552702
Energy: 0.9435216541979227
Energy: 1.1226394866552702
Energy: 0.9748959280514444
Energy: 1.1750376396754278
Energy: 1.0801616449545204
Energy: 1.1750376396754278
Energy: 0.9748959280514444
Energy: 1.17503763967603
Energy: 0.8438241346830863
Energy: 0.996606502982235
Energy: 1.5804301951787973
Energy: 0.996606502982235
Energy: 0.8438241346830863
Energy: 0.996606502982235
Energy: 0.8568288929182885
Energy: 1.1767657455798763
Energy: 1.0566963045462068
Energy: 1.1767657455798763
Energy: 0.8568288929182885
Energy: 1.1767657455804785
Energy: 0.9432649263371929
Energy: 1.1440001264492385
Energy: 1.299949761005051
Energy: 1.1440001264504431
Energy: 0.9432649263371929
Energy: 1.1440001264504431
Energy: 0.8386129801049513
Energy: 1.16916840623442
Energy: 0.9182647462171373
Energy: 1.1691684062332155
Energy: 0.8386129801049513
Energy: 1.1691684062338175
Energy: 0.8441849989406192
Energy: 1.162068498638137
Energy: 1.3151727236689923
Energy: 1.1620684986375347
Energy: 0.8441849989400169
Energy: 1.162068498638137
Energy: 0.8385108202004227
Energy: 1.1766390231464967
Energy: 0.9107107801127715
Energy: 1.1766390231464967
Energy: 0.8385108202004227
Energy: 1.1766390231464967

minimum gb energy = 0.835219639976855 eV
minimum distance =  2.26711347195246 Angstroms
sigma value = 67


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

Energy: 0.252819054674554
Energy: 0.25361110996002717
Energy: 1.6782483335432392
Energy: 0.2536111099596155
Energy: 0.252819054674554
Energy: 0.2536111099592038
Energy: 0.2743461559514125
Energy: 0.8586799623141048
Energy: 0.6599043324517762
Energy: 0.858679962313693
Energy: 0.2743461559514125
Energy: 0.858679962313693
Energy: 0.252819054674554
Energy: 0.25361110996043884
Energy: 1.4734379913891684
Energy: 0.2536111099596155
Energy: 0.252819054674554
Energy: 0.25361110996002717
Energy: 0.2743461559514125
Energy: 0.858679962313693
Energy: 0.659904987663117
Energy: 0.858679962313693
Energy: 0.2743461559510465
Energy: 0.858679962313693
Energy: 0.252819054674554
Energy: 0.25361110996043884
Energy: 1.47343799138958
Energy: 0.2536111099596155
Energy: 0.25281905467414234
Energy: 0.25361110996002717
Energy: 0.2743461559510465
Energy: 0.8586799623132814
Energy: 0.6599053817678905
Energy: 0.8586799623132814
Energy: 0.27434615595182416
Energy: 0.858679962313693
Energy: 0.252819054674554
Energy: 0.25361110996002717
Energy: 1.4734379913891684
Energy: 0.25361110996002717
Energy: 0.252819054674554
Energy: 0.25361110996002717

minimum gb energy = 0.25281905467414234 eV
minimum distance =  2.4339068798779 Angstroms
sigma value = 3


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

Energy: 1.383728655116102
Energy: 1.1521810724016355
Energy: 0.9545800878323167
Energy: 1.1521810724010877
Energy: 1.383728655116102
Energy: 1.1521810724010877
Energy: 1.6519376943856443
Energy: 0.8615285016657612
Energy: 0.8521406895515473
Energy: 0.8615285016663089
Energy: 1.6519376943856443
Energy: 0.8615285016663089
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Energy: 1.110495101970554
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Energy: 0.8412910629346051
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Energy: 0.8546475234227948
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Energy: 1.082133546227751
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Energy: 1.2713232769496738
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Energy: 1.2823963355292853
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Energy: 1.3463511305273062
Energy: 1.1252829349866462
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Energy: 1.1265513906133864
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Energy: 1.2828857671759508
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Energy: 1.0819481136970777
Energy: 1.1163242577976984
Energy: 0.8517614706978226
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Energy: 1.126672908001633
Energy: 0.8545915853578021
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Energy: 1.2708046983523034
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Energy: 1.0629264249831216
Energy: 1.0833583084371157
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Energy: 1.090312469718348
Energy: 1.0262325922166988
Energy: 1.1266425491732897
Energy: 1.0290108791759984
Energy: 1.1266425491738372
Energy: 1.0262325922166988
Energy: 1.1266425491732897
Energy: 0.840971473676934
Energy: 1.0174107538472836
Energy: 1.2621697981250906
Energy: 1.0174107538467358
Energy: 0.840971473676934
Energy: 1.0174107538467358
Energy: 0.8403308568900653
Energy: 1.0925422887691498
Energy: 1.0455981860383141
Energy: 1.0925422887691498
Energy: 0.8403308568900653
Energy: 1.0925422887696974
Energy: 0.8592005769313058
Energy: 1.0327425154240204
Energy: 1.2622670318996827
Energy: 1.0327425154240204
Energy: 0.8592005769313058
Energy: 1.032742515424568
Energy: 0.842163654530098
Energy: 1.1268068096218884
Energy: 1.28098068486973
Energy: 1.1268068096213406
Energy: 0.842163654530098
Energy: 1.1268068096218884
Energy: 0.8412245355595408
Energy: 0.8578989513284494
Energy: 1.3968875677068262
Energy: 0.8578989513284494
Energy: 0.8412245355595408
Energy: 0.8578989513284494
Energy: 0.8566412341080968
Energy: 1.1473432816519598
Energy: 1.298944677902272
Energy: 1.147343281651412
Energy: 0.8566412341080968
Energy: 1.147343281651412
Energy: 0.859262980157838
Energy: 0.874187661071095
Energy: 1.4043001127328816
Energy: 0.8741876610705474
Energy: 0.8592629801583858
Energy: 0.8741876610705474
Energy: 0.8732478184774746
Energy: 1.126605694655454
Energy: 1.280799189655614
Energy: 1.126605694655454
Energy: 0.8732478184774746
Energy: 1.1266056946549061
Energy: 0.84117353898615
Energy: 0.8569384767252014
Energy: 1.3972205877056356
Energy: 0.8569384767257493
Energy: 0.84117353898615
Energy: 0.8569384767252014
Energy: 0.8564347896990264
Energy: 1.0926095245512568
Energy: 1.045582030831814
Energy: 1.0926095245518046
Energy: 0.8564347896990264
Energy: 1.0926095245518046
Energy: 0.8530198655530044
Energy: 1.0264269608175531
Energy: 1.150604875834844
Energy: 1.0264269608181011
Energy: 0.8530198655530044
Energy: 1.0264269608181011
Energy: 1.0401069010993464
Energy: 1.0865164986136653
Energy: 1.0283653968093125
Energy: 1.086516498614213
Energy: 1.0401069010987987
Energy: 1.0865164986136653

minimum gb energy = 0.8397318962768604 eV
minimum distance =  2.24192327336833 Angstroms
sigma value = 81


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

Energy: 1.445970190542209
Energy: 1.2994953511385208
Energy: 1.0569091148348886
Energy: 1.2994953511385208
Energy: 1.445970190542209
Energy: 1.2994953511385208
Energy: 1.547642533430153
Energy: 0.9537504534071439
Energy: 0.9360671434078071
Energy: 0.9537504534071439
Energy: 1.547642533430153
Energy: 0.9537504534071439
Energy: 1.3954330572319846
Energy: 1.2903963773750833
Energy: 1.1455947587651716
Energy: 1.2903963773750833
Energy: 1.3954330572319846
Energy: 1.290396377375835
Energy: 1.2843982454500764
Energy: 0.9942980736864059
Energy: 0.945788895797497
Energy: 0.9942980736849021
Energy: 1.2843982454493243
Energy: 0.9942980736849021
Energy: 1.070554058101659
Energy: 1.205777705280364
Energy: 1.0033028851767947
Energy: 1.2057777052796121
Energy: 1.0705540581009072
Energy: 1.2057777052796121
Energy: 1.2832857016369539
Energy: 1.195471764900774
Energy: 1.010688507884207
Energy: 1.1954717649000222
Energy: 1.2832857016369539
Energy: 1.1954717649000222
Energy: 1.0394770667454618
Energy: 1.198962100910133
Energy: 1.1543091075767158
Energy: 1.198962100910133
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Energy: 1.198962100910133
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Energy: 0.9406605301930294
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Energy: 1.3025008717584672
Energy: 1.2691178157983845
Energy: 0.9406605301930294
Energy: 1.2691178157983845
Energy: 0.9290164321073523
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Energy: 1.2960814200005244
Energy: 1.1669935168455363
Energy: 0.9290164321073523
Energy: 1.1669935168455363
Energy: 1.00686359347636
Energy: 1.2586621766071122
Energy: 1.3018222737404421
Energy: 1.258662176608616
Energy: 1.00686359347636
Energy: 1.258662176608616
Energy: 1.006248216214651
Energy: 1.1647250819254833
Energy: 1.2794681001600474
Energy: 1.164725081926235
Energy: 1.006248216214651
Energy: 1.164725081926987
Energy: 1.0113717330165155
Energy: 1.2691434733584908
Energy: 1.046436516018928
Energy: 1.2691434733577387
Energy: 1.0113717330165155
Energy: 1.2691434733584908
Energy: 1.0107183375257973
Energy: 1.2021184763479462
Energy: 1.1292448114547229
Energy: 1.2021184763479462
Energy: 1.0107183375250457
Energy: 1.2021184763479462
Energy: 1.2792876643963345
Energy: 1.2447266827609702
Energy: 1.020331261769094
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Energy: 1.279287664397086
Energy: 1.2447266827609702
Energy: 1.2805286126467197
Energy: 1.2587612121050449
Energy: 1.0016150007350346
Energy: 1.2587612121057967
Energy: 1.2805286126467197
Energy: 1.2587612121057967
Energy: 1.3518025814621908
Energy: 1.2693415007236517
Energy: 0.9441916333429399
Energy: 1.2693415007244033
Energy: 1.3518025814621908
Energy: 1.2693415007244033
Energy: 1.3511385154149271
Energy: 1.2606199598677148
Energy: 1.0631113517944286
Energy: 1.2606199598677148
Energy: 1.3511385154149271
Energy: 1.2606199598677148
Energy: 1.4690528210977347
Energy: 1.1958760679911287
Energy: 0.9385756393845375
Energy: 1.1958760679903766
Energy: 1.4690528210977347
Energy: 1.1958760679903766
Energy: 1.464855137208585
Energy: 1.2360279571570407
Energy: 0.9387709397552952
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Energy: 1.464855137208585
Energy: 1.2360279571570407
Energy: 1.3513263577748802
Energy: 1.260620040997701
Energy: 1.1618608777762087
Energy: 1.260620040998453
Energy: 1.3513263577748802
Energy: 1.260620040998453
Energy: 1.3403126474356757
Energy: 1.2693598081679338
Energy: 0.9437466121444146
Energy: 1.2693598081694375
Energy: 1.340312647434924
Energy: 1.2693598081694375
Energy: 1.2794128086235546
Energy: 1.2661406805009685
Energy: 1.0015164974747228
Energy: 1.266140680502472
Energy: 1.2794128086235546
Energy: 1.266140680502472
Energy: 1.281894498678324
Energy: 1.2449349543666735
Energy: 1.0208417742332583
Energy: 1.2449349543666735
Energy: 1.281894498678324
Energy: 1.244934954367425
Energy: 1.0109121867058688
Energy: 1.2026101012220065
Energy: 1.2862585848943076
Energy: 1.2026101012235102
Energy: 1.0109121867058688
Energy: 1.2026101012235102
Energy: 1.0113034977345559
Energy: 1.2691911846882629
Energy: 1.0548914427761038
Energy: 1.269191184687511
Energy: 1.0113034977345559
Energy: 1.269191184687511
Energy: 1.0065294705523327
Energy: 1.1647250819254833
Energy: 1.2308041669143335
Energy: 1.164725081926235
Energy: 1.0065294705523327
Energy: 1.164725081926235
Energy: 0.998735076649886
Energy: 1.2584593238941009
Energy: 1.3016282494844842
Energy: 1.2584593238948527
Energy: 0.9987350766506035
Energy: 1.2584593238948527
Energy: 0.928846826230099
Energy: 1.1699239551657612
Energy: 1.4566414201812294
Energy: 1.1699239551650096
Energy: 0.928846826230099
Energy: 1.1699239551650096
Energy: 0.9406070970062684
Energy: 1.2691371596475096
Energy: 1.3022875472006368
Energy: 1.2691371596475096
Energy: 0.9406070970062684
Energy: 1.2691371596475096
Energy: 0.932471099794879
Energy: 0.9303740956142559
Energy: 1.3820764277750555
Energy: 0.9303740956150078
Energy: 0.9324710997941272
Energy: 0.9303740956150078
Energy: 1.0292819064531396
Energy: 1.258467934029326
Energy: 1.3017973010611246
Energy: 1.2584679340285745
Energy: 1.0292819064531396
Energy: 1.2584679340285745
Energy: 0.9387757779746597
Energy: 0.9302124881278403
Energy: 1.3942609516224271
Energy: 0.9302124881278403
Energy: 0.9387757779746597
Energy: 0.9302124881278403
Energy: 1.0114819768244994
Energy: 1.194944275178225
Energy: 1.0547237946637884
Energy: 1.1949442751774733
Energy: 1.0114819768252514
Energy: 1.194944275178225
Energy: 1.039464073298766
Energy: 1.220268610828752
Energy: 1.1423760956985312
Energy: 1.2202686108280003
Energy: 1.039464073298766
Energy: 1.220268610828752

minimum gb energy = 0.928846826230099 eV
minimum distance =  2.18643185001805 Angstroms
sigma value = 43


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

Energy: 1.4668226046909267
Energy: 1.3593411118991203
Energy: 1.168027103792491
Energy: 1.3593411118991203
Energy: 1.4668226046909267
Energy: 1.3593411118991203
Energy: 1.3331848745117285
Energy: 1.0460611955342416
Energy: 0.9947003541443152
Energy: 1.0460611955342416
Energy: 1.3331848745117285
Energy: 1.0460611955342416
Energy: 1.0459752518646248
Energy: 1.288865393443292
Energy: 1.1278721671029186
Energy: 1.288865393443292
Energy: 1.0459752518646248
Energy: 1.288865393443292
Energy: 1.3362544152208846
Energy: 0.987489408429052
Energy: 0.9906700086224705
Energy: 0.987489408429052
Energy: 1.3362544152208846
Energy: 0.987489408429052
Energy: 0.9952629540002663
Energy: 1.297132465667426
Energy: 1.168382680322184
Energy: 1.297132465667426
Energy: 0.9952629540002663
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Energy: 1.0024329259230276
Energy: 1.2846391826174333
Energy: 0.9930942181726873
Energy: 1.2846391826174333
Energy: 1.002432925923951
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Energy: 0.9893207859632487
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Energy: 1.161458371374767
Energy: 1.1476018202553389
Energy: 0.9893207859632487
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Energy: 1.0680616137523364
Energy: 1.2745034348505873
Energy: 1.0452718028834205
Energy: 1.2745034348505873
Energy: 1.0680616137523364
Energy: 1.2745034348505873
Energy: 0.986871264669914
Energy: 1.151738438475979
Energy: 1.4562219148510438
Energy: 1.151738438475979
Energy: 0.986871264669914
Energy: 1.151738438475979
Energy: 1.003018475648288
Energy: 1.3480823972629254
Energy: 1.4183148096852913
Energy: 1.3480823972629254
Energy: 1.003018475648288
Energy: 1.3480823972629254
Energy: 0.9894526744043165
Energy: 1.3316142998771845
Energy: 1.1613658682674508
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Energy: 0.9894526744043165
Energy: 1.3316142998771845
Energy: 0.9874749088132102
Energy: 1.2737775938202585
Energy: 1.045724090433273
Energy: 1.2737775938202585
Energy: 0.9874749088132102
Energy: 1.2737775938202585
Energy: 0.9869020323884752
Energy: 0.9870421476623197
Energy: 1.261483529565128
Energy: 0.9870421476623197
Energy: 0.9869020323884752
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Energy: 0.9897820253515064
Energy: 1.348155548421275
Energy: 0.9934583277823968
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Energy: 0.9897820253515064
Energy: 1.348155548421275
Energy: 0.9893582335256317
Energy: 1.28125581630529
Energy: 0.9869394042508435
Energy: 1.2812558163062135
Energy: 0.9893582335256317
Energy: 1.2812558163062135
Energy: 1.3614543935218826
Energy: 1.1466448473680202
Energy: 0.9951917939140932
Energy: 1.1466448473680202
Energy: 1.3614543935218826
Energy: 1.1466448473680202
Energy: 1.385813569982316
Energy: 1.2725197629913396
Energy: 1.2747499967925726
Energy: 1.2725197629913396
Energy: 1.385813569982316
Energy: 1.2725197629913396
Energy: 1.4200674875175496
Energy: 1.3480588645637988
Energy: 0.9869303742580039
Energy: 1.3480588645647222
Energy: 1.4200674875175496
Energy: 1.3480588645647222
Energy: 1.422053805114862
Energy: 1.3465392709213253
Energy: 0.9872797958007501
Energy: 1.3465392709213253
Energy: 1.422053805114862
Energy: 1.3465392709213253
Energy: 1.359301080568015
Energy: 1.33270235665628
Energy: 0.9910862567359826
Energy: 1.33270235665628
Energy: 1.359301080568015
Energy: 1.33270235665628
Energy: 1.3856645895546187
Energy: 1.395475916740921
Energy: 0.9981273794575082
Energy: 1.395475916740921
Energy: 1.3856645895546187
Energy: 1.395475916740921
Energy: 0.9898782997057693
Energy: 1.280602021847621
Energy: 0.9868302577308751
Energy: 1.280602021847621
Energy: 0.9898782997057693
Energy: 1.280602021847621
Energy: 0.9895202778295145
Energy: 1.3463028857359312
Energy: 0.992089475509313
Energy: 1.3463028857368546
Energy: 0.9895202778295145
Energy: 1.3463028857368546
Energy: 0.987655999405418
Energy: 1.2820758457298422
Energy: 0.9896476580070424
Energy: 1.2820758457298422
Energy: 0.987655999405418
Energy: 1.2820758457298422
Energy: 0.9868015388935779
Energy: 1.3956859326943367
Energy: 1.0450356343101541
Energy: 1.3956859326943367
Energy: 0.9868015388935779
Energy: 1.3956859326943367
Energy: 0.9900397395504527
Energy: 1.3311777540837715
Energy: 1.3316951437128568
Energy: 1.3311777540837715
Energy: 0.9900397395504527
Energy: 1.3311777540837715
Energy: 1.0028463421079685
Energy: 1.346147183864406
Energy: 1.4184280752934502
Energy: 1.346147183864406
Energy: 1.0028463421079685
Energy: 1.346147183864406
Energy: 0.9877531030500185
Energy: 1.3224816874944905
Energy: 1.2323367219439896
Energy: 1.3224816874944905
Energy: 0.9877531030500185
Energy: 1.3224816874944905
Energy: 1.0674530025484994
Energy: 1.2731711089109223
Energy: 1.0450483071057464
Energy: 1.2731711089099988
Energy: 1.0674530025484994
Energy: 1.2731711089099988
Energy: 0.9899114215563994
Energy: 1.1467040927774792
Energy: 1.160583541710638
Energy: 1.1467040927774792
Energy: 0.989911421555476
Energy: 1.1467040927774792
Energy: 0.9872704496196439
Energy: 1.2836575324007047
Energy: 0.9916736286532231
Energy: 1.2836575324007047
Energy: 0.9872704496196439
Energy: 1.2836575324007047

minimum gb energy = 0.9868015388935779 eV
minimum distance =  2.23650782226743 Angstroms
sigma value = 57


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

Energy: 1.1364439069898977
Energy: 1.4459879726163685
Energy: 1.2910981444226368
Energy: 1.4459879726163685
Energy: 1.1364439069898977
Energy: 1.4459879726163685
Energy: 1.3171157993694689
Energy: 1.1440226497782253
Energy: 1.0591337264448157
Energy: 1.1440226497782253
Energy: 1.3171157993694689
Energy: 1.1440226497782253
Energy: 1.0564553591123633
Energy: 1.4480153259199693
Energy: 1.2220132156566108
Energy: 1.4480153259199693
Energy: 1.0564553591123633
Energy: 1.4480153259199693
Energy: 1.054772860142829
Energy: 1.0605698333244966
Energy: 1.059028069232112
Energy: 1.0605698333244966
Energy: 1.054772860142829
Energy: 1.0605698333244966
Energy: 1.0571000917997952
Energy: 1.062783896581927
Energy: 1.2092864503822678
Energy: 1.0627838965807312
Energy: 1.0571000917997952
Energy: 1.062783896581927
Energy: 1.0766519815742361
Energy: 1.4359811448578235
Energy: 1.05626554642871
Energy: 1.4359811448590192
Energy: 1.0766519815742361
Energy: 1.4359811448578235
Energy: 1.0590033255737743
Energy: 1.2683732289823255
Energy: 1.301293045620427
Energy: 1.2683732289823255
Energy: 1.0590033255737743
Energy: 1.2683732289823255
Energy: 1.0732866625961117
Energy: 1.4301673917179836
Energy: 1.137043145516785
Energy: 1.4301673917179836
Energy: 1.0732866625961117
Energy: 1.4301673917179836
Energy: 1.057393749467635
Energy: 1.1422159064517081
Energy: 1.208940982243945
Energy: 1.1422159064529038
Energy: 1.057393749467635
Energy: 1.1422159064529038
Energy: 1.0632270900346368
Energy: 1.4364982682377552
Energy: 1.0564603763767084
Energy: 1.4364982682377552
Energy: 1.0632270900346368
Energy: 1.4364982682377552
Energy: 1.0589510852708337
Energy: 1.0589799357001521
Energy: 1.0597972124856703
Energy: 1.0589799357001521
Energy: 1.0589510852708337
Energy: 1.0589799357001521
Energy: 1.0613444768315408
Energy: 1.2652359388806536
Energy: 1.0595168163353363
Energy: 1.2652359388794576
Energy: 1.0613444768315408
Energy: 1.2652359388794576
Energy: 1.057668393345736
Energy: 1.4341305934291917
Energy: 1.1282241722754438
Energy: 1.4341305934303874
Energy: 1.057668393345736
Energy: 1.4341305934303874
Energy: 1.3415079211843635
Energy: 1.4226944551577063
Energy: 1.0630408642352471
Energy: 1.4226944551577063
Energy: 1.3415079211843635
Energy: 1.4226944551577063
Energy: 1.6211470238151924
Energy: 1.4274337854264356
Energy: 1.0694393155564828
Energy: 1.4274337854264356
Energy: 1.6211470238151924
Energy: 1.4274337854264356
Energy: 1.0613909054989692
Energy: 1.477458569780044
Energy: 1.0598229849779064
Energy: 1.477458569780044
Energy: 1.0613909054989692
Energy: 1.477458569780044
Energy: 1.0582071426959785
Energy: 1.2666889364773806
Energy: 1.058912596052838
Energy: 1.2666889364761849
Energy: 1.0582071426959785
Energy: 1.2666889364761849
Energy: 1.0650250571810902
Energy: 1.2947876826371478
Energy: 1.0650453025271365
Energy: 1.2947876826371478
Energy: 1.0650250571810902
Energy: 1.2947876826371478
Energy: 1.0589114881185095
Energy: 1.2666888069918383
Energy: 1.0582066762887041
Energy: 1.2666888069918383
Energy: 1.0589114881185095
Energy: 1.2666888069918383
Energy: 1.0599566947481083
Energy: 1.4776815492335749
Energy: 1.0628863719775032
Energy: 1.4776815492335749
Energy: 1.0599566947481083
Energy: 1.4776815492335749
Energy: 1.0694226151307986
Energy: 1.4273074082459485
Energy: 1.621078401197415
Energy: 1.4273074082459485
Energy: 1.069422615131994
Energy: 1.4273074082459485
Energy: 1.0630703726480182
Energy: 1.2665651283464983
Energy: 1.3409101959852605
Energy: 1.2665651283464983
Energy: 1.0630703726480182
Energy: 1.2665651283464983
Energy: 1.151636217780247
Energy: 1.4341024658790933
Energy: 1.0576799890798414
Energy: 1.4341024658790933
Energy: 1.151636217780247
Energy: 1.4341024658790933
Energy: 1.0595123518369987
Energy: 1.2652609997474866
Energy: 1.0612975580122435
Energy: 1.2652609997474866
Energy: 1.0595123518369987
Energy: 1.2652609997474866

minimum gb energy = 1.054772860142829 eV
minimum distance =  2.24258238517711 Angstroms
sigma value = 17


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

Energy: 1.1103319874646824
Energy: 1.1088594360371988
Energy: 1.665278198070226
Energy: 1.1088594360371988
Energy: 1.1103319874629916
Energy: 1.1088594360371988
Energy: 1.1216746333933325
Energy: 1.1081266674089862
Energy: 1.1080821763886115
Energy: 1.1081266674089862
Energy: 1.1216746333950234
Energy: 1.1081266674089862
Energy: 1.1007573025278885
Energy: 1.1005956515469106
Energy: 1.1043814128799168
Energy: 1.1005956515469106
Energy: 1.1007573025278885
Energy: 1.1005956515469106
Energy: 1.1286476379104229
Energy: 1.1016374744647637
Energy: 1.1026286171262387
Energy: 1.1016374744647637
Energy: 1.1286476379104229
Energy: 1.1016374744647637
Energy: 1.1069956298586583
Energy: 1.1071017446173284
Energy: 1.4052906167531274
Energy: 1.1071017446173284
Energy: 1.1069956298586583
Energy: 1.1071017446173284
Energy: 1.1032832983646803
Energy: 1.1095915339779627
Energy: 1.1124620602430375
Energy: 1.1095915339779627
Energy: 1.1032832983646803
Energy: 1.1095915339779627
Energy: 1.1102229749261223
Energy: 1.2949248565869376
Energy: 1.1239940912689477
Energy: 1.2949248565869376
Energy: 1.1102229749261223
Energy: 1.2949248565869376
Energy: 1.1076992726385217
Energy: 1.2833550841855426
Energy: 1.1027112105573529
Energy: 1.2833550841855426
Energy: 1.1076992726385217
Energy: 1.2833550841855426
Energy: 1.106972243873436
Energy: 1.1040333161833078
Energy: 1.2925622351314974
Energy: 1.1040333161833078
Energy: 1.106972243873436
Energy: 1.1040333161833078
Energy: 1.1081364875294257
Energy: 1.0855534286570785
Energy: 1.1085908564268157
Energy: 1.0855534286570785
Energy: 1.1081364875294257
Energy: 1.0855534286570785
Energy: 1.1092423689286823
Energy: 1.3902352182811937
Energy: 1.1066025123050651
Energy: 1.3902352182811937
Energy: 1.1092423689286823
Energy: 1.3902352182811937
Energy: 1.1013180028536098
Energy: 1.1018677356741766
Energy: 1.1063230199717413
Energy: 1.1018677356741766
Energy: 1.1013180028536098
Energy: 1.1018677356741766
Energy: 1.1069690649700703
Energy: 1.2830215785259593
Energy: 1.1012755395589633
Energy: 1.2830215785259593
Energy: 1.1069690649700703
Energy: 1.2830215785259593
Energy: 1.1016244881667505
Energy: 1.1021967046044223
Energy: 1.1008235084459468
Energy: 1.1021967046044223
Energy: 1.1016244881667505
Energy: 1.1021967046044223
Energy: 1.1102645310828008
Energy: 1.394913063404828
Energy: 1.108441412536466
Energy: 1.394913063404828
Energy: 1.1102645310828008
Energy: 1.3949130634031368
Energy: 1.1065647322831869
Energy: 1.3894946418078367
Energy: 1.1081729486008156
Energy: 1.3894946418078367
Energy: 1.1065647322831869
Energy: 1.3894946418078367
Energy: 1.1072748938579693
Energy: 1.1015896695621754
Energy: 1.1007659759548805
Energy: 1.1015896695638665
Energy: 1.1072748938579693
Energy: 1.1015896695638665

minimum gb energy = 1.0855534286570785 eV
minimum distance =  2.25295289627241 Angstroms
sigma value = 17


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

Energy: 1.6673844778278004
Energy: 1.6611227075833535
Energy: 1.4145730719962422
Energy: 1.6611227075833535
Energy: 1.6673844778278004
Energy: 1.6611227075833535
Energy: 1.3776393662590445
Energy: 1.0890321861186103
Energy: 1.07762032533599
Energy: 1.0890321861186103
Energy: 1.3776393662596975
Energy: 1.0890321861179573
Energy: 1.081857760760039
Energy: 1.1873864188555787
Energy: 1.3401150149937535
Energy: 1.1873864188555787
Energy: 1.081857760760039
Energy: 1.1873864188555787
Energy: 1.0873837892181188
Energy: 1.0761378246507984
Energy: 1.2037920332000756
Energy: 1.0761378246501452
Energy: 1.0873837892181188
Energy: 1.0761378246501452
Energy: 1.0752606222317511
Energy: 1.1270428971547004
Energy: 1.3977234450247709
Energy: 1.1270428971540474
Energy: 1.0752606222317511
Energy: 1.1270428971547004
Energy: 1.2027760968288683
Energy: 1.088301087158613
Energy: 1.2340096986369207
Energy: 1.0883010871566539
Energy: 1.2027760968288683
Energy: 1.0883010871566539
Energy: 1.0784855184672444
Energy: 1.2070561583073784
Energy: 1.426031808416765
Energy: 1.2070561583080315
Energy: 1.0784855184672444
Energy: 1.2070561583073784
Energy: 1.3607386933041166
Energy: 1.0745875955459645
Energy: 1.0751564655648758
Energy: 1.0745875955459645
Energy: 1.3607386933041166
Energy: 1.0745875955466175
Energy: 1.238011473832383
Energy: 1.0817561379542748
Energy: 1.0899032375447362
Energy: 1.0817561379536218
Energy: 1.238011473832383
Energy: 1.0817561379542748
Energy: 1.3428282138417356
Energy: 1.1295176174363952
Energy: 1.0791219121125002
Energy: 1.1701077066651575
Energy: 1.3428282138410825
Energy: 1.1295176174357424
Energy: 1.2079708044847037
Energy: 1.0818810594010777
Energy: 1.1777752573094877
Energy: 1.0818810593984658
Energy: 1.2079708044853568
Energy: 1.0818810593997719
Energy: 1.086738924384332
Energy: 1.1052662292486264
Energy: 1.0814819490838037
Energy: 1.1052662292492794
Energy: 1.086738924384332
Energy: 1.1052662292486264
Energy: 1.079636238198436
Energy: 1.0763988287921322
Energy: 1.4000998745351878
Energy: 1.0763988287921322
Energy: 1.079636238198436
Energy: 1.0763988287921322
Energy: 1.0869371233417802
Energy: 1.5393576297485934
Energy: 1.6278929774109867
Energy: 1.5393576297479405
Energy: 1.0869371233411271
Energy: 1.5393576297479405
Energy: 1.0932700130256379
Energy: 1.656251222137974
Energy: 1.1951282888437382
Energy: 1.656251222137974
Energy: 1.0932700130249846
Energy: 1.656251222137974
Energy: 1.2021586807405253
Energy: 1.5845156786709327
Energy: 1.08155677009467
Energy: 1.6142613561464194
Energy: 1.2021586807405253
Energy: 1.3832291565619141
Energy: 1.2020465466704024
Energy: 1.3641529989237346
Energy: 1.079929540168994
Energy: 1.3641529989237346
Energy: 1.2020465466717085
Energy: 1.3641529989237346
Energy: 1.5810181790433284
Energy: 1.4053034932080617
Energy: 1.0906841743187
Energy: 1.4053034932080617
Energy: 1.5810181790433284
Energy: 1.4053034932080617
Energy: 1.5051061253786293
Energy: 1.393304920473417
Energy: 1.073393779763711
Energy: 1.39330492047407
Energy: 1.5051061253786293
Energy: 1.39330492047407
Energy: 1.0722470418125056
Energy: 1.1275452943807909
Energy: 1.072217362312117
Energy: 1.1700313351459395
Energy: 1.0722470418125056
Energy: 1.576704571190276
Energy: 1.0733691457732302
Energy: 1.3932685713840491
Energy: 1.3932092001368455
Energy: 1.3932685713860082
Energy: 1.0733691457732302
Energy: 1.3932685713853552
Energy: 1.091350193115235
Energy: 1.4052868775097656
Energy: 1.5810171760270868
Energy: 1.4052868775097656
Energy: 1.091350193115235
Energy: 1.4052868775097656
Energy: 1.089873148902326
Energy: 1.3642902295564334
Energy: 1.2020657490163231
Energy: 1.3642902295564334
Energy: 1.089873148902326
Energy: 1.3642902295564334
Energy: 1.081567615903609
Energy: 1.3315535264996667
Energy: 1.2022645109918453
Energy: 1.383045581336137
Energy: 1.081567615903609
Energy: 1.3315535264996667
Energy: 1.1950784632301616
Energy: 1.6562121855796772
Energy: 1.0778203820047216
Energy: 1.6562121855796772
Energy: 1.1950784632295088
Energy: 1.6562121855796772
Energy: 1.6279964607141129
Energy: 1.5390670210616506
Energy: 1.0871473513098668
Energy: 1.5390670210616506
Energy: 1.6279964607141129
Energy: 1.5390670210609976
Energy: 1.4003256990745159
Energy: 1.0764308142401449
Energy: 1.07963553801425
Energy: 1.0764308142394918
Energy: 1.4003256990732098
Energy: 1.0764308142394918
Energy: 1.0814831999361665
Energy: 1.1053722492626092
Energy: 1.086760922215967
Energy: 1.1053722492626092
Energy: 1.0814831999355132
Energy: 1.1053722492632623
Energy: 1.178191835065637
Energy: 1.0819318942779865
Energy: 1.2079794017602747
Energy: 1.0819318942799454
Energy: 1.1781918350662899
Energy: 1.0819318942799454
Energy: 1.0791305791789383
Energy: 1.1295176174377015
Energy: 1.34274991192328
Energy: 1.1295176174370485
Energy: 1.0791305791789383
Energy: 1.1295176174370485
Energy: 1.0898689351176671
Energy: 1.08214730675423
Energy: 1.2374969323558425
Energy: 1.08214730675423
Energy: 1.08986893511832
Energy: 1.0821473067535767
Energy: 1.0751566099479593
Energy: 1.074574390805119
Energy: 1.3607292470078542
Energy: 1.074574390805119
Energy: 1.0751566099473062
Energy: 1.074574390805119
Energy: 1.426130140384364
Energy: 1.2070795519619215
Energy: 1.0784828928176708
Energy: 1.2070795519625748
Energy: 1.426130140383711
Energy: 1.2070795519625748
Energy: 1.2338318383150142
Energy: 1.0882488329965543
Energy: 1.202752329582739
Energy: 1.0882488329978603
Energy: 1.2338318383156672
Energy: 1.0882488329965543
Energy: 1.3975507724986618
Energy: 1.1270428971540474
Energy: 1.0752522448935855
Energy: 1.1270428971540474
Energy: 1.3975507724986618
Energy: 1.1270428971540474
Energy: 1.2038203870163227
Energy: 1.076128470607726
Energy: 1.0874064293184487
Energy: 1.076128470607073
Energy: 1.2038203870163227
Energy: 1.076128470607073
Energy: 1.3398792818778398
Energy: 1.1874571628236277
Energy: 1.0818727862809374
Energy: 1.1874571628242807
Energy: 1.3398792818784928
Energy: 1.1874571628242807
Energy: 1.0776181094145338
Energy: 1.0890620391331551
Energy: 1.3772681533559885
Energy: 1.0890620391331551
Energy: 1.0776181094145338
Energy: 1.0890620391331551
Energy: 1.163162668805548
Energy: 1.6611227075833535
Energy: 1.6673844778284534
Energy: 1.6611227075840067
Energy: 1.1631626688035892
Energy: 1.6611227075840067
Energy: 1.07762032533599
Energy: 1.0890321861186103
Energy: 1.3776393662596975
Energy: 1.0890321861186103
Energy: 1.07762032533599
Energy: 1.0890321861186103
Energy: 1.3401150149944066
Energy: 1.1873864188555787
Energy: 1.081857760760039
Energy: 1.1873864188549255
Energy: 1.3401150149937535
Energy: 1.1873864188549255
Energy: 1.2037920332000756
Energy: 1.0761378246501452
Energy: 1.0873837892187719
Energy: 1.0761378246501452
Energy: 1.2037920332000756
Energy: 1.0761378246501452
Energy: 1.3977234450254237
Energy: 1.1270428971547004
Energy: 1.0752606222317511
Energy: 1.1270428971540474
Energy: 1.3977234450254237
Energy: 1.1270428971540474

minimum gb energy = 1.072217362312117 eV
minimum distance =  2.24775752489497 Angstroms
sigma value = 57


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

Energy: 1.2599925501991256
Energy: 1.6475289849001915
Energy: 1.4396955369261084
Energy: 1.6475289848991286
Energy: 1.2599925502001887
Energy: 1.6475289849001915
Energy: 1.1666104430786917
Energy: 1.0515228043379468
Energy: 1.052609241805729
Energy: 1.0515228043390097
Energy: 1.1666104430786917
Energy: 1.0515228043390097
Energy: 1.0432066019369646
Energy: 1.219023977757868
Energy: 1.341348567444909
Energy: 1.2190239777589313
Energy: 1.0432066019380277
Energy: 1.2190239777589313
Energy: 1.2988773661701596
Energy: 1.2209151557396545
Energy: 1.2215288581795458
Energy: 1.2209151557385913
Energy: 1.2988773661701596
Energy: 1.2209151557385913
Energy: 1.0477295666104627
Energy: 1.110654055373103
Energy: 1.2374105823459696
Energy: 1.1106540553709765
Energy: 1.0477295666104627
Energy: 1.1106540553720397
Energy: 1.233194790098051
Energy: 1.2208428173215058
Energy: 1.221604131126192
Energy: 1.220842817322569
Energy: 1.2331947900969877
Energy: 1.220842817322569
Energy: 1.0477825279566164
Energy: 1.220473655218911
Energy: 1.0545166755349287
Energy: 1.2204736552221005
Energy: 1.0477825279566164
Energy: 1.2204736552221005
Energy: 1.0429794398713095
Energy: 1.1163703986239673
Energy: 1.0527693484554597
Energy: 1.1163703986239673
Energy: 1.0429794398713095
Energy: 1.1163703986239673
Energy: 1.2637130806468793
Energy: 1.4815519399277826
Energy: 1.0521027860232564
Energy: 1.4815519399309725
Energy: 1.2637130806458161
Energy: 1.4815519399309725
Energy: 1.152983667533852
Energy: 1.0528066085544827
Energy: 1.0576943345899275
Energy: 1.0528066085544827
Energy: 1.152983667532789
Energy: 1.0528066085544827
Energy: 1.0477974968304604
Energy: 1.3568312638629905
Energy: 1.2053609172591857
Energy: 1.3568312638629905
Energy: 1.0477974968304604
Energy: 1.3568312638629905
Energy: 1.1117937874066584
Energy: 1.2073870528145147
Energy: 1.2289313600507066
Energy: 1.2073870528134516
Energy: 1.1117937874066584
Energy: 1.2073870528134516
Energy: 1.05095645860963
Energy: 1.219943396797622
Energy: 1.205769400579568
Energy: 1.219943396797622
Energy: 1.05095645860963
Energy: 1.219943396796559
Energy: 1.232969752551512
Energy: 1.3817378606166386
Energy: 1.2290227468123487
Energy: 1.3817378606166386
Energy: 1.2329697525504488
Energy: 1.3817378606166386
Energy: 1.0434370245739282
Energy: 1.222539834075635
Energy: 1.050575650328483
Energy: 1.2225398340766982
Energy: 1.043437024572865
Energy: 1.222539834075635
Energy: 1.4393068111808403
Energy: 1.462967869847722
Energy: 1.0579066711828262
Energy: 1.462967869847722
Energy: 1.4393068111808403
Energy: 1.4629678698487854
Energy: 1.2592450985325117
Energy: 1.4817892250795535
Energy: 1.0510246111390704
Energy: 1.4817892250795535
Energy: 1.2592450985303851
Energy: 1.4817892250806168
Energy: 1.2331666948400832
Energy: 1.2219907836233725
Energy: 1.0508472499830996
Energy: 1.2219907836233725
Energy: 1.2331666948400832
Energy: 1.2219907836233725
Energy: 1.0435332262712724
Energy: 1.3576165024002904
Energy: 1.220728972552703
Energy: 1.3576165023992273
Energy: 1.0435332262702093
Energy: 1.3576165023992273
Energy: 1.2186219221534742
Energy: 1.2235319399688183
Energy: 1.2206361081073454
Energy: 1.223531939967755
Energy: 1.2186219221534742
Energy: 1.2235319399666917
Energy: 1.0435958581161224
Energy: 1.2200200864485284
Energy: 1.2206990380719107
Energy: 1.2200200864485284
Energy: 1.0435958581161224
Energy: 1.2200200864485284
Energy: 1.0433312466069715
Energy: 1.3562497603679922
Energy: 1.2206677570528357
Energy: 1.3562497603690553
Energy: 1.0433312466069715
Energy: 1.3562497603701187
Energy: 1.0424102266133282
Energy: 1.2379856506282336
Energy: 1.0545160377541596
Energy: 1.2379856506282336
Energy: 1.0424102266143915
Energy: 1.2379856506282336
Energy: 1.2594583018791283
Energy: 1.4824762818004888
Energy: 1.050783305728506
Energy: 1.4824762817983623
Energy: 1.2594583018791283
Energy: 1.4824762817994257
Energy: 1.259737736483587
Energy: 1.4832779115634267
Energy: 1.0521067037325489
Energy: 1.4832779115623633
Energy: 1.2597377364857136
Energy: 1.4832779115613
Energy: 1.0431454051949356
Energy: 1.2367354825350936
Energy: 1.0518242993741302
Energy: 1.2367354825340302
Energy: 1.0431454051949356
Energy: 1.2367354825340302
Energy: 1.0428108334073471
Energy: 1.357150409397302
Energy: 1.2205220400163175
Energy: 1.3571504093962385
Energy: 1.0428108334073471
Energy: 1.3571504093962385

minimum gb energy = 1.0424102266133282 eV
minimum distance =  2.21397241192021 Angstroms
sigma value = 43


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

Energy: 1.3247551823503927
Energy: 1.131427439598954
Energy: 1.2626960109985912
Energy: 1.1314274395981798
Energy: 1.3247551823503927
Energy: 1.1314274395981798
Energy: 1.178061747327066
Energy: 1.1186364593892062
Energy: 1.1034178970551896
Energy: 1.1186364593892062
Energy: 1.1780617473262913
Energy: 1.1186364593892062
Energy: 1.1024710213437587
Energy: 1.2526698895910646
Energy: 1.1076215237657099
Energy: 1.2526698895910646
Energy: 1.1024710213445332
Energy: 1.2526698895910646
Energy: 1.3333907508076412
Energy: 1.1108533418127762
Energy: 1.267186548997809
Energy: 1.1108533418127762
Energy: 1.3333907508076412
Energy: 1.1108533418127762
Energy: 1.0995889913609571
Energy: 1.1748972585706907
Energy: 1.2311527846613708
Energy: 1.1748972585706907
Energy: 1.0995889913609571
Energy: 1.1748972585706907
Energy: 1.2318296477907071
Energy: 1.2397260582029552
Energy: 1.1260091191849693
Energy: 1.2397260582029552
Energy: 1.2318296477907071
Energy: 1.2397260582029552
Energy: 1.1283358417585927
Energy: 1.240817444968467
Energy: 1.11875319439102
Energy: 1.240817444968467
Energy: 1.1283358417585927
Energy: 1.240817444968467
Energy: 1.2535381682998947
Energy: 1.1746418065137338
Energy: 1.0996993485239537
Energy: 1.1746418065137338
Energy: 1.2535381682998947
Energy: 1.1746418065137338
Energy: 1.2690746849155239
Energy: 1.1023395112181134
Energy: 1.266413812537351
Energy: 1.1023395112181134
Energy: 1.2690746849155239
Energy: 1.1023395112173386
Energy: 1.3400490219470746
Energy: 1.2526327767018322
Energy: 1.102203119169034
Energy: 1.2526327767018322
Energy: 1.3400490219470746
Energy: 1.2526327767018322
Energy: 1.1049594389348083
Energy: 1.1783999858594745
Energy: 1.500909038873853
Energy: 1.1783999858594745
Energy: 1.1049594389348083
Energy: 1.1783999858594745
Energy: 1.118447787815876
Energy: 1.1247364624057496
Energy: 1.3240473120675038
Energy: 1.1247364624049747
Energy: 1.1184477878151011
Energy: 1.1247364624065244
Energy: 1.102358044789235
Energy: 1.120655131759456
Energy: 1.2527793180086806
Energy: 1.120655131759456
Energy: 1.102358044789235
Energy: 1.120655131759456
Energy: 1.2581996255968637
Energy: 1.1065419728938781
Energy: 1.1022133250424082
Energy: 1.1065419728938781
Energy: 1.2581996255960892
Energy: 1.1065419728938781
Energy: 1.2658850464268279
Energy: 1.3063013464298412
Energy: 1.1101524532801852
Energy: 1.306301346430616
Energy: 1.2658850464268279
Energy: 1.306301346430616
Energy: 1.2400283097204017
Energy: 1.2595422401145544
Energy: 1.0982994685954963
Energy: 1.2595422401145544
Energy: 1.2400283097204017
Energy: 1.2595422401145544
Energy: 1.124944773398577
Energy: 1.12521328588001
Energy: 1.2397198983567383
Energy: 1.1252132858792352
Energy: 1.124944773398577
Energy: 1.12521328588001
Energy: 1.1243865877188344
Energy: 1.2480438196370829
Energy: 1.1248689351098233
Energy: 1.2480438196370829
Energy: 1.1243865877188344
Energy: 1.2480438196370829
Energy: 1.114073362290416
Energy: 1.1188185805854185
Energy: 1.2659197191716656
Energy: 1.1188185805854185
Energy: 1.1140733622911907
Energy: 1.118818580584644
Energy: 1.1018970251253783
Energy: 1.2729211884029894
Energy: 1.266061021899095
Energy: 1.2729211884029894
Energy: 1.1018970251253783
Energy: 1.27292118840225
Energy: 1.102132259122574
Energy: 1.2681408375609815
Energy: 1.117945082451162
Energy: 1.2681408375609815
Energy: 1.1021322591233484
Energy: 1.2681408375609815
Energy: 1.4901995845860792
Energy: 1.1094355194764054
Energy: 1.1025674570680315
Energy: 1.1094355194756307
Energy: 1.4901995845868536
Energy: 1.1094355194756307
Energy: 1.7631653501906617
Energy: 1.4121693143297671
Energy: 1.117955604598894
Energy: 1.4121693143297671
Energy: 1.7631653501906617
Energy: 1.4121693143297671
Energy: 1.1018384066479245
Energy: 1.2658975405330264
Energy: 1.1179301036235578
Energy: 1.2658975405322517
Energy: 1.1018384066486995
Energy: 1.2658975405322517
Energy: 1.1022051814925233
Energy: 1.4323440490261576
Energy: 1.2663493022817227
Energy: 1.4323440490261576
Energy: 1.1022051814917486
Energy: 1.4323440490261576
Energy: 1.1140547440627107
Energy: 1.472902664230146
Energy: 1.2661020290022633
Energy: 1.4729026642309206
Energy: 1.1140547440627107
Energy: 1.472902664230146
Energy: 1.1236212214774832
Energy: 1.260488324435414
Energy: 1.2465506473139616
Energy: 1.2604883244346392
Energy: 1.1236212214767085
Energy: 1.2604883244338645
Energy: 1.2467001672910354
Energy: 1.2480171679483907
Energy: 1.2466885485908386
Energy: 1.2480171679483907
Energy: 1.2467001672902607
Energy: 1.2480171679483907
Energy: 1.2465628487909304
Energy: 1.2561050096940207
Energy: 1.1061440906009994
Energy: 1.2561050096940207
Energy: 1.2465628487909304
Energy: 1.2561050096940207
Energy: 1.266215074314723
Energy: 1.472755358898536
Energy: 1.1140136147143693
Energy: 1.472755358898536
Energy: 1.266215074314723
Energy: 1.472755358898536
Energy: 1.2664304162010684
Energy: 1.4324556619218334
Energy: 1.102184279302416
Energy: 1.4324556619218334
Energy: 1.2664304162010684
Energy: 1.4324556619218334
Energy: 1.1179524862570738
Energy: 1.2659226464515008
Energy: 1.1018288005882564
Energy: 1.2659226464522755
Energy: 1.1179524862570738
Energy: 1.2659226464522755
Energy: 1.1179686328977168
Energy: 1.4121580681756813
Energy: 1.538783211509484
Energy: 1.4121580681756813
Energy: 1.1179686328984915
Energy: 1.4121580681756813
Energy: 1.1025727916023513
Energy: 1.1093034432353783
Energy: 1.4905056042214606
Energy: 1.1093034432361526
Energy: 1.1025727916023513
Energy: 1.1093034432353783
Energy: 1.117934206629399
Energy: 1.268295833141633
Energy: 1.1021260950244565
Energy: 1.2682958331424075
Energy: 1.117934206629399
Energy: 1.2682958331424075
Energy: 1.265949648194991
Energy: 1.2729000253267555
Energy: 1.1019003691489186
Energy: 1.2729000253267555
Energy: 1.265949648194991
Energy: 1.2729000253267555

minimum gb energy = 1.0982994685954963 eV
minimum distance =  2.26066093367196 Angstroms
sigma value = 81


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

Energy: 1.1627373111233077
Energy: 1.163205416094135
Energy: 1.7428989964393815
Energy: 1.163205416094135
Energy: 1.1627373111233077
Energy: 1.163205416094135
Energy: 1.1629686055131052
Energy: 1.1633091489446816
Energy: 1.1627731597194808
Energy: 1.1633091489446816
Energy: 1.162968605512814
Energy: 1.1633091489446816
Energy: 1.1627704621283048
Energy: 1.1632438142121113
Energy: 1.1635147648233328
Energy: 1.16324381421182
Energy: 1.1627704621285633
Energy: 1.163243814211529
Energy: 1.3249881412189872
Energy: 1.1632054160947172
Energy: 1.162737311123599
Energy: 1.163205416094426
Energy: 1.3249881412192783
Energy: 1.163205416094426
Energy: 1.1627731597194808
Energy: 1.163309148944423
Energy: 1.1629686055131052
Energy: 1.163309148944423
Energy: 1.1627731597191902
Energy: 1.163309148944423
Energy: 1.1635147648236241
Energy: 1.16324381421182
Energy: 1.1627704621283048
Energy: 1.163243814211529
Energy: 1.1635147648233328
Energy: 1.16324381421182
Energy: 1.1627373111233077
Energy: 1.163205416094135
Energy: 1.3249881412189872
Energy: 1.1632054160947172
Energy: 1.1627373111233077
Energy: 1.163205416094426
Energy: 1.1629686055131052
Energy: 1.1633091489446816
Energy: 1.1627731597194808
Energy: 1.163309148944423
Energy: 1.1629686055131052
Energy: 1.163309148944423
Energy: 1.1627704621285633
Energy: 1.163243814211529
Energy: 1.1635147648233328
Energy: 1.16324381421182
Energy: 1.1627704621285633
Energy: 1.16324381421182
Energy: 1.3249881412186963
Energy: 1.163205416094426
Energy: 1.1627373111233077
Energy: 1.163205416094426
Energy: 1.3249881412189872
Energy: 1.163205416094426

minimum gb energy = 1.1627373111233077 eV
minimum distance =  2.22621497662118 Angstroms
sigma value = 3


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

Energy: 1.5784413879276022
Energy: 1.149100626331627
Energy: 1.1263956438525915
Energy: 1.1491006263324788
Energy: 1.5784413879276022
Energy: 1.1491006263324788
Energy: 1.2754968456462699
Energy: 1.1098818457439192
Energy: 1.060398818549346
Energy: 1.1098818457422157
Energy: 1.2754968456241234
Energy: 1.1098818457422157
Energy: 1.0811187672271265
Energy: 1.0808092254805166
Energy: 1.1661524394827147
Energy: 1.0808092254805166
Energy: 1.0811187672271265
Energy: 1.0808092254805166
Energy: 1.6095234624182948
Energy: 1.3699271553764933
Energy: 1.1141686294475261
Energy: 1.369927155378197
Energy: 1.6095234624182948
Energy: 1.3699271553764933
Energy: 1.0891540860020832
Energy: 1.0858776275330604
Energy: 1.0565941550003315
Energy: 1.0858776275322086
Energy: 1.0891540860020832
Energy: 1.0858776275322086
Energy: 1.27940185941142
Energy: 1.1545968715259498
Energy: 1.0622889901224082
Energy: 1.1545968715276533
Energy: 1.2794018594105683
Energy: 1.1545968715276533
Energy: 1.0892001910409455
Energy: 1.0861573767688
Energy: 1.1025879015789055
Energy: 1.0861573767679482
Energy: 1.0892001910409455
Energy: 1.0861573767679482
Energy: 1.0736880153307589
Energy: 1.3714478506740075
Energy: 1.1120469616259565
Energy: 1.3714478506748595
Energy: 1.073688015329907
Energy: 1.371447850675711
Energy: 1.0810477734961006
Energy: 1.0800926862130595
Energy: 1.4635206295676335
Energy: 1.0800926862130595
Energy: 1.0810477734961006
Energy: 1.0800926862130595
Energy: 1.0810121807878614
Energy: 1.110138963483436
Energy: 1.0588130604959893
Energy: 1.110138963483436
Energy: 1.0810121807878614
Energy: 1.110138963483436
Energy: 1.458638630412039
Energy: 1.0586776581034758
Energy: 1.1012419861006695
Energy: 1.058677658102624
Energy: 1.458638630412039
Energy: 1.058677658102624
Energy: 1.4559554688687175
Energy: 1.1989138612654264
Energy: 1.058851496517774
Energy: 1.1989138612645749
Energy: 1.4559554688678658
Energy: 1.1989138612645749
Energy: 1.0811669151258345
Energy: 1.1812473227900455
Energy: 1.05873889626538
Energy: 1.1812473227900455
Energy: 1.0811669151258345
Energy: 1.1812473227900455
Energy: 1.0798231260078033
Energy: 1.2160336577653272
Energy: 1.1121762927850847
Energy: 1.2160336577661792
Energy: 1.0798231260078033
Energy: 1.2160336577661792
Energy: 1.0855102013661588
Energy: 1.2053005397775918
Energy: 1.1123045658989101
Energy: 1.20530053977674
Energy: 1.0855102013661588
Energy: 1.20530053977674
Energy: 1.0858346174386688
Energy: 1.1099943178475937
Energy: 1.0604703340030774
Energy: 1.1099943178484455
Energy: 1.0858346174386688
Energy: 1.1099943178484455
Energy: 1.0856169211297895
Energy: 1.1057102237497671
Energy: 1.060605318485947
Energy: 1.1057102237497671
Energy: 1.0856169211297895
Energy: 1.1057102237489154
Energy: 1.0856618112705025
Energy: 1.2349519314983173
Energy: 1.112075021474116
Energy: 1.2349519314983173
Energy: 1.0856618112705025
Energy: 1.2349519314991688
Energy: 1.0807028320105674
Energy: 1.2148871832095187
Energy: 1.1121010890918714
Energy: 1.2148871832095187
Energy: 1.0807028320105674
Energy: 1.2148871832086672
Energy: 1.0809571673227636
Energy: 1.110236932630691
Energy: 1.0587124417783849
Energy: 1.110236932630691
Energy: 1.0809571673227636
Energy: 1.110236932630691
Energy: 1.4585680132321022
Energy: 1.1988046961324852
Energy: 1.0587242224633082
Energy: 1.1988046961324852
Energy: 1.4585680132329537
Energy: 1.1988046961324852
Energy: 1.4580325229869198
Energy: 1.0578514230431888
Energy: 1.1019498121733795
Energy: 1.0578514230423373
Energy: 1.458032522986068
Energy: 1.0578514230431888
Energy: 1.0808020590909448
Energy: 1.1101474705751202
Energy: 1.058781243494214
Energy: 1.1101474705751202
Energy: 1.0808020590909448
Energy: 1.1101474705751202
Energy: 1.0810001964093667
Energy: 1.079905823310619
Energy: 1.4633132996583227
Energy: 1.0799058233097674
Energy: 1.0810001964093667
Energy: 1.0799058233097674
Energy: 1.077082593110722
Energy: 1.23544736081747
Energy: 1.112026163394916
Energy: 1.2354473608191736
Energy: 1.0770825931115737
Energy: 1.2354473608183216
Energy: 1.0854264918950152
Energy: 1.1059052987042945
Energy: 1.156162991823998
Energy: 1.1059052987034428
Energy: 1.0854264918950152
Energy: 1.105905298702591
Energy: 1.0748772315075992
Energy: 1.1100747904635346
Energy: 1.0605608310182022
Energy: 1.1100747904635346
Energy: 1.0748772315075992
Energy: 1.1100747904635346
Energy: 1.0853546212986345
Energy: 1.204774494880586
Energy: 1.0565324632329385
Energy: 1.2047744948797343
Energy: 1.0853546212977827
Energy: 1.204774494880586
Energy: 1.1822576472498973
Energy: 1.370309748756561
Energy: 1.1121281603639899
Energy: 1.3703097487599294
Energy: 1.1822576472498973
Energy: 1.3703097487599294
Energy: 1.081837783163975
Energy: 1.0809117835675361
Energy: 1.2690610320612303
Energy: 1.0809117835658324
Energy: 1.081837783163975
Energy: 1.0809117835658324
Energy: 1.2802748030972875
Energy: 1.1099958568301014
Energy: 1.058903478599796
Energy: 1.1099958568318047
Energy: 1.280274803098139
Energy: 1.1099958568318047
Energy: 1.4558429629720353
Energy: 1.2027741624109918
Energy: 1.101127689110422
Energy: 1.2027741624101396
Energy: 1.4558429629737386
Energy: 1.2027741624101396
Energy: 1.2606128273569308
Energy: 1.110771223227989
Energy: 1.0594063481933147
Energy: 1.110771223227989
Energy: 1.2606128273603379
Energy: 1.110771223227989

minimum gb energy = 1.0565324632329385 eV
minimum distance =  2.2298022386274 Angstroms
sigma value = 67


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

Energy: 1.0609366858929632
Energy: 1.0666232180524928
Energy: 1.056117906134159
Energy: 1.0666232180537065
Energy: 1.0609366858929632
Energy: 1.0666232180537065
Energy: 1.2611400602280856
Energy: 1.0178879679862798
Energy: 1.0085377483353861
Energy: 1.0178879679862798
Energy: 1.261140060230513
Energy: 1.0178879679862798
Energy: 1.021977809854739
Energy: 1.1103993438982747
Energy: 1.262303920277682
Energy: 1.1103993438982747
Energy: 1.021977809854739
Energy: 1.1103993438982747
Energy: 1.5860964558616601
Energy: 1.3566331543653791
Energy: 1.0042388784284433
Energy: 1.3566331543641654
Energy: 1.5860964558628738
Energy: 1.3566331543653791
Energy: 1.0078433361484604
Energy: 1.3570072345862378
Energy: 1.5778832307245407
Energy: 1.3570072345862378
Energy: 1.0078433361484604
Energy: 1.357007234589879
Energy: 1.0022055948605546
Energy: 1.0190384844995266
Energy: 1.0086720503419215
Energy: 1.0190384844995266
Energy: 1.0022055948605546
Energy: 1.0190384844995266
Energy: 1.0211283503466273
Energy: 1.0183291945779724
Energy: 1.022259605358488
Energy: 1.0183291945779724
Energy: 1.0211283503466273
Energy: 1.0183291945779724
Energy: 1.0178058593593384
Energy: 1.32140850600471
Energy: 1.6191045216022995
Energy: 1.3214085060034964
Energy: 1.0178058593593384
Energy: 1.3214085060034964
Energy: 1.0180054555959042
Energy: 1.0917549262011415
Energy: 1.4939569933697858
Energy: 1.091754926199928
Energy: 1.0180054555946907
Energy: 1.091754926199928
Energy: 1.018228807932188
Energy: 1.0206517070696353
Energy: 1.024820193144755
Energy: 1.0206517070696353
Energy: 1.018228807932188
Energy: 1.0206517070696353
Energy: 1.001580517060777
Energy: 1.0207561872863706
Energy: 1.0184043159603768
Energy: 1.0207561872863706
Energy: 1.001580517060777
Energy: 1.0207561872863706
Energy: 1.0017595751270192
Energy: 1.1017827433963328
Energy: 1.0017710297640894
Energy: 1.1017827433963328
Energy: 1.0017595751270192
Energy: 1.1017827433963328
Energy: 1.0184636198576726
Energy: 1.0197923664166069
Energy: 1.0017513755951635
Energy: 1.0197923664166069
Energy: 1.0184636198576726
Energy: 1.0197923664166069
Energy: 1.0248220924953946
Energy: 1.0208482151766445
Energy: 1.0182271173551989
Energy: 1.0208482151778582
Energy: 1.0248220924953946
Energy: 1.0208482151766445
Energy: 1.4937604162429872
Energy: 1.0917366895956067
Energy: 1.0180576495845497
Energy: 1.0917366895956067
Energy: 1.4937604162442006
Energy: 1.0917366895956067
Energy: 1.6187894094372641
Energy: 1.3214254097295883
Energy: 1.0177905180736493
Energy: 1.321425409730802
Energy: 1.6187894094372641
Energy: 1.321425409730802
Energy: 1.0223807759869195
Energy: 1.0183315839167086
Energy: 1.002831580497056
Energy: 1.0183315839167086
Energy: 1.0223807759869195
Energy: 1.0183315839167086
Energy: 1.0086943363014753
Energy: 1.0190018858656262
Energy: 1.0024089691492855
Energy: 1.0190018858656262
Energy: 1.0086943363014753
Energy: 1.0190018858656262
Energy: 1.577880731534947
Energy: 1.3568542473812288
Energy: 1.0078117251039331
Energy: 1.3568542473812288
Energy: 1.577880731534947
Energy: 1.3568542473812288
Energy: 1.004251765776362
Energy: 1.3564644915605273
Energy: 1.586019266877866
Energy: 1.3564644915605273
Energy: 1.004251765776362
Energy: 1.3564644915605273
Energy: 1.2624827289746616
Energy: 1.1103993438982747
Energy: 1.0026579904486546
Energy: 1.110399343897061
Energy: 1.262482728973448
Energy: 1.110399343897061
Energy: 1.0082615875955279
Energy: 1.0179327569878491
Energy: 1.2620530061939017
Energy: 1.0179327569878491
Energy: 1.0082615875955279
Energy: 1.0179327569878491
Energy: 1.3568446761679314
Energy: 1.0666232180537065
Energy: 1.0609366858941771
Energy: 1.0666232180549202
Energy: 1.3568446761679314
Energy: 1.0666232180537065

minimum gb energy = 1.001580517060777 eV
minimum distance =  2.26173080278576 Angstroms
sigma value = 33


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

Energy: 1.34312647293683
Energy: 0.9710375497578445
Energy: 1.532331152268818
Energy: 0.9710375497578445
Energy: 1.34312647293683
Energy: 0.9710375497578445
Energy: 1.4594323050556695
Energy: 0.951262134661741
Energy: 0.9253570877119258
Energy: 0.951262134661741
Energy: 1.4594323050556695
Energy: 0.951262134661741
Energy: 0.933423457623989
Energy: 1.0166482845214988
Energy: 1.451516758156307
Energy: 1.0166482845214988
Energy: 0.933423457623989
Energy: 1.0166482845214988
Energy: 1.02283780926484
Energy: 1.100093004174827
Energy: 0.9342350707140666
Energy: 1.100093004174827
Energy: 1.02283780926484
Energy: 1.100093004174827
Energy: 1.279066087439056
Energy: 0.9423490901327599
Energy: 1.2882925344898835
Energy: 0.9423490901350698
Energy: 1.279066087438286
Energy: 0.94234909013353
Energy: 1.2839210027937793
Energy: 1.1532620513148868
Energy: 0.9300719498458706
Energy: 1.153262051314117
Energy: 1.2839210027937793
Energy: 1.1532620513148868
Energy: 0.934099834903245
Energy: 0.9526545149271327
Energy: 0.9505247082752535
Energy: 0.9526545149271327
Energy: 0.934099834903245
Energy: 0.9526545149271327
Energy: 0.950312191058396
Energy: 0.9251113776281151
Energy: 1.2853339977078644
Energy: 0.9251113776296549
Energy: 0.950312191059166
Energy: 0.9251113776288851
Energy: 1.2892586162461597
Energy: 1.197669319001354
Energy: 1.2823770910390566
Energy: 1.197669319002124
Energy: 1.2892586162461597
Energy: 1.1976693190028935
Energy: 0.9328637761154953
Energy: 0.953543878438965
Energy: 0.930294830602893
Energy: 1.0981889119789572
Energy: 0.9328637761154953
Energy: 0.953543878438965
Energy: 0.9215973573567805
Energy: 1.057542373970802
Energy: 0.9573975690608264
Energy: 1.057542373970802
Energy: 0.9215973573567805
Energy: 1.057542373970802
Energy: 0.9241986830589554
Energy: 1.0238701277561988
Energy: 1.483031344788382
Energy: 1.0238701277569686
Energy: 0.9241986830589554
Energy: 1.0238701277569686
Energy: 1.335269542908432
Energy: 0.9510700020454816
Energy: 1.3060633196554339
Energy: 0.9510700020454816
Energy: 1.335269542908432
Energy: 0.9510700020454816
Energy: 0.9256634713651628
Energy: 1.1238490817387699
Energy: 0.9398580445500881
Energy: 1.1238490817387699
Energy: 0.9256634713651628
Energy: 1.1238490817395397
Energy: 1.2883404887957568
Energy: 1.0189792280594836
Energy: 0.9290930758987453
Energy: 1.0189792280594836
Energy: 1.2883404887949867
Energy: 1.0189792280594836
Energy: 0.9346002637020472
Energy: 0.9260639484881678
Energy: 1.4814320642332786
Energy: 0.9260639484881678
Energy: 0.9346002637020472
Energy: 0.9260639484873977
Energy: 1.5320197498821966
Energy: 0.9632261221726458
Energy: 1.314712063426278
Energy: 0.9632261221726458
Energy: 1.5320197498814268
Energy: 0.9632261221718759
Energy: 0.9299579371146469
Energy: 0.9504955018706513
Energy: 1.213445589888384
Energy: 0.9504955018706513
Energy: 0.9299579371146469
Energy: 0.9504955018706513
Energy: 1.197820448393638
Energy: 0.9499588558901291
Energy: 0.9290224405433674
Energy: 0.9499588558901291
Energy: 1.197820448393638
Energy: 0.9499588558901291
Energy: 1.2786968598256905
Energy: 0.9443142022735871
Energy: 0.9537262513276443
Energy: 0.9443142022743568
Energy: 1.2786968598256905
Energy: 0.9443142022743568
Energy: 1.4467015602624076
Energy: 1.1844556931662142
Energy: 0.9312864173412313
Energy: 1.1844556931662142
Energy: 1.4467015602624076
Energy: 1.184455693166984
Energy: 0.9305552311138723
Energy: 0.9513257018517366
Energy: 1.2909688474288097
Energy: 0.9513257018525065
Energy: 0.9305552311138723
Energy: 0.9513257018525065
Energy: 0.9549352604264563
Energy: 0.9554148909146887
Energy: 0.9294164936329683
Energy: 0.9554148909146887
Energy: 0.9549352604264563
Energy: 0.9554148909146887
Energy: 1.306655170998727
Energy: 1.1907481683324923
Energy: 0.921653264479141
Energy: 1.1907481683324923
Energy: 1.306655170999497
Energy: 1.1907481683332624
Energy: 1.5328125097728404
Energy: 1.0228809728470032
Energy: 0.9214578809902706
Energy: 1.0228809728470032
Energy: 1.5328125097705307
Energy: 1.0228809728470032
Energy: 0.9596816941298699
Energy: 1.1822669367165148
Energy: 0.9249547725952494
Energy: 1.1822669367165148
Energy: 0.9596816941298699
Energy: 1.1822669367165148
Energy: 0.9283279217166522
Energy: 0.9530271043471046
Energy: 1.289838217884883
Energy: 0.9530271043478746
Energy: 0.9283279217174223
Energy: 0.9530271043478746
Energy: 1.283449215016951
Energy: 1.1904089844048746
Energy: 0.9323809461769532
Energy: 1.1904089844048746
Energy: 1.283449215016951
Energy: 1.1904089844048746
Energy: 1.2791867443369251
Energy: 0.9256312426082353
Energy: 0.9511553343927954
Energy: 0.925631242609775
Energy: 1.2791867443369251
Energy: 0.9256312426082353
Energy: 0.9508206417768215
Energy: 0.9505475772433618
Energy: 0.9304204734084555
Energy: 0.9505475772433618
Energy: 0.9508206417768215
Energy: 0.9505475772433618
Energy: 0.9333876910091014
Energy: 1.1540700790842677
Energy: 1.4465267256460468
Energy: 1.154070079082728
Energy: 0.9333876910091014
Energy: 1.154070079082728
Energy: 1.2585956303107315
Energy: 0.9626619524420743
Energy: 1.2785944844400297
Energy: 0.9626619524428442
Energy: 1.2585956303107315
Energy: 0.9626619524436142
Energy: 0.9330924182774604
Energy: 1.1208196121310292
Energy: 1.3394161440099668
Energy: 1.1208196121317993
Energy: 0.9330924182782304
Energy: 1.1208196121317993
Energy: 1.4521463736953613
Energy: 1.0171567227123792
Energy: 0.9299037898115445
Energy: 1.0171567227123792
Energy: 1.4521463736953613
Energy: 1.0171567227123792
Energy: 0.9244785605585092
Energy: 0.9518202054070566
Energy: 1.357527471420231
Energy: 0.9518202054062866
Energy: 0.9244785605585092
Energy: 0.9518202054062866
Energy: 1.3047744072102905
Energy: 0.9709547508484507
Energy: 1.3055960251023293
Energy: 0.9709547508484507
Energy: 1.3047744072102905
Energy: 0.9709547508484507
Energy: 0.9289027766854858
Energy: 1.1203912164897927
Energy: 1.4329370480765333
Energy: 1.1203912164890224
Energy: 0.9289027766854858
Energy: 1.120391216494412

minimum gb energy = 0.9214578809902706 eV
minimum distance =  2.19901419186086 Angstroms
sigma value = 41


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

Energy: 0.7527719101709411
Energy: 0.758229420664775
Energy: 1.484697906505723
Energy: 0.758229420664775
Energy: 0.7527719101709411
Energy: 0.758229420664775
Energy: 1.5574420569991392
Energy: 0.7581533642531684
Energy: 0.7623959143539462
Energy: 0.7581533642531684
Energy: 1.5574420569991392
Energy: 0.7581533642531684
Energy: 0.7505703990013743
Energy: 1.018852199418712
Energy: 0.9836788786014597
Energy: 1.018852199418712
Energy: 0.7505703990013743
Energy: 1.018852199418712
Energy: 1.550417626487367
Energy: 0.7582414367785612
Energy: 0.7630017969949873
Energy: 0.7582414367785612
Energy: 1.550417626487367
Energy: 0.7582414367785612
Energy: 0.7494198608820453
Energy: 1.1919120256350673
Energy: 0.7651494646939272
Energy: 1.1919120256350673
Energy: 0.7494198608820453
Energy: 1.1919120256350673
Energy: 0.7495173298892885
Energy: 0.7946049253284729
Energy: 0.7636822712316438
Energy: 0.7946049253284729
Energy: 0.7495173298892885
Energy: 0.7946049253284729
Energy: 1.5397121514710486
Energy: 0.7586692611798904
Energy: 0.7638142914577306
Energy: 0.7586692611798904
Energy: 1.539712151468947
Energy: 0.7586692611798904
Energy: 0.7501733994452604
Energy: 0.7581748217796404
Energy: 0.76519751269637
Energy: 0.7581748217796404
Energy: 0.7501733994431583
Energy: 0.7581748217796404
Energy: 1.4796207731382927
Energy: 0.7947412752738179
Energy: 0.762814755494784
Energy: 0.7947412752738179
Energy: 1.4796207731382927
Energy: 0.7947412752738179
Energy: 0.7530137555280522
Energy: 0.7584464357141091
Energy: 0.7608478861882523
Energy: 0.7584464357141091
Energy: 0.7530137555280522
Energy: 0.7584464357141091
Energy: 1.4864987449090168
Energy: 0.7582327593324039
Energy: 0.7625017205705086
Energy: 0.7582327593324039
Energy: 1.4864987449090168
Energy: 0.7582327593324039
Energy: 0.7523180211917898
Energy: 1.0186674989029183
Energy: 1.4065191398093526
Energy: 1.0186674989029183
Energy: 0.7523180211917898
Energy: 1.0186674989029183
Energy: 1.4864890476788775
Energy: 0.7582911357563296
Energy: 0.7624921626651121
Energy: 0.7582911357563296
Energy: 1.4864890476788775
Energy: 0.7582911357563296
Energy: 0.7529705559063821
Energy: 0.7585562385909121
Energy: 0.7608509101175375
Energy: 0.7585562385930144
Energy: 0.7529705559084844
Energy: 0.7585562385930144

minimum gb energy = 0.7494198608820453 eV
minimum distance =  2.37434276613712 Angstroms
sigma value = 11


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

Energy: 1.583392979475145
Energy: 1.090518562421649
Energy: 1.5020525175363213
Energy: 1.090518562421649
Energy: 1.583392979475145
Energy: 1.0905185624207254
Energy: 1.0738518961902825
Energy: 1.1071540166998453
Energy: 1.07399069060785
Energy: 1.107154016701692
Energy: 1.0738518961902825
Energy: 1.107154016701692
Energy: 1.074825579494029
Energy: 1.2020827121808255
Energy: 1.074179183663405
Energy: 1.202082712181749
Energy: 1.074825579494029
Energy: 1.202082712181749
Energy: 1.106642642188181
Energy: 1.1072648515279473
Energy: 1.0735718728043138
Energy: 1.1072648515279473
Energy: 1.106642642188181
Energy: 1.1072648515279473
Energy: 1.0739902283096863
Energy: 1.190883517979912
Energy: 1.1096467160943533
Energy: 1.190883517979912
Energy: 1.0739902283096863
Energy: 1.190883517979912
Energy: 1.0973330433449406
Energy: 1.1746664215835367
Energy: 1.0738425034633916
Energy: 1.1746664215835367
Energy: 1.0973330433449406
Energy: 1.1746664215835367
Energy: 1.106780277810044
Energy: 1.190169632221956
Energy: 1.0960145548876166
Energy: 1.1901696322210535
Energy: 1.106780277810044
Energy: 1.190169632221956
Energy: 1.0752150904741604
Energy: 1.1087000050704137
Energy: 1.073591389471354
Energy: 1.1087000050704137
Energy: 1.0752150904741604
Energy: 1.1087000050704137
Energy: 1.075197593659685
Energy: 1.199137904022113
Energy: 1.0733855591326742
Energy: 1.1991379040230365
Energy: 1.075197593659685
Energy: 1.1991379040230365
Energy: 1.0739648633986583
Energy: 1.1073042078339446
Energy: 1.1078774346531337
Energy: 1.1073042078348676
Energy: 1.0739648633986583
Energy: 1.1073042078339446
Energy: 1.1071241067596236
Energy: 1.0786200640518326
Energy: 1.0972970081473297
Energy: 1.0786200640518326
Energy: 1.1071241067587
Energy: 1.0786200640518326
Energy: 1.075611907131962
Energy: 1.1759257389939028
Energy: 1.0971305699703582
Energy: 1.1759257389939028
Energy: 1.075611907131962
Energy: 1.1759257389939028
Energy: 1.074132594493354
Energy: 1.3981817542286634
Energy: 1.14646379417768
Energy: 1.398181754229587
Energy: 1.074132594493354
Energy: 1.398181754229587
Energy: 1.1083172260903003
Energy: 1.1989339251044027
Energy: 1.1082430366706701
Energy: 1.1989339251044027
Energy: 1.1083172260903003
Energy: 1.1989339251044027
Energy: 1.0733551111497377
Energy: 1.295528863921939
Energy: 1.0737570139070967
Energy: 1.295528863921939
Energy: 1.0733551111497377
Energy: 1.295528863921939
Energy: 1.1070619076564863
Energy: 1.0735402629905946
Energy: 1.0978035044771508
Energy: 1.0735402629915176
Energy: 1.1070619076666444
Energy: 1.0735402629915176
Energy: 1.0960475297098649
Energy: 1.6088124145783835
Energy: 1.0751680969433342
Energy: 1.6088124145783835
Energy: 1.0960475297098649
Energy: 1.6088124145783835
Energy: 1.0738108955918124
Energy: 1.2966476502654485
Energy: 1.0737932092406859
Energy: 1.2966476502654485
Energy: 1.073810895592736
Energy: 1.2966476502654485
Energy: 1.107381734391971
Energy: 1.1071419318248141
Energy: 1.108204277864866
Energy: 1.1071419318248141
Energy: 1.107381734391971
Energy: 1.1071419318248141
Energy: 1.0738237444749394
Energy: 1.4008799383996722
Energy: 1.0747209321453774
Energy: 1.4008799383996722
Energy: 1.0738237444749394
Energy: 1.4008799383996722
Energy: 1.0969060010439817
Energy: 1.175820503696083
Energy: 1.0751331115896834
Energy: 1.175820503696083
Energy: 1.0969060010439817
Energy: 1.175820503696083
Energy: 1.0972427376915384
Energy: 1.0787543246156113
Energy: 1.108323226482
Energy: 1.0787543246156113
Energy: 1.0972427376906146
Energy: 1.0787543246156113
Energy: 1.2273170086776986
Energy: 1.1071876450138403
Energy: 1.1300503955621182
Energy: 1.1071876450138403
Energy: 1.2273170086776986
Energy: 1.1071876450138403
Energy: 1.073370798075836
Energy: 1.1987140080684577
Energy: 1.0744290008617272
Energy: 1.1987140080684577
Energy: 1.073370798075836
Energy: 1.1987140080684577
Energy: 1.076237731989437
Energy: 1.1083663000344541
Energy: 1.0746962184710007
Energy: 1.1083663000344541
Energy: 1.076237731989437
Energy: 1.1083663000344541
Energy: 1.095722023120431
Energy: 1.1907057371395577
Energy: 1.1066674718111704
Energy: 1.1907057371395577
Energy: 1.0957220231195073
Energy: 1.1907057371395577
Energy: 1.0738378373992272
Energy: 1.1747415005884103
Energy: 1.0740484652683946
Energy: 1.1747415005884103
Energy: 1.0738378373992272
Energy: 1.1747415005893338
Energy: 1.1066592673277542
Energy: 1.1906935302901045
Energy: 1.0975179741595624
Energy: 1.1906935302901045
Energy: 1.1066592673277542
Energy: 1.1906935302901045
Energy: 1.07429942444781
Energy: 1.1076086833674301
Energy: 1.106731030855893
Energy: 1.1076086833674301
Energy: 1.07429942444781
Energy: 1.1076086833674301
Energy: 1.0738984007083805
Energy: 1.107487048939934
Energy: 1.0756616501704703
Energy: 1.1074870489408575
Energy: 1.0738984007093042
Energy: 1.107487048939934
Energy: 1.0734740445629976
Energy: 1.1071051700772858
Energy: 1.073917742226666
Energy: 1.1071051700763623
Energy: 1.0734740445629976
Energy: 1.1071051700772858

minimum gb energy = 1.0733551111497377 eV
minimum distance =  2.21937696333449 Angstroms
sigma value = 57


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

Energy: 1.3017182228157924
Energy: 1.2563195659438324
Energy: 1.4808631156440286
Energy: 1.2563195659454758
Energy: 1.3017182228157924
Energy: 1.2563195659454758
Energy: 1.1975410408531313
Energy: 1.3186891761768524
Energy: 1.1895064383721408
Energy: 1.2628401031976608
Energy: 1.1975410408531313
Energy: 1.190348692804253
Energy: 1.1899605020521873
Energy: 1.296764354228225
Energy: 1.1897573721919914
Energy: 1.296764354228225
Energy: 1.1899605020521873
Energy: 1.2967643542265817
Energy: 1.1897395376395128
Energy: 1.3398965352193783
Energy: 1.1897299312644019
Energy: 1.2659410243338234
Energy: 1.1897395376395128
Energy: 1.2658793953990564
Energy: 1.189627327805303
Energy: 1.2968231090823037
Energy: 1.1900240010475573
Energy: 1.2968231090823037
Energy: 1.189627327805303
Energy: 1.2968231090823037
Energy: 1.1895165421128489
Energy: 1.1903532764736777
Energy: 1.1975499011725252
Energy: 1.1903532764736777
Energy: 1.1895165421128489
Energy: 1.1903532764736777
Energy: 1.4808631156440286
Energy: 1.2563195659454758
Energy: 1.3017182228157924
Energy: 1.2563195659454758
Energy: 1.4808631156440286
Energy: 1.2563195659454758
Energy: 1.1895064383721408
Energy: 1.3186891761768524
Energy: 1.1975410408531313
Energy: 1.318689176175209
Energy: 1.1895064383721408
Energy: 1.2628401031976608
Energy: 1.1897573721919914
Energy: 1.296764354228225
Energy: 1.1899605020521873
Energy: 1.296764354228225
Energy: 1.1897573721919914
Energy: 1.296764354228225
Energy: 1.1897299312644019
Energy: 1.2659410243322171
Energy: 1.1897395376395128
Energy: 1.2643683817465043
Energy: 1.1897299312644019
Energy: 1.2659410243338234
Energy: 1.1900240010475573
Energy: 1.2968231090823037
Energy: 1.1896273278069462
Energy: 1.2968231090823037
Energy: 1.1900240010475573
Energy: 1.2968231090823037
Energy: 1.1975499011725252
Energy: 1.1903532764736777
Energy: 1.1895165421128489
Energy: 1.1903532764736777
Energy: 1.1975499011725252
Energy: 1.1903532764736777
Energy: 1.3017182228157924
Energy: 1.2563195659438324
Energy: 1.4449652284312806
Energy: 1.2563195659454758
Energy: 1.3017182228157924
Energy: 1.2563195659454758
Energy: 1.1975410408531313
Energy: 1.2628401031976608
Energy: 1.1895064383721408
Energy: 1.2628401031976608
Energy: 1.1975410408531313
Energy: 1.190348692804253
Energy: 1.1899605020521873
Energy: 1.296764354228225
Energy: 1.1897573721936348
Energy: 1.296764354228225
Energy: 1.1899605020521873
Energy: 1.296764354228225
Energy: 1.1897395376395128
Energy: 1.2644131880252387
Energy: 1.1897299312644019
Energy: 1.2659410243322171
Energy: 1.1897395376395128
Energy: 1.2658793953990564
Energy: 1.1896273278069462
Energy: 1.2968231090823037
Energy: 1.1900240010475573
Energy: 1.2968231090823037
Energy: 1.189627327805303
Energy: 1.2968231090823037

minimum gb energy = 1.1895064383721408 eV
minimum distance =  2.23513162836735 Angstroms
sigma value = 9


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

Energy: 1.3705398293904667
Energy: 1.3476557831728546
Energy: 1.3508045663391923
Energy: 1.3476557831728546
Energy: 1.3705398293918085
Energy: 1.3476557831715128
Energy: 1.266864418144852
Energy: 1.356524322568841
Energy: 1.3464527083490536
Energy: 1.3565243225674994
Energy: 1.266864418144852
Energy: 1.356524322568841
Energy: 1.3703493304808863
Energy: 1.369710842402937
Energy: 1.3479165298747942
Energy: 1.3697108424015956
Energy: 1.3703493304808863
Energy: 1.3697108424015956
Energy: 1.3510738753983766
Energy: 1.3531801364305798
Energy: 1.2726414082900028
Energy: 1.353180136429238
Energy: 1.3510738753983766
Energy: 1.353180136429238
Energy: 1.2666508283944082
Energy: 1.4450309375533157
Energy: 1.347413290449033
Energy: 1.4450309375533157
Energy: 1.2666508283944082
Energy: 1.4450309375519739
Energy: 1.3507479060213863
Energy: 1.3697548607817043
Energy: 1.3480183660080842
Energy: 1.3697548607817043
Energy: 1.350747906022728
Energy: 1.3697548607817043
Energy: 1.3526330119818277
Energy: 1.5177518908304692
Energy: 1.349447169520486
Energy: 1.5177518908304692
Energy: 1.3526330119818277
Energy: 1.517751890831811
Energy: 1.2896656907793678
Energy: 1.35547832386622
Energy: 1.3537975202247627
Energy: 1.35547832386622
Energy: 1.2896656907793678
Energy: 1.35547832386622
Energy: 1.2865019845086305
Energy: 1.3693253768109428
Energy: 1.26999806577723
Energy: 1.3693253768122848
Energy: 1.2865019845086305
Energy: 1.369325376809601
Energy: 1.3555108531859947
Energy: 1.3531792368039248
Energy: 1.3547570369767552
Energy: 1.3531792368039248
Energy: 1.3555108531859947
Energy: 1.3531792368039248
Energy: 1.3531346023929094
Energy: 1.4064543173332833
Energy: 1.2932083853043717
Energy: 1.4064543173332833
Energy: 1.3531346023929094
Energy: 1.4064543173332833
Energy: 1.3503824570866652
Energy: 1.3540835653700969
Energy: 1.284134291228337
Energy: 1.3540835653700969
Energy: 1.3503824570866652
Energy: 1.3540835653700969
Energy: 1.3521873353049494
Energy: 1.3522702441429657
Energy: 1.2808374455840006
Energy: 1.3522702441429657
Energy: 1.3521873353049494
Energy: 1.3522702441429657
Energy: 1.3505771220069378
Energy: 1.352416606462696
Energy: 1.2703843517624842
Energy: 1.3524166064653795
Energy: 1.3505771220069378
Energy: 1.3524166064653795
Energy: 1.3507583920433501
Energy: 1.5126421272263963
Energy: 1.3534607520618855
Energy: 1.5126421272263963
Energy: 1.3507583920433501
Energy: 1.5126421272263963
Energy: 1.286456108970674
Energy: 1.3667132125316226
Energy: 1.2698544177383786
Energy: 1.366713212530281
Energy: 1.286456108970674
Energy: 1.366713212530281
Energy: 1.2865481052306675
Energy: 1.39163699060193
Energy: 1.3121450053689283
Energy: 1.3916369905979045
Energy: 1.2865481052306675
Energy: 1.3916369905911954
Energy: 1.3636907311708675
Energy: 1.5161832408915785
Energy: 1.3547710492179674
Energy: 1.5161832408902365
Energy: 1.3636907311708675
Energy: 1.5161832408915785
Energy: 1.3532834952721136
Energy: 1.3522380422698066
Energy: 1.29208970962398
Energy: 1.3522380422711484
Energy: 1.3532834952734552
Energy: 1.3522380422711484
Energy: 1.3591931924330882
Energy: 1.4453993730463743
Energy: 1.353565092117295
Energy: 1.4453993730463743
Energy: 1.3591931924330882
Energy: 1.4453993730463743
Energy: 1.3531879021094813
Energy: 1.3530236834888474
Energy: 1.280838149861131
Energy: 1.3530236834888474
Energy: 1.3531879021107927
Energy: 1.3530236834888474

minimum gb energy = 1.2666508283944082 eV
minimum distance =  2.22012428264446 Angstroms
sigma value = 27


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

Energy: 1.4543973769680147
Energy: 1.318596205907806
Energy: 1.3715500695627296
Energy: 1.318596205907806
Energy: 1.4543973769680147
Energy: 1.318596205907806
Energy: 1.3044704871297466
Energy: 1.266905731608674
Energy: 1.3090246146020532
Energy: 1.266905731608674
Energy: 1.3044704871297466
Energy: 1.266905731608674
Energy: 1.3336705259331627
Energy: 1.2872097165656562
Energy: 1.3087095451534219
Energy: 1.2872097165656562
Energy: 1.3336705259320316
Energy: 1.2872097165656562
Energy: 1.367368979167212
Energy: 1.5347871052392787
Energy: 1.334907206058814
Energy: 1.5347871052392787
Energy: 1.367368979167212
Energy: 1.5347871052392787
Energy: 1.2667383383931923
Energy: 1.345928891430046
Energy: 1.2690836739363445
Energy: 1.345928891430046
Energy: 1.2667383383920614
Energy: 1.345928891430046
Energy: 1.3584804888413737
Energy: 1.3753234124613336
Energy: 1.311368102122763
Energy: 1.3753234124613336
Energy: 1.3584804888402426
Energy: 1.3753234124613336
Energy: 1.3503864293763757
Energy: 1.4894951113712351
Energy: 1.3186399482514068
Energy: 1.4894951113723665
Energy: 1.3503864293763757
Energy: 1.4894951113712351
Energy: 1.2904438775883667
Energy: 1.2998230916086464
Energy: 1.318475084338019
Energy: 1.2998230916075155
Energy: 1.2904438775883667
Energy: 1.2998230916086464
Energy: 1.3836705068636763
Energy: 1.5513737897137168
Energy: 1.3662579625725022
Energy: 1.5513737897137168
Energy: 1.3836705068625457
Energy: 1.5513737897148479
Energy: 1.310336511636195
Energy: 1.289930316793877
Energy: 1.3195385559917157
Energy: 1.289930316793877
Energy: 1.310336511636195
Energy: 1.289930316792746
Energy: 1.3312023413637304
Energy: 1.27219331463624
Energy: 1.3194625443624766
Energy: 1.272193314635109
Energy: 1.3312023413637304
Energy: 1.27219331463624
Energy: 1.3837084167430787
Energy: 1.5514321625974463
Energy: 1.328704320099189
Energy: 1.5514321625974463
Energy: 1.3837084167430787
Energy: 1.5514321625974463
Energy: 1.2900281396742943
Energy: 1.2992012005776388
Energy: 1.318957675426894
Energy: 1.299201200576508
Energy: 1.2900281396754254
Energy: 1.2992012005776388
Energy: 1.2935965328291688
Energy: 1.4756503903029026
Energy: 1.3185448654995546
Energy: 1.4756503903029026
Energy: 1.2935965328291688
Energy: 1.4756503903017713
Energy: 1.3655077573262937
Energy: 1.3759582530583288
Energy: 1.3116722779446248
Energy: 1.3759582530583288
Energy: 1.3655077573262937
Energy: 1.3759582530583288
Energy: 1.267095413033538
Energy: 1.345928891430046
Energy: 1.269712546446884
Energy: 1.345928891430046
Energy: 1.267095413033538
Energy: 1.345928891430046
Energy: 1.3669903771323855
Energy: 1.4897780432980128
Energy: 1.2657506675781478
Energy: 1.4897780432980128
Energy: 1.3669903771323855
Energy: 1.4897780432980128
Energy: 1.3098221152844856
Energy: 1.2874003613824396
Energy: 1.3088517044026335
Energy: 1.287400361383571
Energy: 1.3098221152844856
Energy: 1.287400361383571
Energy: 1.3488406736289216
Energy: 1.2987995068426226
Energy: 1.3089836433961501
Energy: 1.2987995068414917
Energy: 1.3488406736289216
Energy: 1.2987995068414917
Energy: 1.4543973769680147
Energy: 1.318596205907806
Energy: 1.3715500695627296
Energy: 1.318596205907806
Energy: 1.4543973769680147
Energy: 1.318596205907806
Energy: 1.3044704871297466
Energy: 1.266905731608674
Energy: 1.3090246146020532
Energy: 1.266905731608674
Energy: 1.3044704871297466
Energy: 1.266905731608674
Energy: 1.3336705259320316
Energy: 1.2872097165656562
Energy: 1.3087095451534219
Energy: 1.2872097165656562
Energy: 1.3336705259320316
Energy: 1.2872097165645253
Energy: 1.367368979167212
Energy: 1.5347871052392787
Energy: 1.3165873826298062
Energy: 1.5347871052392787
Energy: 1.367368979167212
Energy: 1.5347871052392787
Energy: 1.2667383383931923
Energy: 1.345928891430046
Energy: 1.2690836739363445
Energy: 1.345928891430046
Energy: 1.2667383383931923
Energy: 1.345928891428915
Energy: 1.3584804888413737
Energy: 1.3753234124613336
Energy: 1.311368102122763
Energy: 1.3753234124602025
Energy: 1.3584804888413737
Energy: 1.3753234124613336

minimum gb energy = 1.2657506675781478 eV
minimum distance =  2.23633516847817 Angstroms
sigma value = 19


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

Energy: 1.4691985837913284
Energy: 1.2888546081018524
Energy: 1.3462058522206275
Energy: 1.2888546081018524
Energy: 1.4691985837923047
Energy: 1.2888546081018524
Energy: 1.2760622769749221
Energy: 1.2688278817694452
Energy: 1.2732719913677815
Energy: 1.2688278817694452
Energy: 1.2760622769749221
Energy: 1.2688278817694452
Energy: 1.265090933225062
Energy: 1.2677771836997362
Energy: 1.2732427975845375
Energy: 1.2677771836997362
Energy: 1.265090933225062
Energy: 1.2677771836997362
Energy: 1.2846287984989977
Energy: 1.411245495837936
Energy: 1.2988565651991602
Energy: 1.411245495837936
Energy: 1.2846287984989977
Energy: 1.4112454958369596
Energy: 1.2683898175911157
Energy: 1.2657798219701286
Energy: 1.2953608278208488
Energy: 1.2657798219701286
Energy: 1.2683898175911157
Energy: 1.2657798219701286
Energy: 1.2901714128400972
Energy: 1.4611716880696455
Energy: 1.281424309174525
Energy: 1.4611716880696455
Energy: 1.2901714128400972
Energy: 1.4611716880696455
Energy: 1.2537602752378516
Energy: 1.484177639367904
Energy: 1.295108977105643
Energy: 1.484177639367904
Energy: 1.2537602752378516
Energy: 1.484177639367904
Energy: 1.253901463697283
Energy: 1.4583504403449146
Energy: 1.2821323585127844
Energy: 1.458350440345869
Energy: 1.253901463697283
Energy: 1.4583504403449146
Energy: 1.2845887306558943
Energy: 1.4589057049067389
Energy: 1.3109597798247277
Energy: 1.4589057049057625
Energy: 1.2845887306558943
Energy: 1.4589057049057625
Energy: 1.2678301105629488
Energy: 1.3814802050004693
Energy: 1.2739815407984463
Energy: 1.3814802050004693
Energy: 1.2678301105629488
Energy: 1.381480204999493
Energy: 1.2537629490058018
Energy: 1.2683609706825725
Energy: 1.272988447470691
Energy: 1.2683609706825725
Energy: 1.2537629490058018
Energy: 1.2683609706825725
Energy: 1.2908116610877338
Energy: 1.249579759474725
Energy: 1.2639205574031753
Energy: 1.249579759473749
Energy: 1.2908116610877338
Energy: 1.249579759474725
Energy: 1.2907320309537544
Energy: 1.2471865185689486
Energy: 1.2637292527955502
Energy: 1.2471865185689486
Energy: 1.2907320309537544
Energy: 1.2471865185689486
Energy: 1.282584294623682
Energy: 1.5467763543054758
Energy: 1.347173668379663
Energy: 1.5467763543054758
Energy: 1.282584294623682
Energy: 1.5467763543054758
Energy: 1.2845550325905728
Energy: 1.2963423691199687
Energy: 1.263896550971599
Energy: 1.2963423691189926
Energy: 1.2845550325905728
Energy: 1.2963423691189926
Energy: 1.305890581707147
Energy: 1.3692550746794867
Energy: 1.2491302729634657
Energy: 1.3692550746794867
Energy: 1.305890581707147
Energy: 1.3692550746794867
Energy: 1.2655318973926406
Energy: 1.4578948877371392
Energy: 1.2927981554902117
Energy: 1.4578948877371392
Energy: 1.2655318973926406
Energy: 1.4578948877371392
Energy: 1.2977229308273865
Energy: 1.3144322732408453
Energy: 1.2468804778150768
Energy: 1.3144322732408453
Energy: 1.2977229308273865
Energy: 1.3144322732408453
Energy: 1.2659659258968188
Energy: 1.4582123170838732
Energy: 1.267817465309473
Energy: 1.4582123170838732
Energy: 1.2659659258968188
Energy: 1.4582123170838732
Energy: 1.3060940788158335
Energy: 1.3700992321732428
Energy: 1.2609047415865444
Energy: 1.3700992321722665
Energy: 1.3060940788158335
Energy: 1.3700992321732428
Energy: 1.2846315523175726
Energy: 1.3803106698478738
Energy: 1.2640423630303215
Energy: 1.3803106698468974
Energy: 1.2846315523175726
Energy: 1.3803106698468974
Energy: 1.2837486543774173
Energy: 1.465318700466794
Energy: 1.3472644781118301
Energy: 1.465318700466794
Energy: 1.2837486543774173
Energy: 1.465318700466794
Energy: 1.3298760402993033
Energy: 1.263034463544461
Energy: 1.2638617129202772
Energy: 1.263034463544461
Energy: 1.3298760403002794
Energy: 1.263034463544461
Energy: 1.3301380661079965
Energy: 1.274132111832409
Energy: 1.2640064925403722
Energy: 1.274132111832409
Energy: 1.3301380661079965
Energy: 1.274132111832409
Energy: 1.4074141405428822
Energy: 1.4658763780160051
Energy: 1.3026792649375585
Energy: 1.4658763780169812
Energy: 1.4074141405428822
Energy: 1.4658763780169812
Energy: 1.267842213614891
Energy: 1.2677497477879636
Energy: 1.2731240221097904
Energy: 1.2677497477899162
Energy: 1.2678422136139371
Energy: 1.2677497477899162
Energy: 1.2847104695382525
Energy: 1.3710418858772448
Energy: 1.2876628952157267
Energy: 1.3710418858772448
Energy: 1.2847104695382525
Energy: 1.3710418858772448
Energy: 1.2539128271159286
Energy: 1.4578076094118952
Energy: 1.281360707955002
Energy: 1.4578076094128716
Energy: 1.2539128271159286
Energy: 1.4578076094128716
Energy: 1.2541967735536372
Energy: 1.4925393650973338
Energy: 1.2950975791952737
Energy: 1.49253936509831
Energy: 1.2541967735536372
Energy: 1.49253936509831

minimum gb energy = 1.2468804778150768 eV
minimum distance =  2.21601357836679 Angstroms
sigma value = 101


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

Energy: 1.4058855866048083
Energy: 1.363964779123733
Energy: 1.2725248712036736
Energy: 1.3639647791245915
Energy: 1.4058855866056668
Energy: 1.3639647791245915
Energy: 1.245532414332284
Energy: 1.2336220508666453
Energy: 1.2437232001351979
Energy: 1.2336220508657871
Energy: 1.245532414332284
Energy: 1.2336220508657871
Energy: 1.2290040940425058
Energy: 1.3483307699670612
Energy: 1.2484401056629573
Energy: 1.348330769966203
Energy: 1.2290040940425058
Energy: 1.3483307699670612
Energy: 1.227836594078255
Energy: 1.435427489871003
Energy: 1.2384525017437062
Energy: 1.4451934136023759
Energy: 1.227836594078255
Energy: 1.435427489871003
Energy: 1.2160471751065165
Energy: 1.3885325855988562
Energy: 1.2305641516030545
Energy: 1.3885325855988562
Energy: 1.2160471751073747
Energy: 1.3885325855988562
Energy: 1.2302372492928433
Energy: 1.4229370453123844
Energy: 1.2156260936015502
Energy: 1.4229370453123844
Energy: 1.2302372492928433
Energy: 1.4229370453123844
Energy: 1.2302973395483674
Energy: 1.4684766521344808
Energy: 1.2158477326029535
Energy: 1.468476652135339
Energy: 1.2302973395483674
Energy: 1.468476652135339
Energy: 1.2287315618044505
Energy: 1.4520582175915522
Energy: 1.2287148919058204
Energy: 1.4697052008191849
Energy: 1.2287315618044505
Energy: 1.424198239649453
Energy: 1.2156737849391983
Energy: 1.4229647673748653
Energy: 1.229279112051583
Energy: 1.4229647673748653
Energy: 1.2156737849391983
Energy: 1.4229647673748653
Energy: 1.2154624455545764
Energy: 1.353274768681097
Energy: 1.215540084212121
Energy: 1.353274768681097
Energy: 1.2154624455545764
Energy: 1.353274768681097
Energy: 1.254686134025936
Energy: 1.418609678194566
Energy: 1.280251005697767
Energy: 1.418609678194566
Energy: 1.254686134025936
Energy: 1.418609678194566
Energy: 1.2438324848115696
Energy: 1.3478793448705553
Energy: 1.216717982650023
Energy: 1.3478793448705553
Energy: 1.2438324848107116
Energy: 1.3478793448705553
Energy: 1.2440762130154932
Energy: 1.2801934425152464
Energy: 1.2227122809948867
Energy: 1.2801934425212538
Energy: 1.2440762130154932
Energy: 1.2801934425161046
Energy: 1.2370595029683364
Energy: 1.2938783526242597
Energy: 1.2436037387386574
Energy: 1.2781522773054563
Energy: 1.2370595029683364
Energy: 1.2938783526234015
Energy: 1.2255650198516896
Energy: 1.3510956579619253
Energy: 1.2436106111352248
Energy: 1.3510956579619253
Energy: 1.2255650198516896
Energy: 1.3510956579619253
Energy: 1.2523231700387925
Energy: 1.2803013575861557
Energy: 1.2298636285114697
Energy: 1.2803013575870144
Energy: 1.2523231700396509
Energy: 1.2803013575861557
Energy: 1.2156814671710927
Energy: 1.4350992906083664
Energy: 1.2157898343642102
Energy: 1.4350992906092246
Energy: 1.2156814671710927
Energy: 1.4350992906083664
Energy: 1.2285448777108325
Energy: 1.3160553570835682
Energy: 1.2154388151999804
Energy: 1.3160553570835682
Energy: 1.2285448777108325
Energy: 1.3160553570835682
Energy: 1.2306313706387029
Energy: 1.4231366099182103
Energy: 1.2297149289909917
Energy: 1.4231366099182103
Energy: 1.2306313706387029
Energy: 1.4231366099182103
Energy: 1.2156517862357683
Energy: 1.2849830829578273
Energy: 1.2153467373329396
Energy: 1.2849830829578273
Energy: 1.2156517862357683
Energy: 1.2849830829578273
Energy: 1.2451059973837684
Energy: 1.2925301566325673
Energy: 1.2289423271258277
Energy: 1.2925301566325673
Energy: 1.2451059973837684
Energy: 1.2925301566325673
Energy: 1.216137723807025
Energy: 1.4218563339853287
Energy: 1.2153228184283946
Energy: 1.4218563339853287
Energy: 1.216137723807025
Energy: 1.4218563339853287
Energy: 1.2289212394530957
Energy: 1.422096428004436
Energy: 1.2157514090479646
Energy: 1.4220964280052946
Energy: 1.2289212394530957
Energy: 1.4220964280052946
Energy: 1.2277933914278447
Energy: 1.44783909062712
Energy: 1.283685929099759
Energy: 1.44783909062712
Energy: 1.2277933914287034
Energy: 1.44783909062712
Energy: 1.2157770562971186
Energy: 1.334510121419475
Energy: 1.2274894663179425
Energy: 1.3345101214203332
Energy: 1.2157770562971186
Energy: 1.3345101214203332
Energy: 1.2226482293682508
Energy: 1.4241450823227826
Energy: 1.2522586322899556
Energy: 1.4241450823236408
Energy: 1.2226482293673924
Energy: 1.4241450823236408
Energy: 1.2438202309602484
Energy: 1.215834704035675
Energy: 1.2154826422088603
Energy: 1.215834704035675
Energy: 1.2438202309602484
Energy: 1.2158347040365332
Energy: 1.2438562025461755
Energy: 1.216042000586249
Energy: 1.2152359882199746
Energy: 1.216042000586249
Energy: 1.2438562025470334
Energy: 1.216042000586249
Energy: 1.2723470844193052
Energy: 1.2806588450784864
Energy: 1.305217501567093
Energy: 1.2806588450776282
Energy: 1.2723470844193052
Energy: 1.2806588450784864
Energy: 1.2154698750164787
Energy: 1.224766832960991
Energy: 1.2153728192818516
Energy: 1.2247668329618495
Energy: 1.2154698750164787
Energy: 1.2247668329618495
Energy: 1.2155027170911352
Energy: 1.2924450957626021
Energy: 1.2286414417731475
Energy: 1.2924450957617442
Energy: 1.2155027170911352
Energy: 1.2924450957626021
Energy: 1.2227504674585106
Energy: 1.4191993788733335
Energy: 1.2155020762778066
Energy: 1.4191993788733335
Energy: 1.2227504674585106
Energy: 1.4191993788724753
Energy: 1.2158150225924875
Energy: 1.2838561247088853
Energy: 1.2290251509887244
Energy: 1.2838561247088853
Energy: 1.2158150225924875
Energy: 1.2838561247088853

minimum gb energy = 1.2152359882199746 eV
minimum distance =  2.22905113423 Angstroms
sigma value = 33


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

Energy: 0.01508319949794825
Energy: 0.015861492689909714
Energy: 1.508156742748306
Energy: 0.01586149267873848
Energy: 0.01508319949794825
Energy: 0.01586149268503716
Energy: 0.015488703369352203
Energy: 0.7831429300524949
Energy: 0.015488703369352203
Energy: 0.7831429300524949
Energy: 0.015488703369352203
Energy: 0.7831429300524949
Energy: 1.6762718015122149
Energy: 0.015861492676638923
Energy: 0.01508319949794825
Energy: 0.015861492675965483
Energy: 1.6762718015122149
Energy: 0.01586149267735198
Energy: 0.015488703369352203
Energy: 0.7831429300524949
Energy: 0.015488703370065261
Energy: 0.7831429300524949
Energy: 0.015488703369352203
Energy: 0.7831429300524949

minimum gb energy = 0.01508319949794825 eV
minimum distance =  2.44288442124933 Angstroms
sigma value = 1