Model name: model_name=Sim_LAMMPS_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.519999980926514
cohesive_energy=4.450349977697172
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.018160521712545143
Energy: 1.3556073658285246
Energy: 0.018160521712545143
Energy: 1.3556073658285246
Energy: 0.018160521712545143
Energy: 1.3556073658285246
Energy: 1.3556073658285246
Energy: 0.018243573885146476
Energy: 1.3556073658285246
Energy: 0.01824357388485246
Energy: 1.3556073658285246
Energy: 0.01824357388485246
Energy: 0.018160521712545143
Energy: 1.3556073658285246
Energy: 0.018160521712545143
Energy: 1.3556073658285246
Energy: 0.018160521712545143
Energy: 1.3556073658285246
Energy: 1.3556073658285246
Energy: 0.018243573884521698
Energy: 1.3556073658285246
Energy: 0.018243573884521698
Energy: 1.3556073658288552
Energy: 0.018243573882904627
Energy: 0.018160521712545143
Energy: 1.3556073658285246
Energy: 0.018160521712545143
Energy: 1.3556073658285246
Energy: 0.018160521712545143
Energy: 1.3556073658285246
Energy: 1.3556073658285246
Energy: 0.018243573883235394
Energy: 1.3556073658285246
Energy: 0.018243573883235394
Energy: 1.3556073658285246
Energy: 0.018243573883529405

minimum gb energy = 0.018160521712545143 eV
minimum distance =  2.48762949765351 Angstroms
sigma value = 1


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

Energy: 1.469308849486309
Energy: 1.3992432462405542
Energy: 1.4693088494839206
Energy: 1.3992432462421467
Energy: 1.469308849486309
Energy: 1.3992432462397577
Energy: 1.3270368182654129
Energy: 1.300999690009208
Energy: 1.3272183620427127
Energy: 1.300999690009208
Energy: 1.3277035611135166
Energy: 1.300999690009208
Energy: 1.3783718750417508
Energy: 1.4657365754990912
Energy: 1.378371875042547
Energy: 1.465736575494314
Energy: 1.3783718750441394
Energy: 1.4657365754959062
Energy: 1.602041293519258
Energy: 1.3679334844305924
Energy: 1.602041293517666
Energy: 1.3679334844305924
Energy: 1.6020412935216468
Energy: 1.3679334844297963
Energy: 1.4051079113757932
Energy: 1.527066959018262
Energy: 1.4051079113829588
Energy: 1.5270669590198545
Energy: 1.4051079113813667
Energy: 1.527066959018262
Energy: 1.5132304410905035
Energy: 1.318592588202742
Energy: 1.513230441088911
Energy: 1.3185925882003535
Energy: 1.5132304410865227
Energy: 1.3185925882003535
Energy: 1.3865403405212247
Energy: 1.434054102350754
Energy: 1.3865403405196324
Energy: 1.4340541023563271
Energy: 1.3865403405275942
Energy: 1.4340541023539386
Energy: 1.3522341176994037
Energy: 1.5383224573728413
Energy: 1.352234117695423
Energy: 1.5383224573712488
Energy: 1.3522341176994037
Energy: 1.5383224573664718
Energy: 1.5197056126141197
Energy: 1.4437133473676005
Energy: 1.5197056126133237
Energy: 1.4437133473676005
Energy: 1.519705612609343
Energy: 1.4437133473683967
Energy: 1.287897673114253
Energy: 1.5148655650760712
Energy: 1.287897673114253
Energy: 1.514865565075275
Energy: 1.2878976731198262
Energy: 1.514865565068109
Energy: 1.703275948293442
Energy: 1.3182061826353038
Energy: 1.7032759482926458
Energy: 1.3182061826353038
Energy: 1.7032759482910536
Energy: 1.3182061826353038
Energy: 1.2751190636810812
Energy: 1.56752685224871
Energy: 1.2751190636810812
Energy: 1.5675268508758609
Energy: 1.2751190636818048
Energy: 1.567526847835789
Energy: 1.6252349836671853
Energy: 1.2510879684344205
Energy: 1.6252349836632043
Energy: 1.2510879684360128
Energy: 1.6252349836624085
Energy: 1.2510879684336242
Energy: 1.3493550443883495
Energy: 1.3871295107997728
Energy: 1.3493550443867575
Energy: 1.3871295108005688
Energy: 1.3493550443875535
Energy: 1.3871295107989765
Energy: 1.614880901363551
Energy: 1.2967473882762424
Energy: 1.6148809013659395
Energy: 1.2967473882762424
Energy: 1.6148809013699206
Energy: 1.2967473882762424
Energy: 1.6285038664308726
Energy: 1.4650648399369366
Energy: 1.6285038664300764
Energy: 1.4650648399401214
Energy: 1.6285038664292804
Energy: 1.4650648399433062
Energy: 1.4124659432883808
Energy: 1.426622269784445
Energy: 1.4124659432883808
Energy: 1.426622269784445
Energy: 1.4124659432859923
Energy: 1.4266222697788717
Energy: 1.4124852808184158
Energy: 1.3799743020196984
Energy: 1.4124852808216006
Energy: 1.379974302018106
Energy: 1.412485280815231
Energy: 1.3799743020260677
Energy: 1.3679382801010083
Energy: 1.3666327078427223
Energy: 1.3679382801041928
Energy: 1.3666327078379452
Energy: 1.3679382801057853
Energy: 1.3666327078427223
Energy: 1.4889784992085442
Energy: 1.3183889051519948
Energy: 1.4889784992077482
Energy: 1.3183889051504025
Energy: 1.4889784992093404
Energy: 1.3183889051504025
Energy: 1.3224623749768234
Energy: 1.7961088978861979
Energy: 1.3224623749760271
Energy: 1.7961088978877906
Energy: 1.3224623749768234
Energy: 1.7961088978893827
Energy: 1.470980797269216
Energy: 1.437382589187394
Energy: 1.470980797270012
Energy: 1.4373825891881902
Energy: 1.4709807972708082
Energy: 1.437382589187394
Energy: 1.2672472128683028
Energy: 1.5659447438957923
Energy: 1.267247212869099
Energy: 1.5659447438989769
Energy: 1.2672472128714876
Energy: 1.5659447438941998

minimum gb energy = 1.2510879684336242 eV
minimum distance =  2.18356186930718 Angstroms
sigma value = 33


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

Energy: 1.6093263634587152
Energy: 1.5149520811591575
Energy: 1.6093263634582624
Energy: 1.5149520811596104
Energy: 1.6093263634587152
Energy: 1.5149520811605164
Energy: 1.5730749717156765
Energy: 1.3732064708877465
Energy: 1.5730749717156765
Energy: 1.3732064708872935
Energy: 1.5730749717125063
Energy: 1.3732064708881995
Energy: 1.3371768099725312
Energy: 1.3724778516014324
Energy: 1.3371768099788715
Energy: 1.3724778516018854
Energy: 1.337176809972984
Energy: 1.372477851599168
Energy: 1.5041482863825992
Energy: 1.5724366528545644
Energy: 1.5041482863812405
Energy: 1.572436652855017
Energy: 1.5041482863825992
Energy: 1.572436652855017
Energy: 1.4299445216155586
Energy: 1.4666447160866136
Energy: 1.42994452161737
Energy: 1.4666447160884253
Energy: 1.4299445216160114
Energy: 1.4666447160875196
Energy: 1.334163328352626
Energy: 1.3374851284959446
Energy: 1.3341633283557963
Energy: 1.3374851284954916
Energy: 1.3341633283539847
Energy: 1.33748512849685
Energy: 1.5156114512574428
Energy: 1.5333463116723038
Energy: 1.5156114512520495
Energy: 1.5333463116691337
Energy: 1.515611451253861
Energy: 1.5333463116691337
Energy: 1.2688328357622243
Energy: 1.6102705533453305
Energy: 1.268832835762677
Energy: 1.6102705533444246
Energy: 1.268832835759507
Energy: 1.6102705533430661
Energy: 1.3524019141034929
Energy: 1.342418227286539
Energy: 1.3524019141021344
Energy: 1.342418227286992
Energy: 1.3524019141039458
Energy: 1.342418227286992
Energy: 1.2841255320803777
Energy: 1.5946733505799278
Energy: 1.284125532079925
Energy: 1.5946733505744934
Energy: 1.2841255320772078
Energy: 1.5946733505808337
Energy: 1.6430181695402786
Energy: 1.2872504375835194
Energy: 1.6430181695362025
Energy: 1.2872504375835194
Energy: 1.6430181695362025
Energy: 1.2872504375839722
Energy: 1.3389191974467531
Energy: 1.4268560517457012
Energy: 1.3389191974467531
Energy: 1.4268560517475126
Energy: 1.3389191974472059
Energy: 1.4268560517457012
Energy: 1.4543709469891923
Energy: 1.289544556764649
Energy: 1.4543709469932267
Energy: 1.289544556764649
Energy: 1.4543709469909627
Energy: 1.289544556764196
Energy: 1.4533789564550124
Energy: 1.5131490790589346
Energy: 1.453378956453201
Energy: 1.5131490790553117
Energy: 1.453378956452295
Energy: 1.5131490790580289
Energy: 1.469200470473974
Energy: 1.371490798085312
Energy: 1.4692004704753325
Energy: 1.371490798088029
Energy: 1.4692004704753325
Energy: 1.371490798084859
Energy: 1.337704448932397
Energy: 1.371467231906737
Energy: 1.337704448933303
Energy: 1.371467231902661
Energy: 1.3377044489314915
Energy: 1.371467231909907
Energy: 1.5123605945241878
Energy: 1.4951331565912693
Energy: 1.5123605945228291
Energy: 1.4951331565917219
Energy: 1.5123605945246408
Energy: 1.4951331565917219
Energy: 1.4299248245840588
Energy: 1.3380305834464703
Energy: 1.4299248245849645
Energy: 1.3380305834460173
Energy: 1.4299248245881346
Energy: 1.3380305834455644
Energy: 1.3369821848471215
Energy: 1.3695436787445043
Energy: 1.3369821848475745
Energy: 1.3695436787476747
Energy: 1.3369821848471215
Energy: 1.3695436787449573
Energy: 1.518573852105272
Energy: 1.535960461532125
Energy: 1.518573852108895
Energy: 1.535960461532125
Energy: 1.518573852109348
Energy: 1.535960461532578
Energy: 1.2688996671068615
Energy: 1.6766703286987144
Energy: 1.2688996671068615
Energy: 1.6766703286928268
Energy: 1.26889966710822
Energy: 1.67667032869645
Energy: 1.5906104142133881
Energy: 1.342127754185368
Energy: 1.5906104142084068
Energy: 1.3421277541849153
Energy: 1.5906104142111237
Energy: 1.3421277541858208
Energy: 1.2851318392417037
Energy: 1.5948232756771272
Energy: 1.2851318392421567
Energy: 1.5948232756757688
Energy: 1.2851318392417037
Energy: 1.5948232756789387
Energy: 1.678883541907126
Energy: 1.4302394180182025
Energy: 1.678883541908032
Energy: 1.430239418020014
Energy: 1.678883541908032
Energy: 1.430239418019561
Energy: 1.3373126311218853
Energy: 1.3344167179939035
Energy: 1.3373126311209793
Energy: 1.3344167179966209
Energy: 1.3373126311191679
Energy: 1.334416717996168
Energy: 1.6116091681854778
Energy: 1.4962251429374553
Energy: 1.6116091681768734
Energy: 1.496225142935644
Energy: 1.6116091681714388
Energy: 1.4962251429351912
Energy: 1.6104873187137743
Energy: 1.4960499064989101
Energy: 1.61048731871468
Energy: 1.4960499065052504
Energy: 1.6104873187137743
Energy: 1.496049906503439
Energy: 1.3381289232809204
Energy: 1.371328294322195
Energy: 1.3381289232782032
Energy: 1.371328294325818
Energy: 1.338128923279109
Energy: 1.3713282943244594
Energy: 1.5940523072736696
Energy: 1.3730473881382605
Energy: 1.594052307272764
Energy: 1.3730473881378076
Energy: 1.5940523072736696
Energy: 1.3730473881378076
Energy: 1.2851535359908253
Energy: 1.6365111988408103
Energy: 1.2851535359912782
Energy: 1.6365111988394518
Energy: 1.2851535359908253
Energy: 1.6365111988408103
Energy: 1.5775345206154237
Energy: 1.342564501778986
Energy: 1.577534520607272
Energy: 1.342564501778986
Energy: 1.577534520610895
Energy: 1.3425645017785333
Energy: 1.289263868186957
Energy: 1.533479878364496
Energy: 1.289263868186957
Energy: 1.5334798783622317
Energy: 1.289263868186957
Energy: 1.5334798783658545
Energy: 1.5264315124900918
Energy: 1.5359495400888272
Energy: 1.5264315124905448
Energy: 1.5359495400888272
Energy: 1.5264315124923562
Energy: 1.5359495400892802
Energy: 1.3734266113810172
Energy: 1.4694664099769355
Energy: 1.373426611377847
Energy: 1.4694664099791996
Energy: 1.3734266113792057
Energy: 1.469466409978747
Energy: 1.372660639877372
Energy: 1.3374134655603647
Energy: 1.3726606398778247
Energy: 1.3374134655585532
Energy: 1.372660639876919
Energy: 1.3374134655630818
Energy: 1.577112464842007
Energy: 1.5056729070456731
Energy: 1.577112464842007
Energy: 1.5056729070443144
Energy: 1.577112464842007
Energy: 1.5056729070443144
Energy: 1.3382895512948625
Energy: 1.4302103490362694
Energy: 1.3382895512926392
Energy: 1.4302103490412508
Energy: 1.3382895512953155
Energy: 1.430210349040345
Energy: 1.337418237676026
Energy: 1.3344121848621804
Energy: 1.3374182376764787
Energy: 1.3344121848653503
Energy: 1.3374182376801018
Energy: 1.3344121848639918
Energy: 1.453136496502852
Energy: 1.5098811724095018
Energy: 1.4531364964969646
Energy: 1.509881172419012
Energy: 1.453136496499229
Energy: 1.5098811724253522
Energy: 1.6792840486264802
Energy: 1.266304012849129
Energy: 1.6792840486242158
Energy: 1.2663040128486762
Energy: 1.6792840486251217
Energy: 1.2663040128486762
Energy: 1.33894741616526
Energy: 1.3520001129409074
Energy: 1.338947416165713
Energy: 1.352000112941813
Energy: 1.33894741616526
Energy: 1.3520001129413601

minimum gb energy = 1.2663040128486762 eV
minimum distance =  2.32772558738981 Angstroms
sigma value = 51


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

Energy: 1.4605455437228265
Energy: 1.47294043263905
Energy: 1.4605455437228265
Energy: 1.4729404326400992
Energy: 1.4605455437228265
Energy: 1.4729404326411486
Energy: 1.5651201029664417
Energy: 1.3729129498577861
Energy: 1.565141075953253
Energy: 1.3729129498577861
Energy: 1.5651430556220227
Energy: 1.3729129498577861
Energy: 1.3371643028822817
Energy: 1.6885651184570512
Energy: 1.3371643028822817
Energy: 1.688565118456002
Energy: 1.3371643028822817
Energy: 1.688565118451805
Energy: 1.455724028082064
Energy: 1.2711173878676005
Energy: 1.455724028082064
Energy: 1.2711173878665512
Energy: 1.4557240280810146
Energy: 1.271117387865502
Energy: 1.4668570900087303
Energy: 1.3997835832749344
Energy: 1.4668570900087303
Energy: 1.3997835832717866
Energy: 1.46685709000978
Energy: 1.3997835832728358
Energy: 1.4665388566727218
Energy: 1.3997711340056715
Energy: 1.4665388566727218
Energy: 1.3997711340046224
Energy: 1.4665388566695738
Energy: 1.3997711340025236
Energy: 1.3969079560577449
Energy: 1.3994070872316016
Energy: 1.3969079560556465
Energy: 1.399407087236848
Energy: 1.3969079560556465
Energy: 1.3994070872357987
Energy: 1.3451912584682313
Energy: 1.40046062678084
Energy: 1.3451912584682313
Energy: 1.4004606267797906
Energy: 1.345191258471379
Energy: 1.4004606267776922
Energy: 1.6512065511749476
Energy: 1.2711040002393905
Energy: 1.6512065511749476
Energy: 1.2711040002393905
Energy: 1.6512065511728493
Energy: 1.2711040002393905
Energy: 1.318980988530731
Energy: 1.657754924506723
Energy: 1.318980988529682
Energy: 1.6577549245056733
Energy: 1.318980988529682
Energy: 1.6577549245077718
Energy: 1.5734437802909023
Energy: 1.2847067946628568
Energy: 1.5734437802384376
Energy: 1.2847067946628568
Energy: 1.5734437802562755
Energy: 1.2847067946628568
Energy: 1.4576066378984667
Energy: 1.475078741555454
Energy: 1.4576066379005652
Energy: 1.475078741555454
Energy: 1.457606637897417
Energy: 1.475078741552306
Energy: 1.6541714664462546
Energy: 1.3743536101944982
Energy: 1.6541714665291014
Energy: 1.3743536101944982
Energy: 1.6541714688323008
Energy: 1.3743536101944982
Energy: 1.3681178403314098
Energy: 1.3831792251759134
Energy: 1.3681178403293113
Energy: 1.3831792251696178
Energy: 1.3681178403272127
Energy: 1.383179225170667
Energy: 1.4370177576169425
Energy: 1.483852925113353
Energy: 1.4370177576158931
Energy: 1.4838529251144026
Energy: 1.4370177576158931
Energy: 1.4838529251144026
Energy: 1.4666509137190187
Energy: 1.3993767991645587
Energy: 1.4666509137232155
Energy: 1.3993767991635095
Energy: 1.4666509137190187
Energy: 1.399376799161411
Energy: 1.4665532312961187
Energy: 1.5155322607879438
Energy: 1.4665532312950695
Energy: 1.5155322607879438
Energy: 1.4665532312950695
Energy: 1.5155322607868946
Energy: 1.4294840885438433
Energy: 1.3994761175669104
Energy: 1.4294840885438433
Energy: 1.3994761175648118
Energy: 1.4294840885448927
Energy: 1.3994761175669104

minimum gb energy = 1.2711040002393905 eV
minimum distance =  2.1869729477014 Angstroms
sigma value = 19


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

Energy: 1.2396353802216964
Energy: 1.2162791048214516
Energy: 1.2396353802216964
Energy: 1.2162791048202066
Energy: 1.2396353802223186
Energy: 1.2162791048202066
Energy: 1.3871818667858618
Energy: 1.4635672496405558
Energy: 1.3871818667858618
Energy: 1.4635672496418004
Energy: 1.3871818667870783
Energy: 1.4635672496430454
Energy: 1.1427219054076012
Energy: 1.4617823524274938
Energy: 1.1427219054057338
Energy: 1.461782352426249
Energy: 1.1427219054069788
Energy: 1.4617823524231368
Energy: 1.3059101505539752
Energy: 1.1429844344231619
Energy: 1.3059101505533528
Energy: 1.1429844344231619
Energy: 1.3059101505545976
Energy: 1.1429844344225395
Energy: 1.2001884903938036
Energy: 1.2367942156114118
Energy: 1.2001884903950484
Energy: 1.2367942156114118
Energy: 1.2001884903950484
Energy: 1.2367942156114118
Energy: 1.2001518851872968
Energy: 1.236718902847512
Energy: 1.2001518851835622
Energy: 1.2367189028468895
Energy: 1.200151885186052
Energy: 1.2367189028487569
Energy: 1.3059557431429538
Energy: 1.1429847365222192
Energy: 1.3059557431410866
Energy: 1.1429847365215966
Energy: 1.3059557431392197
Energy: 1.1429847365191073
Energy: 1.1427315571678507
Energy: 1.4617584933693797
Energy: 1.1427315571690952
Energy: 1.4617584933656451
Energy: 1.142731557168473
Energy: 1.46175849336689
Energy: 1.3871547554064552
Energy: 1.4635341669488118
Energy: 1.3871547554077
Energy: 1.4635341669481892
Energy: 1.387154755410812
Energy: 1.4635341669481892
Energy: 1.2396353802216964
Energy: 1.216279104820829
Energy: 1.2396353802223186
Energy: 1.2162791048214516
Energy: 1.2396353802216964
Energy: 1.216279104820829
Energy: 1.3871818667864844
Energy: 1.4635672496399332
Energy: 1.3871818667852394
Energy: 1.4635672496411782
Energy: 1.3871818667870783
Energy: 1.463567249642423
Energy: 1.1427219054082236
Energy: 1.4617823524274938
Energy: 1.1427219054082236
Energy: 1.4617823524256266
Energy: 1.1427219054063564
Energy: 1.4617823524243818
Energy: 1.3059101505558426
Energy: 1.142984434421917
Energy: 1.30591015055522
Energy: 1.1429844344231619
Energy: 1.3059101505545976
Energy: 1.1429844344225395
Energy: 1.200188490393181
Energy: 1.236794215610167
Energy: 1.2001884903962932
Energy: 1.2367942156107892
Energy: 1.2001884903956708
Energy: 1.2367942156107892
Energy: 1.2001518851841846
Energy: 1.2367189028481345
Energy: 1.2001518851854294
Energy: 1.236718902847512
Energy: 1.2001518851841846
Energy: 1.236718902847512
Energy: 1.3059557431410866
Energy: 1.1429847365215966
Energy: 1.3059557431417093
Energy: 1.1429847365197296
Energy: 1.3059557431417093
Energy: 1.1429847365203518
Energy: 1.1427315571678507
Energy: 1.4617584933675123
Energy: 1.142731557167228
Energy: 1.4617584933687573
Energy: 1.142731557167228
Energy: 1.4617584933675123
Energy: 1.3871547554077
Energy: 1.4635341669463504
Energy: 1.3871547554083223
Energy: 1.4635341669475672
Energy: 1.3871547554095673
Energy: 1.4635341669481892
Energy: 1.2396353802216964
Energy: 1.216279104820829
Energy: 1.2396353802210738
Energy: 1.2162791048202066
Energy: 1.2396353802216964
Energy: 1.2162791048202066
Energy: 1.3871818667870783
Energy: 1.4635672496399332
Energy: 1.3871818667870783
Energy: 1.4635672496418004
Energy: 1.3871818667852394
Energy: 1.4635672496418004
Energy: 1.1427219054057338
Energy: 1.4617823524268712
Energy: 1.1427219054057338
Energy: 1.4617823524256266
Energy: 1.1427219054063564
Energy: 1.4617823524243818
Energy: 1.3059101505533528
Energy: 1.1429844344225395
Energy: 1.30591015055522
Energy: 1.1429844344237845
Energy: 1.3059101505558426
Energy: 1.1429844344231619
Energy: 1.2001884903956708
Energy: 1.236794215610167
Energy: 1.200188490394426
Energy: 1.2367942156107892
Energy: 1.2001884903925586
Energy: 1.2367942156107892
Energy: 1.2001518851841846
Energy: 1.2367189028481345
Energy: 1.2001518851848072
Energy: 1.2367189028481345
Energy: 1.2001518851848072
Energy: 1.2367189028468895
Energy: 1.3059557431423316
Energy: 1.1429847365222192
Energy: 1.3059557431429538
Energy: 1.1429847365222192
Energy: 1.3059557431423316
Energy: 1.1429847365209744
Energy: 1.142731557167228
Energy: 1.4617584933693797
Energy: 1.1427315571697179
Energy: 1.4617584933656451
Energy: 1.142731557166606
Energy: 1.4617584933650227
Energy: 1.387154755408945
Energy: 1.4635341669481892
Energy: 1.3871547554083223
Energy: 1.4635341669481892
Energy: 1.3871547554070778
Energy: 1.4635341669481892
Energy: 1.2396353802216964
Energy: 1.216279104820829
Energy: 1.2396353802216964
Energy: 1.216279104820829
Energy: 1.2396353802216964
Energy: 1.216279104820829
Energy: 1.387181866784617
Energy: 1.4635672496399332
Energy: 1.3871818667852394
Energy: 1.4635672496411782
Energy: 1.3871818667852394
Energy: 1.4635672496430454
Energy: 1.1427219054051114
Energy: 1.4617823524274938
Energy: 1.1427219054051114
Energy: 1.4617823524281162
Energy: 1.1427219054063564
Energy: 1.4617823524225146

minimum gb energy = 1.1427219054051114 eV
minimum distance =  2.20673778045186 Angstroms
sigma value = 27


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

Energy: 1.2213173338490864
Energy: 1.1668512895312178
Energy: 1.2213173338490864
Energy: 1.1668512895327425
Energy: 1.2213173338490864
Energy: 1.1668512895296934
Energy: 1.547618997153021
Energy: 1.2462025846932023
Energy: 1.5476189971514966
Energy: 1.2462025846947271
Energy: 1.547618997154546
Energy: 1.2462025846932023
Energy: 1.1963420717926097
Energy: 1.3803072957946871
Energy: 1.1963420717926097
Energy: 1.3803072957946871
Energy: 1.196342071795659
Energy: 1.3803072957946871
Energy: 1.563430814109266
Energy: 1.1306870413262347
Energy: 1.563430814109266
Energy: 1.1306870413262347
Energy: 1.563430814109266
Energy: 1.1306870413308083
Energy: 1.5648238529863283
Energy: 1.1306122630593507
Energy: 1.5648238529848035
Energy: 1.1306122630593507
Energy: 1.5648238529863283
Energy: 1.1306122630593507
Energy: 1.3478288291347196
Energy: 1.4269121291067222
Energy: 1.3478288291316707
Energy: 1.4269121291067222
Energy: 1.347828829133195
Energy: 1.4269121291067222
Energy: 1.2490094550341935
Energy: 1.2484330548110798
Energy: 1.2490094550341935
Energy: 1.2484330548110798
Energy: 1.249009455035718
Energy: 1.2484330548110798
Energy: 1.2163186834227018
Energy: 1.1666005190102375
Energy: 1.2163186834242263
Energy: 1.1666005190102375
Energy: 1.2163186834242263
Energy: 1.1666005190102375
Energy: 1.5478587330875082
Energy: 1.1958693601640347
Energy: 1.5478587330890325
Energy: 1.1958693601686083
Energy: 1.5478587330875082
Energy: 1.1958693601716577
Energy: 1.326202472281996
Energy: 1.402326930460898
Energy: 1.326202472281996
Energy: 1.4023269304593737
Energy: 1.326202472281996
Energy: 1.402326930460898
Energy: 1.1666942622653433
Energy: 1.131339530633934
Energy: 1.166694262266868
Energy: 1.131339530633934
Energy: 1.1666942622653433
Energy: 1.131339530633934
Energy: 1.4186673266228367
Energy: 1.2895706112559062
Energy: 1.4186673266228367
Energy: 1.2895706112543817
Energy: 1.4186673266228367
Energy: 1.2895706112543817

minimum gb energy = 1.1306122630593507 eV
minimum distance =  2.18279025917127 Angstroms
sigma value = 9


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

Energy: 1.1893940213589678
Energy: 1.166512396661923
Energy: 1.1893940213598244
Energy: 1.1665123966610664
Energy: 1.189394021359396
Energy: 1.166512396661923
Energy: 1.5564835418564478
Energy: 1.1102334700913201
Energy: 1.5564835418611598
Energy: 1.1102334700921768
Energy: 1.5564835418551626
Energy: 1.1102334700917484
Energy: 1.0477142888046793
Energy: 1.5070228027198007
Energy: 1.0477142888059645
Energy: 1.5070228027189438
Energy: 1.0477142888051076
Energy: 1.5070228027146602
Energy: 1.1116807468306074
Energy: 1.0501638517818972
Energy: 1.1116807468297507
Energy: 1.0501638517823255
Energy: 1.1116807468301788
Energy: 1.0501638517746148
Energy: 1.1578944026293638
Energy: 1.1151409567965662
Energy: 1.1578944026289353
Energy: 1.1151409567969948
Energy: 1.1578944026285067
Energy: 1.1151409567965662
Energy: 1.1698350618276947
Energy: 1.1553460147655494
Energy: 1.1698350618264095
Energy: 1.1553460147646928
Energy: 1.1698350618285516
Energy: 1.1553460147634076
Energy: 1.0992128392947382
Energy: 1.2172076204667586
Energy: 1.0992128393007352
Energy: 1.2172076204689002
Energy: 1.0992128392998786
Energy: 1.2172076204671867
Energy: 1.0172159950647461
Energy: 1.2488309670801792
Energy: 1.0172159950651742
Energy: 1.2488309670793225
Energy: 1.0172159950647461
Energy: 1.248830967079751
Energy: 1.3942006016056483
Energy: 1.1152719084784233
Energy: 1.3942006016159294
Energy: 1.1152719084784233
Energy: 1.3942006016090753
Energy: 1.1152719084779947
Energy: 1.2024004395334957
Energy: 1.527418757400626
Energy: 1.2024004395283552
Energy: 1.5274187574010543
Energy: 1.2024004395313537
Energy: 1.5274187574014826
Energy: 1.1103871604821074
Energy: 1.0572771078591663
Energy: 1.1103871604838211
Energy: 1.0572771078587382
Energy: 1.1103871604842492
Energy: 1.0572771078587382
Energy: 1.0872311303703623
Energy: 1.2299105658989191
Energy: 1.087231130369934
Energy: 1.2299105658972054
Energy: 1.0872311303695057
Energy: 1.2299105658972054
Energy: 1.1420442866313922
Energy: 1.1254534367826452
Energy: 1.1420442866386746
Energy: 1.1254534367779332
Energy: 1.1420442866339626
Energy: 1.1254534367809317
Energy: 1.1855977329575331
Energy: 1.29536398432655
Energy: 1.1855977329541063
Energy: 1.2953639843274067
Energy: 1.1855977329502507
Energy: 1.295363984328692
Energy: 1.0787003740510295
Energy: 1.2009033039050128
Energy: 1.0787003740523147
Energy: 1.200903303905441
Energy: 1.078700374054028
Energy: 1.200903303905441
Energy: 1.066948966839605
Energy: 1.1306559234403364
Energy: 1.066948966845602
Energy: 1.1306559234433353
Energy: 1.0669489668434602
Energy: 1.1306559234450486
Energy: 1.3686041998861807
Energy: 1.3400904961053037
Energy: 1.3686041998861807
Energy: 1.3400904961130142
Energy: 1.3686041998861807
Energy: 1.3400904961087305
Energy: 1.0952154769530889
Energy: 1.1152567624016891
Energy: 1.0952154769582292
Energy: 1.1152567624021175
Energy: 1.0952154769603712
Energy: 1.1152567624016891
Energy: 1.0130158929574506
Energy: 1.4618445529930975
Energy: 1.013015892954452
Energy: 1.4618445529982378
Energy: 1.0130158929501683
Energy: 1.4618445529986661
Energy: 1.5201180205000036
Energy: 1.0137012275725026
Energy: 1.5201180205000036
Energy: 1.0137012275780715
Energy: 1.5201180205000036
Energy: 1.0137012275819268
Energy: 1.0133720250875733
Energy: 1.461794483695079
Energy: 1.0133720250922853
Energy: 1.461794483695079
Energy: 1.0133720250918572
Energy: 1.4617944836959356
Energy: 1.0952020249730756
Energy: 1.1152711261450903
Energy: 1.0952020249662215
Energy: 1.1152711261450903
Energy: 1.0952020249687917
Energy: 1.1152711261450903
Energy: 1.3685196005994862
Energy: 1.3400979890117173
Energy: 1.3685196005994862
Energy: 1.340097989012574
Energy: 1.3685196005999147
Energy: 1.3400979890121456
Energy: 1.066820387823831
Energy: 1.1008633857705623
Energy: 1.0668203878182623
Energy: 1.1008633857709906
Energy: 1.0668203878229745
Energy: 1.1008633857761312
Energy: 1.0786682111941779
Energy: 1.2008797467649028
Energy: 1.0786682111963197
Energy: 1.2008797467644745
Energy: 1.0786682111950345
Energy: 1.2008797467649028
Energy: 1.1856040964949637
Energy: 1.2953489841285124
Energy: 1.1856040964932502
Energy: 1.2953489841285124
Energy: 1.185604096497534
Energy: 1.2953489841289407
Energy: 1.1427493032128133
Energy: 1.1254689347021853
Energy: 1.1427493032170968
Energy: 1.1254689347021853
Energy: 1.1427493032085294
Energy: 1.1254689347013287
Energy: 1.0872436942791717
Energy: 1.0747361747488258
Energy: 1.087243694278315
Energy: 1.0747361747488258
Energy: 1.0872436942787433
Energy: 1.0747361747458268
Energy: 1.1103260514487643
Energy: 1.0575038909461127
Energy: 1.110326051447051
Energy: 1.057503890946541
Energy: 1.1103260514487643
Energy: 1.0575038909461127
Energy: 1.2024439540648926
Energy: 1.5654843423028855
Energy: 1.2024439540657492
Energy: 1.5654843423007436
Energy: 1.202443954064036
Energy: 1.565484342299887
Energy: 1.394315008456608
Energy: 1.114977793786787
Energy: 1.394315008459607
Energy: 1.1149777937872152
Energy: 1.394315008459607
Energy: 1.114977793786787
Energy: 1.0172461123815475
Energy: 1.2487980000497427
Energy: 1.0172461123824041
Energy: 1.2487980000501708
Energy: 1.017246112383261
Energy: 1.2487980000497427
Energy: 1.0991565059653554
Energy: 1.2171695321576166
Energy: 1.0991565059666406
Energy: 1.21716953215676
Energy: 1.0991565059576447
Energy: 1.2171695321576166
Energy: 1.1697113205912002
Energy: 1.3626336441916447
Energy: 1.1697113205912002
Energy: 1.3626336441903595
Energy: 1.1697113205899152
Energy: 1.3626336441903595
Energy: 1.1579540709590526
Energy: 1.115189040237122
Energy: 1.157954070958196
Energy: 1.1151890402362654
Energy: 1.157954070958196
Energy: 1.1151890402362654
Energy: 1.1116867972273101
Energy: 1.050054656348841
Energy: 1.1116867972273101
Energy: 1.050054656347556
Energy: 1.1116867972277387
Energy: 1.0500546563505546
Energy: 1.0476118541957393
Energy: 1.5067322843810849
Energy: 1.0476118541970245
Energy: 1.5067322843853685
Energy: 1.0476118541961679
Energy: 1.5067322843853685
Energy: 1.5563553539529562
Energy: 1.2259372653021243
Energy: 1.556355353953813
Energy: 1.2259372653004108
Energy: 1.5563553539529562
Energy: 1.225937265298269
Energy: 1.1893940213589678
Energy: 1.1665123966610664
Energy: 1.189394021359396
Energy: 1.1665123966610664
Energy: 1.189394021359396
Energy: 1.1665123966606379
Energy: 1.5564835418573044
Energy: 1.10972139228236
Energy: 1.556483541857733
Energy: 1.1097213922819318
Energy: 1.556483541857733
Energy: 1.1097213922815035
Energy: 1.0477142888025377
Energy: 1.5070228027189438
Energy: 1.0477142888038227
Energy: 1.5070228027176589
Energy: 1.0477142888033943
Energy: 1.5070228027155168
Energy: 1.1116807468310355
Energy: 1.0501638517797554
Energy: 1.1116807468310355
Energy: 1.0501638517788987
Energy: 1.1116807468310355
Energy: 1.0501638517827538
Energy: 1.157894402629792
Energy: 1.1151409567969948
Energy: 1.157894402630649
Energy: 1.1151409567965662
Energy: 1.1578944026289353
Energy: 1.1151409567965662

minimum gb energy = 1.0130158929501683 eV
minimum distance =  2.26327366229367 Angstroms
sigma value = 57


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

Energy: 0.5307217300135006
Energy: 0.543544196025878
Energy: 0.5307217300135006
Energy: 0.5435441960268531
Energy: 0.5307217300144759
Energy: 0.5435441960268531
Energy: 0.6943958584650762
Energy: 0.5317798772026164
Energy: 0.6943958584650762
Energy: 0.5317798772026164
Energy: 0.6943958584650762
Energy: 0.5317798772035915
Energy: 0.6037838694479223
Energy: 0.6692795830333755
Energy: 0.6037838694469471
Energy: 0.6692795830343506
Energy: 0.6037838694479223
Energy: 0.6692795830343506
Energy: 0.544661748520375
Energy: 0.5300507703883518
Energy: 0.544661748520375
Energy: 0.5300507703873768
Energy: 0.5446617485242312
Energy: 0.5300507703883518
Energy: 0.6943120579683911
Energy: 0.7013601710178171
Energy: 0.6943120579693662
Energy: 0.701360171016842
Energy: 0.6943120579693662
Energy: 0.701360171016842
Energy: 0.5302697325523732
Energy: 0.6037075129533025
Energy: 0.5302697325523732
Energy: 0.6037075129542776
Energy: 0.530269732550423
Energy: 0.6037075129533025
Energy: 0.5302786066884436
Energy: 0.6036869747531777
Energy: 0.5302786066874685
Energy: 0.6036869747531777
Energy: 0.5302786066884436
Energy: 0.6036869747531777
Energy: 0.6943462754743046
Energy: 0.7013624075742092
Energy: 0.6943462754743046
Energy: 0.7013624075742092
Energy: 0.6943462754752797
Energy: 0.7013624075742092
Energy: 0.5446521220458175
Energy: 0.5300520208613068
Energy: 0.5446521220419613
Energy: 0.5300520208613068
Energy: 0.5446521220467926
Energy: 0.530052020862282
Energy: 0.6037576262065927
Energy: 0.6695992376306111
Energy: 0.6037576262065927
Energy: 0.6695992376306111
Energy: 0.6037576262065927
Energy: 0.6695992376306111
Energy: 0.6947792544468352
Energy: 0.5323944090327978
Energy: 0.6947792544468352
Energy: 0.5323944090337729
Energy: 0.6947792544468352
Energy: 0.5323944090327978
Energy: 0.5307217300144759
Energy: 0.5435441960268531
Energy: 0.5307217300144759
Energy: 0.543544196025878
Energy: 0.5307217300144759
Energy: 0.5435441960268531
Energy: 0.6943958584650762
Energy: 0.5317798772026164
Energy: 0.6943958584650762
Energy: 0.5317798772026164
Energy: 0.6943958584650762
Energy: 0.5317798772026164
Energy: 0.6037838694469471
Energy: 0.6692795830333755
Energy: 0.6037838694469471
Energy: 0.6692795830333755
Energy: 0.6037838694469471
Energy: 0.6692795830333755
Energy: 0.5446617485242312
Energy: 0.5300507703854266
Energy: 0.5446617485222809
Energy: 0.5300507703864017
Energy: 0.5446617485271565
Energy: 0.5300507703883518
Energy: 0.6943120579693662
Energy: 0.701360171016842
Energy: 0.6943120579683911
Energy: 0.701360171016842
Energy: 0.6943120579683911
Energy: 0.701360171016842
Energy: 0.5302697325513982
Energy: 0.6037075129533025
Energy: 0.5302697325513982
Energy: 0.6037075129533025
Energy: 0.5302697325513982
Energy: 0.6037075129533025
Energy: 0.5302786066874685
Energy: 0.6036869747531777
Energy: 0.5302786066884436
Energy: 0.6036869747531777
Energy: 0.5302786066884436
Energy: 0.6036869747531777
Energy: 0.6943462754743046
Energy: 0.7013624075742092
Energy: 0.6943462754743046
Energy: 0.701362407573234
Energy: 0.6943462754733294
Energy: 0.701362407573234

minimum gb energy = 0.5300507703854266 eV
minimum distance =  2.41081464871071 Angstroms
sigma value = 11


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

Energy: 1.0646992865297715
Energy: 1.155052988315481
Energy: 1.064699286530486
Energy: 1.155052988315481
Energy: 1.0646992865312002
Energy: 1.1550529883161955
Energy: 1.1976956685686315
Energy: 1.1107715912304104
Energy: 1.1976956685693458
Energy: 1.1107715912311247
Energy: 1.1976956685693458
Energy: 1.1107715912304104
Energy: 1.1652980289196389
Energy: 1.499135088096603
Energy: 1.1652980289189248
Energy: 1.4991350880994603
Energy: 1.1652980289189248
Energy: 1.499135088091603
Energy: 1.2918756914575902
Energy: 0.9403287567078519
Energy: 1.2918756914575902
Energy: 0.9403287567071376
Energy: 1.2918756914575902
Energy: 0.9403287567078519
Energy: 1.09647658644865
Energy: 0.9021252984893486
Energy: 1.09647658644865
Energy: 0.9021252984893486
Energy: 1.09647658644865
Energy: 0.9021252984893486
Energy: 1.0833244745741935
Energy: 1.2245578742012875
Energy: 1.0833244745734791
Energy: 1.224557874202002
Energy: 1.0833244745749078
Energy: 1.2245578742027161
Energy: 0.9036508181668743
Energy: 1.2597731688875307
Energy: 0.9036508181668743
Energy: 1.2597731688868166
Energy: 0.9036508181675886
Energy: 1.2597731688868166
Energy: 1.1573536370768605
Energy: 0.8661583439197504
Energy: 1.1573536370761464
Energy: 0.8661583439183219
Energy: 1.1573536370768605
Energy: 0.8661583439183219
Energy: 1.1389070019472562
Energy: 0.8685743597707246
Energy: 1.1389070019479706
Energy: 0.8685743597700103
Energy: 1.1389070019479706
Energy: 0.8685743597700103
Energy: 0.8923662049877967
Energy: 1.3888957009294511
Energy: 0.8923662049899396
Energy: 1.3888957009301655
Energy: 0.8923662049870824
Energy: 1.3888957009301655
Energy: 1.1011350954388905
Energy: 1.383685865178361
Energy: 1.1011350954388905
Energy: 1.3836858651790753
Energy: 1.1011350954388905
Energy: 1.3836858651790753
Energy: 1.1131603199586846
Energy: 0.9048193496159025
Energy: 1.1131603199593991
Energy: 0.9048193496159025
Energy: 1.1131603199586846
Energy: 0.9048193496166168
Energy: 1.1742837422232097
Energy: 0.9448026822872984
Energy: 1.1742837422224952
Energy: 0.9448026822880126
Energy: 1.1742837422224952
Energy: 0.9448026822880126
Energy: 1.2314562333851398
Energy: 1.4984559513331779
Energy: 1.2314562333851398
Energy: 1.4984559513346065
Energy: 1.2314562333851398
Energy: 1.4984559513346065
Energy: 1.197286128298496
Energy: 1.1132184454675753
Energy: 1.197286128298496
Energy: 1.1132184454675753
Energy: 1.19728612829921
Energy: 1.1132184454682894
Energy: 0.9728815885900798
Energy: 1.1545726035648076
Energy: 0.9728815885915084
Energy: 1.154572603565522
Energy: 0.9728815885900798
Energy: 1.1545726035648076
Energy: 1.0279905146689536
Energy: 1.1082729943713323
Energy: 1.0279905146689536
Energy: 1.108272994370618
Energy: 1.0279905146696677
Energy: 1.108272994370618
Energy: 1.4194686343179124
Energy: 1.4601529983452513
Energy: 1.4194686343179124
Energy: 1.4601529983516799
Energy: 1.4194686343179124
Energy: 1.4601529983488228
Energy: 1.2781425693622455
Energy: 0.937775508759794
Energy: 1.2781425693629598
Energy: 0.9377755087590797
Energy: 1.278142569363674
Energy: 0.937775508759794
Energy: 1.1119418539934796
Energy: 1.0360641440136564
Energy: 1.1119418539927652
Energy: 1.0360641440129421
Energy: 1.1119418539927652
Energy: 1.0360641440136564
Energy: 0.8910895184179496
Energy: 1.223237287752309
Energy: 0.8910895184186638
Energy: 1.223237287752309
Energy: 0.8910895184186638
Energy: 1.2232372877508801
Energy: 1.1427338946579602
Energy: 1.2615444657371584
Energy: 1.1427338946565315
Energy: 1.2615444657371584
Energy: 1.1427338946558172
Energy: 1.261544465736444
Energy: 1.2502587067569433
Energy: 1.049054230834664
Energy: 1.2502587067569433
Energy: 1.0490542308339497
Energy: 1.2502587067569433
Energy: 1.0490542308339497
Energy: 1.1373916576931318
Energy: 1.0124502796224428
Energy: 1.1373916576931318
Energy: 1.012450279623157
Energy: 1.1373916576931318
Energy: 1.0124502796224428
Energy: 0.8912043237534324
Energy: 1.3892156900639654
Energy: 0.8912043237527182
Energy: 1.389215690063251
Energy: 0.8912043237520039
Energy: 1.38921569006468
Energy: 1.5891101408936057
Energy: 1.3885448576391637
Energy: 1.5891101408921773
Energy: 1.3885448576384494
Energy: 1.5891101408936057
Energy: 1.3885448576391637

minimum gb energy = 0.8661583439183219 eV
minimum distance =  2.27497953780104 Angstroms
sigma value = 41


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

Energy: 1.1954526674513073
Energy: 1.0026510157530921
Energy: 1.1954526674513073
Energy: 1.002651015753655
Energy: 1.1954526674513073
Energy: 1.0026510157519661
Energy: 1.2654089629293392
Energy: 1.3026250361517306
Energy: 1.2654089629293392
Energy: 1.3026250361517306
Energy: 1.265408962930465
Energy: 1.3026250361517306
Energy: 1.5151209499918028
Energy: 1.7292345043259727
Energy: 1.5151209499918028
Energy: 1.7292345043259727
Energy: 1.5151209499918028
Energy: 1.7292345043231578
Energy: 1.1669881994027647
Energy: 0.998893019656517
Energy: 1.1669881994033275
Energy: 0.998893019656517
Energy: 1.1669881994027647
Energy: 0.998893019656517
Energy: 0.9576026906531945
Energy: 1.052295885694499
Energy: 0.9576026906531945
Energy: 1.0522958856939362
Energy: 0.9576026906531945
Energy: 1.0522958856939362
Energy: 1.2346603333865789
Energy: 1.4745605526034744
Energy: 1.2346603333854531
Energy: 1.4745605526034744
Energy: 1.2346603333854531
Energy: 1.4745605526034744
Energy: 0.9972895949124304
Energy: 1.4538302966961887
Energy: 0.9972895949118674
Energy: 1.4538302966956256
Energy: 0.9972895949118674
Energy: 1.4538302966956256
Energy: 0.9834456122992365
Energy: 0.9988314698748575
Energy: 0.9834456122981106
Energy: 0.9988314698737314
Energy: 0.9834456122986736
Energy: 0.9988314698742945
Energy: 0.9772870683642776
Energy: 1.0347050577721668
Energy: 0.9772870683637146
Energy: 1.0347050577721668
Energy: 0.9772870683642776
Energy: 1.0347050577727297
Energy: 1.0698515672411806
Energy: 1.5745487706638817
Energy: 1.0698515672411806
Energy: 1.5745487706644445
Energy: 1.0698515672406177
Energy: 1.5745487706638817
Energy: 1.066212171712144
Energy: 1.5760900787732446
Energy: 1.066212171712144
Energy: 1.5760900787726817
Energy: 1.066212171712144
Energy: 1.5760900787726817
Energy: 0.9653845048587532
Energy: 1.1657556078095546
Energy: 0.9653845048581902
Energy: 1.1657556078095546
Energy: 0.9653845048581902
Energy: 1.1657556078101177
Energy: 0.9789625160655323
Energy: 0.9988572188202769
Energy: 0.9789625160644063
Energy: 0.9988572188264697
Energy: 0.9789625160649693
Energy: 0.9988572188242177
Energy: 0.9332831321460585
Energy: 1.368334257027078
Energy: 0.9332831321460585
Energy: 1.368334257025952
Energy: 0.9332831321460585
Energy: 1.3683342570304562
Energy: 1.2350273091547972
Energy: 1.475066991162625
Energy: 1.2350273091559232
Energy: 1.475066991162625
Energy: 1.2350273091547972
Energy: 1.475066991162625
Energy: 0.9342250442680774
Energy: 1.1940549724821121
Energy: 0.9342250442697665
Energy: 1.1940549724821121
Energy: 0.9342250442714553
Energy: 1.1940549724821121
Energy: 0.9879057163421598
Energy: 0.9989146059567603
Energy: 0.987905716340471
Energy: 0.9989146059640791
Energy: 0.987905716340471
Energy: 0.9989146059561973
Energy: 1.3144584225607299
Energy: 1.7315596279333676
Energy: 1.3144584225601668
Energy: 1.7315596279328047
Energy: 1.3144584225601668
Energy: 1.7315596279333676
Energy: 1.287680284871544
Energy: 1.3009533585378643
Energy: 1.287680284869855
Energy: 1.3009533585378643
Energy: 1.287680284869855
Energy: 1.3009533585378643
Energy: 1.066124207031003
Energy: 1.1066635094639807
Energy: 1.0661242070276251
Energy: 1.1066635094656696
Energy: 1.066124207029877
Energy: 1.1066635094617288
Energy: 0.9763012163678597
Energy: 1.3199317932990602
Energy: 0.9763012163695486
Energy: 1.319931793299623
Energy: 0.9763012163672967
Energy: 1.319931793299623
Energy: 1.1506703869247696
Energy: 1.619023035580021
Energy: 1.1506703869258956
Energy: 1.619023035581147
Energy: 1.1506703869258956
Energy: 1.619023035581147
Energy: 1.1678406317119638
Energy: 0.9960985586971867
Energy: 1.1678406317130898
Energy: 0.9960985586966237
Energy: 1.1678406317108379
Energy: 0.9960985586966237
Energy: 0.9343513280136774
Energy: 1.1842164513436177
Energy: 0.9343513280142404
Energy: 1.1842164513430549
Energy: 0.9343513280159291
Energy: 1.1842164513447437
Energy: 0.9354257164400747
Energy: 1.3835334659005354
Energy: 0.9354257164406379
Energy: 1.3835334659005354
Energy: 0.9354257164406379
Energy: 1.3835334659005354
Energy: 0.9971625753839021
Energy: 1.360018877353966
Energy: 0.9971625753850283
Energy: 1.36001887735284
Energy: 0.9971625753793982
Energy: 1.36001887735284
Energy: 0.9787978447575193
Energy: 0.9960013537161946
Energy: 0.9787978447575193
Energy: 0.9960013537156316
Energy: 0.9787978447575193
Energy: 0.9960013537161946
Energy: 0.9771186968822426
Energy: 1.1664564777216049
Energy: 0.9771186968811165
Energy: 1.1664564777216049
Energy: 0.9771186968822426
Energy: 1.166456477722168
Energy: 1.0666387547219454
Energy: 1.3257558885905398
Energy: 1.0666387547219454
Energy: 1.3257558885905398
Energy: 1.0666387547219454
Energy: 1.3257558885905398
Energy: 1.4363875330887903
Energy: 1.3052163340827956
Energy: 1.4363875330899165
Energy: 1.3052163340816696
Energy: 1.4363875330904792
Energy: 1.3052163340850476
Energy: 0.9588721327194953
Energy: 1.1666887450392869
Energy: 0.9588721327194953
Energy: 1.1666887450392869
Energy: 0.9588721327189326
Energy: 1.1666887450392869
Energy: 0.9925873228611385
Energy: 1.017004831756894
Energy: 0.9925873228611385
Energy: 1.0170048317580198
Energy: 0.9925873228611385
Energy: 1.017004831757457
Energy: 0.9350229745230103
Energy: 1.2165098481374166
Energy: 0.9350229745230103
Energy: 1.2165098481362906
Energy: 0.9350229745230103
Energy: 1.2165098481368535

minimum gb energy = 0.9332831321460585 eV
minimum distance =  2.3074663450201 Angstroms
sigma value = 33


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

Energy: 1.13525815473881
Energy: 1.0283836085977676
Energy: 1.1352581547408216
Energy: 1.0283836085977676
Energy: 1.1352581547396003
Energy: 1.0283836086072502
Energy: 1.1653636983071483
Energy: 0.9929377919665104
Energy: 1.1653636983043465
Energy: 0.9929377919657202
Energy: 1.1653636983031972
Energy: 0.9929377919668697
Energy: 1.0845081090413067
Energy: 1.6054638708412041
Energy: 1.084508109042097
Energy: 1.6054638708423534
Energy: 1.0845081090472692
Energy: 1.6054638708423534
Energy: 1.074106737947888
Energy: 1.0193717815948757
Energy: 1.0741067379506175
Energy: 1.0193717815940855
Energy: 1.0741067379534195
Energy: 1.0193717815944445
Energy: 1.0429157813957732
Energy: 1.020904369467593
Energy: 1.0429157813961325
Energy: 1.0209043695592592
Energy: 1.0429157813957732
Energy: 1.0209043693119901
Energy: 1.380598499158415
Energy: 1.0573496310571995
Energy: 1.3805984991603546
Energy: 1.0573496310576307
Energy: 1.3805984991599956
Energy: 1.0573496310576307
Energy: 1.0468376741042715
Energy: 1.1544075218058063
Energy: 1.0468376741042715
Energy: 1.1544075218053755
Energy: 1.0468376741042715
Energy: 1.1544075218058063
Energy: 1.1134502084626603
Energy: 1.1347830024694399
Energy: 1.113450208466252
Energy: 1.1347830024694399
Energy: 1.1134502084694131
Energy: 1.1347830024682906
Energy: 1.0819583470682153
Energy: 1.0736402852904492
Energy: 1.081958347070586
Energy: 1.0736402852920295
Energy: 1.0819583470729566
Energy: 1.0736402852944003
Energy: 1.4514267418297335
Energy: 1.0336853861721207
Energy: 1.4514267418305238
Energy: 1.0336853861721207
Energy: 1.4514267418297335
Energy: 1.0336853861721207
Energy: 1.107759615689787
Energy: 1.1090378539366998
Energy: 1.1077596156889968
Energy: 1.1090378539359096
Energy: 1.1077596156882066
Energy: 1.1090378539378494
Energy: 1.6390722436542413
Energy: 1.0190904541812262
Energy: 1.639072243653882
Energy: 1.0190904541812262
Energy: 1.6390722436542413
Energy: 1.0190904541820165
Energy: 1.0746602323764445
Energy: 1.0825971247119979
Energy: 1.0746602323756544
Energy: 1.0825971247170982
Energy: 1.0746602323768755
Energy: 1.0825971247119979
Energy: 1.1262914606239511
Energy: 1.1094238524768836
Energy: 1.1262914606235919
Energy: 1.1094238524768836
Energy: 1.1262914606228016
Energy: 1.1094238524745128
Energy: 1.1171447810510635
Energy: 1.04800938824405
Energy: 1.1171447810534343
Energy: 1.0480093882429007
Energy: 1.117144781052213
Energy: 1.0480093882429007
Energy: 1.0604774375217625
Energy: 1.3840712288691888
Energy: 1.0604774375209722
Energy: 1.3840712288688297
Energy: 1.060477437523702
Energy: 1.3840712288672492
Energy: 1.345867233338535
Energy: 1.0346462677670736
Energy: 1.3458672333460784
Energy: 1.0346462677651338
Energy: 1.3458672333401156
Energy: 1.0346462677639126
Energy: 1.0163282913294558
Energy: 1.0787349058748519
Energy: 1.0163282913294558
Energy: 1.0787349058736309
Energy: 1.0163282913294558
Energy: 1.0787349058728406
Energy: 1.609139226496605
Energy: 1.3913010313360132
Energy: 1.6091392264942341
Energy: 1.3913010313336425
Energy: 1.6091392264930848
Energy: 1.391301031334864
Energy: 1.3357746989298616
Energy: 1.0973335874985308
Energy: 1.3357746989295023
Energy: 1.0973335874985308
Energy: 1.3357746989310828
Energy: 1.0973335874981718
Energy: 1.032783242746445
Energy: 1.1347843556857518
Energy: 1.032783242746014
Energy: 1.1347843556849615
Energy: 1.0327832427472354
Energy: 1.1347843556853927
Energy: 0.9893074339674391
Energy: 1.17503385707514
Energy: 0.98930743396708
Energy: 1.1750338570763612
Energy: 0.989307433966649
Energy: 1.1750338570763612
Energy: 1.5401222857453383
Energy: 1.323642547611495
Energy: 1.540122285744548
Energy: 1.3236425476107048
Energy: 1.540122285744907
Energy: 1.3236425476107048
Energy: 1.0233211453874334
Energy: 1.0725656349577177
Energy: 1.0233211453862123
Energy: 1.0725656349557062
Energy: 1.0233211453866433
Energy: 1.0725656349596573
Energy: 1.0191381218076323
Energy: 1.0388231986058856
Energy: 1.0191381218171152
Energy: 1.038823198604305
Energy: 1.0191381218139541
Energy: 1.0388231986058856
Energy: 1.0553815381654599
Energy: 1.379043387601649
Energy: 1.0553815381662501
Energy: 1.3790433876028703
Energy: 1.0553815381666092
Energy: 1.3790433876028703
Energy: 1.1700355239794562
Energy: 1.0477570972124801
Energy: 1.170035523978666
Energy: 1.0477570972116899
Energy: 1.1700355239790252
Energy: 1.0477570972104686
Energy: 1.1217934081795067
Energy: 1.0237496969927147
Energy: 1.1217934081751246
Energy: 1.0237496969939361
Energy: 1.1217934081751246
Energy: 1.023749696993505
Energy: 1.0762051808291826
Energy: 1.3408053615071527
Energy: 1.0762051808291826
Energy: 1.3408053615047821
Energy: 1.0762051808299729
Energy: 1.3408053615071527
Energy: 1.031328437898713
Energy: 1.4495745066792056
Energy: 1.0313284378990721
Energy: 1.4495745066784154
Energy: 1.031328437898713
Energy: 1.4495745066779844
Energy: 1.0727292841430114
Energy: 1.0162041192720912
Energy: 1.072729284142652
Energy: 1.0162041192733127
Energy: 1.0727292841422211
Energy: 1.0162041192733127
Energy: 1.0233599170508025
Energy: 1.6378583938791194
Energy: 1.0233599170476417
Energy: 1.6378583938791194
Energy: 1.023359917052383
Energy: 1.6378583938791194
Energy: 1.3356565361058974
Energy: 1.0696274442729719
Energy: 1.3356565361039578
Energy: 1.0696274442729719
Energy: 1.3356565361055381
Energy: 1.0696274442733311
Energy: 1.1064488916090425
Energy: 1.1208174542714309
Energy: 1.1064488916086117
Energy: 1.120817454271862
Energy: 1.106448891610192
Energy: 1.1208174542710718
Energy: 1.1063222915801256
Energy: 1.120870951656132
Energy: 1.1063222915797664
Energy: 1.120870951656132
Energy: 1.1063222915809159
Energy: 1.120870951656132
Energy: 1.3356329695608575
Energy: 1.0696841418872274
Energy: 1.3356329695620788
Energy: 1.0696841418907477
Energy: 1.3356329695561882
Energy: 1.069684141892328
Energy: 1.0235817224331314
Energy: 1.6378836327467572
Energy: 1.0235817224350712
Energy: 1.6378836327471884
Energy: 1.023581722434712
Energy: 1.6378836327475477
Energy: 1.072636396603543
Energy: 1.0161614059417134
Energy: 1.0726363966046923
Energy: 1.0161614059389115
Energy: 1.072636396604333
Energy: 1.0161614059412822
Energy: 1.0313208691523232
Energy: 1.4493573316669575
Energy: 1.0313208691518925
Energy: 1.4493573316665262
Energy: 1.0313208691518925
Energy: 1.449357331665736
Energy: 1.076248058018862
Energy: 1.340745874886301
Energy: 1.076248058015701
Energy: 1.3407458748882406
Energy: 1.0762480580196523
Energy: 1.340745874890252
Energy: 1.1214796600394843
Energy: 1.023767742126672
Energy: 1.1214796600465962
Energy: 1.023767742126672
Energy: 1.1214796600375447
Energy: 1.0237677421258817
Energy: 1.1700217003775957
Energy: 1.0476759836646479
Energy: 1.1700217003756561
Energy: 1.047675983664217
Energy: 1.1700217003760154
Energy: 1.0476759836638578
Energy: 1.0553504000948764
Energy: 1.3789643115406054
Energy: 1.0553504000948764
Energy: 1.378964311541755
Energy: 1.0553504000944454
Energy: 1.3789643115401746
Energy: 1.0187835328668078
Energy: 1.0388928551761358
Energy: 1.0187835271713601
Energy: 1.038892855176926
Energy: 1.0187835270138175
Energy: 1.0388928551772851
Energy: 1.0232490825285045
Energy: 1.0728028068109354
Energy: 1.0232490825269243
Energy: 1.0728028068074151
Energy: 1.0232490825285045
Energy: 1.072802806816898
Energy: 1.5402722074847213
Energy: 1.3235868627284848
Energy: 1.5402722074867325
Energy: 1.3235868627281255
Energy: 1.5402722074883133
Energy: 1.3235868627276945
Energy: 0.9895418678009662
Energy: 1.1749336497745553
Energy: 0.9895418677998169
Energy: 1.1749336497769258
Energy: 0.9895418678009662
Energy: 1.174933649774986

minimum gb energy = 0.989307433966649 eV
minimum distance =  2.28690907486954 Angstroms
sigma value = 67


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

Energy: 1.1894446143460335
Energy: 1.089035774306716
Energy: 1.1894446143460335
Energy: 1.0890357743040753
Energy: 1.1894446143460335
Energy: 1.089035774306716
Energy: 1.1643580239616074
Energy: 1.0518733211122495
Energy: 1.1643580239616074
Energy: 1.0518733211122495
Energy: 1.1643580239616074
Energy: 1.051873321109609
Energy: 1.14765985582527
Energy: 1.316668796616661
Energy: 1.1476598558226292
Energy: 1.316668796616661
Energy: 1.14765985582527
Energy: 1.316668796616661
Energy: 1.1643437967165824
Energy: 1.0518721228303274
Energy: 1.1643437967165824
Energy: 1.0518721228303274
Energy: 1.1643437967165824
Energy: 1.0518721228303274
Energy: 1.1894446143460335
Energy: 1.089035774306716
Energy: 1.1894446143460335
Energy: 1.0890357743040753
Energy: 1.1894446143460335
Energy: 1.089035774306716
Energy: 1.1643580239616074
Energy: 1.051873321109609
Energy: 1.1643580239616074
Energy: 1.0518733211122495
Energy: 1.1643580239616074
Energy: 1.0518733211122495
Energy: 1.0441492947470388
Energy: 1.316668796616661
Energy: 1.0441492947443982
Energy: 1.316668796616661
Energy: 1.0441492947470388
Energy: 1.316668796616661

minimum gb energy = 1.0441492947443982 eV
minimum distance =  2.29314561909006 Angstroms
sigma value = 3


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

Energy: 1.4477908586202322
Energy: 1.301759275937316
Energy: 1.3999410908250263
Energy: 1.301759275937316
Energy: 1.4477908586202322
Energy: 1.301759275937316
Energy: 1.3286187231929942
Energy: 1.2428036058547152
Energy: 1.3286187231929942
Energy: 1.2428036058547152
Energy: 1.3286187231929942
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Energy: 1.2694131711894492
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Energy: 1.3358498789937419
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Energy: 1.3270032232476945
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Energy: 1.3172750054874942
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Energy: 1.3532853808264993
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Energy: 1.2436588515604985
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Energy: 1.2933906847284797
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Energy: 1.3715015355205704
Energy: 1.2933906847284797
Energy: 1.4403042187566455
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Energy: 1.3479190208488578
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Energy: 1.3870647870616057
Energy: 1.344248442776817
Energy: 1.387064787058012
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Energy: 1.3054837339842087
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Energy: 1.3064452618516371
Energy: 1.3054837339842087
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Energy: 1.4008038610618805
Energy: 1.325759433805498
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Energy: 1.4008038610654738
Energy: 1.325759433805498
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Energy: 1.2608554080493242
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Energy: 1.2608544312625867
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Energy: 1.2696989785875286
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Energy: 1.2696989785875286
Energy: 1.238132878189341
Energy: 1.364150496180522
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Energy: 1.3641504961769284
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Energy: 1.364150496180522
Energy: 1.3875850017269942
Energy: 1.3256927611847833
Energy: 1.3875850388168989
Energy: 1.3256927611883769
Energy: 1.38758500239865
Energy: 1.3256927611847833
Energy: 1.2710203865066907
Energy: 1.2818651431917858
Energy: 1.2710242249659898
Energy: 1.2818652552049596
Energy: 1.2710203865066907
Energy: 1.2818649829789452
Energy: 1.4536053986579118
Energy: 1.2525543060918116
Energy: 1.4536053986579118
Energy: 1.2525543060918116
Energy: 1.4536053986579118
Energy: 1.2525543060918116
Energy: 1.2795412682300804
Energy: 1.5602454944659092
Energy: 1.279541268233674
Energy: 1.5602454944659092
Energy: 1.2795412682300804
Energy: 1.5602454944659092
Energy: 1.3713145882529019
Energy: 1.2428643257052967
Energy: 1.3713145882564954
Energy: 1.2428643257052967
Energy: 1.3713145882564954
Energy: 1.2428643257052967
Energy: 1.324834584968645
Energy: 1.3064144566896068
Energy: 1.3248345849650514
Energy: 1.3064144566896068
Energy: 1.3248345849650514
Energy: 1.3064144566896068
Energy: 1.4134802846631793
Energy: 1.243987807072923
Energy: 1.4134802846667727
Energy: 1.243987807072923
Energy: 1.4134802846667727
Energy: 1.243987807072923
Energy: 1.3606496956036276
Energy: 1.4080896390292221
Energy: 1.3606491898721638
Energy: 1.4080896390256288
Energy: 1.3606496956036276
Energy: 1.4080896390256288
Energy: 1.3205726935684825
Energy: 1.2873738886254211
Energy: 1.3205726935648892
Energy: 1.287373888632608
Energy: 1.3205726935648892
Energy: 1.2873738886254211
Energy: 1.2710357638385115
Energy: 1.3512405072447378
Energy: 1.2710357638385115
Energy: 1.3512405072447378
Energy: 1.2710357638385115
Energy: 1.3512405072447378
Energy: 1.3348379941522617
Energy: 1.335631130447339
Energy: 1.3348379941522617
Energy: 1.3356311304509323
Energy: 1.3348379941522617
Energy: 1.335631130447339
Energy: 1.3214214028470064
Energy: 1.3242492059774944
Energy: 1.3214970132559523
Energy: 1.3242492059774944
Energy: 1.3214214028505997
Energy: 1.3242492059774944

minimum gb energy = 1.2056966498747463 eV
minimum distance =  2.23971316510895 Angstroms
sigma value = 81


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

Energy: 1.3799052748932747
Energy: 1.2797618385038723
Energy: 1.3799052748927816
Energy: 1.2797618385033789
Energy: 1.3799052748922884
Energy: 1.2797618385033789
Energy: 1.276590570392293
Energy: 1.37232352010249
Energy: 1.2765905703913067
Energy: 1.3723235201029829
Energy: 1.2765905703913067
Energy: 1.37232352010249
Energy: 1.4306335664220582
Energy: 1.4138854500605342
Energy: 1.4306335664215648
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Energy: 1.4306335664215648
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Energy: 1.2914573927761337
Energy: 1.3109869379372707
Energy: 1.2914573927766269
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Energy: 1.2914573927756405
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Energy: 1.332270054616053
Energy: 1.247501134638558
Energy: 1.33227005461556
Energy: 1.247501134638558
Energy: 1.332270054616053
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Energy: 1.2212978777309476
Energy: 1.1861937678257681
Energy: 1.221297877729961
Energy: 1.1861937678252747
Energy: 1.2212978777339067
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Energy: 1.2321441638833919
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Energy: 1.2973290719351451
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Energy: 1.2973290719351451
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Energy: 1.2973290719356385
Energy: 1.3342939925698987
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Energy: 1.3827925408068025
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Energy: 1.3488077829752523
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Energy: 1.3651245244992056
Energy: 1.2046444868949486
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Energy: 1.2046444868939623
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Energy: 1.3016453397772845
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Energy: 1.3016453397782708
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Energy: 1.3016453397782708
Energy: 1.2478474780315627
Energy: 1.3298652304320884
Energy: 1.1862250462196646
Energy: 1.3298652304345544
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Energy: 1.3298652304330747
Energy: 1.1862250462167052
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Energy: 1.1885114879088206
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Energy: 1.416516560733503
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Energy: 1.3877905158439885
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Energy: 1.4384161053536346
Energy: 1.3111483144869924
Energy: 1.438416105347223
Energy: 1.311148314490938
Energy: 1.4384161053551143
Energy: 1.3364656259609948
Energy: 1.3338933441239123
Energy: 1.3364656259629675
Energy: 1.3338933441239123
Energy: 1.3364656259605014
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Energy: 1.2899148095773045
Energy: 1.213377870833167
Energy: 1.2899148095797706
Energy: 1.2133778708326737
Energy: 1.2899148095777977
Energy: 1.2133778708321807
Energy: 1.2580383334287788
Energy: 1.1506478072853747
Energy: 1.258038333426313
Energy: 1.1506478072868542
Energy: 1.2580383334272993
Energy: 1.1506478072848816
Energy: 1.275629960428774
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Energy: 1.2756299604277876
Energy: 1.339487367303991
Energy: 1.3507494876710755
Energy: 1.4015300329793465
Energy: 1.3507494876715689
Energy: 1.4015300329837856
Energy: 1.350749487669596
Energy: 1.4015300329823057
Energy: 1.3648935285520758
Energy: 1.5362891995209986
Energy: 1.3648935285501032
Energy: 1.5362891995209986
Energy: 1.3648935285515826
Energy: 1.5362891995209986
Energy: 1.188333757256752
Energy: 1.2949646691982457
Energy: 1.188333757257245
Energy: 1.2949646691977523
Energy: 1.1883337572602042
Energy: 1.2949646691982457
Energy: 1.2323548249738658
Energy: 1.1865610973027172
Energy: 1.2323548249763319
Energy: 1.1865610973007445
Energy: 1.2323548249763319
Energy: 1.1865610973056764
Energy: 1.331833979278605
Energy: 1.298966314688607
Energy: 1.3318339792761391
Energy: 1.2989663146881136
Energy: 1.3318339792746594
Energy: 1.2989663146881136
Energy: 1.4144745039995077
Energy: 1.1924167247680177
Energy: 1.4144745039995077
Energy: 1.1924167247690043
Energy: 1.4144745039995077
Energy: 1.1924167247680177
Energy: 1.3101228099860298
Energy: 1.3658146571009637
Energy: 1.3101228099904687
Energy: 1.3658146571009637
Energy: 1.3101228099889892
Energy: 1.3658146571009637
Energy: 1.2483268407795272
Energy: 1.3388898567085492
Energy: 1.2483268407790338
Energy: 1.3388898567085492
Energy: 1.2483268407795272
Energy: 1.3388898567080558
Energy: 1.1868903105230886
Energy: 1.2759173339600482
Energy: 1.1868903105230886
Energy: 1.188960790636295
Energy: 1.186890310524568
Energy: 1.188894591221756
Energy: 1.3673064829449502
Energy: 1.2668728480534217
Energy: 1.3673064829459367
Energy: 1.2668728480539146
Energy: 1.3673064829454435
Energy: 1.266872848054408
Energy: 1.2379994594317503
Energy: 1.6774102605206467
Energy: 1.2379994594327366
Energy: 1.6774102605196604
Energy: 1.2379994594381618
Energy: 1.6774102605176877
Energy: 1.4411164179869143
Energy: 1.3103078967868775
Energy: 1.4411164179888871
Energy: 1.3103078967883572
Energy: 1.4411164179888871
Energy: 1.310307896785891
Energy: 1.3332408485368623
Energy: 1.283482838118675
Energy: 1.3332408485417941
Energy: 1.2834828381196612
Energy: 1.3332408485378486
Energy: 1.2834828381196612
Energy: 1.210888483825944
Energy: 1.1918899898314876
Energy: 1.2108884838264373
Energy: 1.191889989832474
Energy: 1.210888483825944
Energy: 1.1918899898314876

minimum gb energy = 1.1506478072848816 eV
minimum distance =  2.30378345514797 Angstroms
sigma value = 43


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

Energy: 1.5016893770082045
Energy: 1.2836160978112177
Energy: 1.5016893770082045
Energy: 1.2836160978112177
Energy: 1.5016893770082045
Energy: 1.2836160978112177
Energy: 1.3298387336791413
Energy: 1.2034080289238158
Energy: 1.3298387336791413
Energy: 1.2034080289238158
Energy: 1.3298387336791413
Energy: 1.2034080289238158
Energy: 1.3964250493968462
Energy: 1.4262123990607625
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Energy: 1.4262123990607625
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Energy: 1.2375182141537633
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Energy: 1.3049186197367355
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Energy: 1.3049186197373415
Energy: 1.2866889803306587
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Energy: 1.2866889803342936
Energy: 1.258369294839004
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Energy: 1.300553481256646
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Energy: 1.3391755929800961
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Energy: 1.2503741185862443
Energy: 1.3477699838233652
Energy: 1.2503741185880617
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Energy: 1.3477699838227597
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Energy: 1.1830280629352923
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Energy: 1.401405405860242
Energy: 1.1830280629340804
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Energy: 1.3175975732318495
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Energy: 1.3175975732288205
Energy: 1.229360206507122
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Energy: 1.370547192134225
Energy: 1.2720719471572768
Energy: 1.370547192134225
Energy: 1.2720719471566708
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Energy: 1.2501749789562102
Energy: 1.33106543425473
Energy: 1.2501749789543928
Energy: 1.3310654318507382
Energy: 1.2501749789556045
Energy: 1.3310654201994978
Energy: 1.3514378306938293
Energy: 1.3006337441270783
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Energy: 1.3006337441264726
Energy: 1.351437826195277
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Energy: 1.4409237241252097
Energy: 1.1753574038893841
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Energy: 1.1753574038905958
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Energy: 1.2730952320511861
Energy: 1.2934298954769101
Energy: 1.2730952320517919
Energy: 1.2934298954769101
Energy: 1.2730952320517919
Energy: 1.2934298954763044
Energy: 1.2618944814742492
Energy: 1.3334587105228743
Energy: 1.2618944814736432
Energy: 1.3334587105234803
Energy: 1.2618944814742492
Energy: 1.3334587105228743
Energy: 1.3657620837229671
Energy: 1.2032182127851316
Energy: 1.3657620837217557
Energy: 1.2032182127857376
Energy: 1.3657620837223614
Energy: 1.2032182127845257
Energy: 1.458456835851346
Energy: 1.2751252475323633
Energy: 1.458456835851346
Energy: 1.2751252475323633
Energy: 1.4584568358519516
Energy: 1.275125247532969
Energy: 1.3357455879934899
Energy: 1.2422428555361817
Energy: 1.3357455879922782
Energy: 1.2422428555361817
Energy: 1.3357455879928841
Energy: 1.2422428555361817
Energy: 1.3655657220952722
Energy: 1.313863959376208
Energy: 1.3655657220952722
Energy: 1.313863959376208
Energy: 1.3655657220958781
Energy: 1.3138639593756023
Energy: 1.2618251345209104
Energy: 1.272569741134509
Energy: 1.2618251345215161
Energy: 1.2725697411332972
Energy: 1.2618251345215161
Energy: 1.2725697411339032
Energy: 1.36978197955421
Energy: 1.2991785396475604
Energy: 1.369781979554816
Energy: 1.2991785396475604
Energy: 1.369781979554816
Energy: 1.2991785396469548
Energy: 1.1753248896838526
Energy: 1.3551099435552796
Energy: 1.1753248896832469
Energy: 1.3551099435558855
Energy: 1.1753248896832469
Energy: 1.3551099435552796
Energy: 1.35512315339063
Energy: 1.3005691782603312
Energy: 1.355123153391236
Energy: 1.3005691782591196
Energy: 1.3551231533900243
Energy: 1.300569178260937
Energy: 1.2504052888062254
Energy: 1.2554857488476583
Energy: 1.250405288806831
Energy: 1.2554857488476583
Energy: 1.2504052888056194
Energy: 1.2554857488476583
Energy: 1.3697905031937117
Energy: 1.286149702911942
Energy: 1.3697905031937117
Energy: 1.286149702911942
Energy: 1.3697905031937117
Energy: 1.2861497029113362
Energy: 1.2795074330400447
Energy: 1.3311402972050563
Energy: 1.2795074330382272
Energy: 1.331140297205662
Energy: 1.2795074330406504
Energy: 1.3311402972050563
Energy: 1.4011211630088591
Energy: 1.2830399461329418
Energy: 1.4011211630094649
Energy: 1.2830399461335478
Energy: 1.4011211630076474
Energy: 1.2830399461329418
Energy: 1.2505080503779582
Energy: 1.3416481582317996
Energy: 1.2505080503773525
Energy: 1.341648158233011
Energy: 1.2505080503761408
Energy: 1.3416481582324051
Energy: 1.3161563119608348
Energy: 1.337594222025672
Energy: 1.3161563119608348
Energy: 1.3375942220250663
Energy: 1.3161563119608348
Energy: 1.337594222025672
Energy: 1.2401851322188555
Energy: 1.300533085826359
Energy: 1.2401851321419453
Energy: 1.3005330858269648
Energy: 1.2401851318591697
Energy: 1.3005330858269648

minimum gb energy = 1.1753248896832469 eV
minimum distance =  2.26130248065304 Angstroms
sigma value = 57


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

Energy: 1.326823219364198
Energy: 1.1751974102288179
Energy: 1.3268232193634135
Energy: 1.1751974102288179
Energy: 1.326823219364198
Energy: 1.1751974102296023
Energy: 1.2424546838456019
Energy: 1.1199012220360705
Energy: 1.2424546838456019
Energy: 1.1199012220360705
Energy: 1.2424546838456019
Energy: 1.1199012220360705
Energy: 1.2896279183829593
Energy: 1.3846035637502618
Energy: 1.2896279183790373
Energy: 1.3846035637494771
Energy: 1.2896279183829593
Energy: 1.3846035637502618
Energy: 1.2260502587088316
Energy: 1.2897744698025837
Energy: 1.2260502587127535
Energy: 1.2897744698017992
Energy: 1.2260502587104003
Energy: 1.2897744697994462
Energy: 1.246456017337503
Energy: 1.2915541953095662
Energy: 1.2464560173359345
Energy: 1.2915541953134524
Energy: 1.2464560173382875
Energy: 1.2915541953118836
Energy: 1.2897526593902113
Energy: 1.2455534514762787
Energy: 1.289752659385505
Energy: 1.2455534514762787
Energy: 1.2897526593847208
Energy: 1.2455534514762787
Energy: 1.2845328517778893
Energy: 1.2533351260799281
Energy: 1.2845328517778893
Energy: 1.2533351260830659
Energy: 1.2845328517778893
Energy: 1.2533351260862031
Energy: 1.328148350066008
Energy: 1.1766105880960513
Energy: 1.3281483500644393
Energy: 1.1766105880960513
Energy: 1.328148350066008
Energy: 1.1766105880991893
Energy: 1.2571521127634888
Energy: 1.1194665175623921
Energy: 1.257152112764273
Energy: 1.1194665175623921
Energy: 1.257152112764273
Energy: 1.1194665175631766
Energy: 1.1238788141726797
Energy: 1.2455121199326933
Energy: 1.1238788141726797
Energy: 1.2455121199326933
Energy: 1.1238788141726797
Energy: 1.2455121199319086
Energy: 1.2840774735508502
Energy: 1.2926658308283123
Energy: 1.284077473551635
Energy: 1.2926658308283123
Energy: 1.2840774735508502
Energy: 1.2926658308290966
Energy: 1.2796430752801173
Energy: 1.3413962303001068
Energy: 1.2796430752801173
Energy: 1.3413962303016755
Energy: 1.2796430752801173
Energy: 1.3413962303001068
Energy: 1.2671437779804797
Energy: 1.1196268771410434
Energy: 1.267143777982833
Energy: 1.1196268771410434
Energy: 1.2671437779812642
Energy: 1.1196268771418278
Energy: 1.4071659630322444
Energy: 1.1282904581371962
Energy: 1.4071659630306754
Energy: 1.1282904581364115
Energy: 1.4071659630338131
Energy: 1.1282904581364115
Energy: 1.2710627861485744
Energy: 1.125963234815116
Energy: 1.271062786149359
Energy: 1.1259632348143316
Energy: 1.2710627861485744
Energy: 1.1259632348159
Energy: 1.2582487508226081
Energy: 1.2192743995543107
Energy: 1.2582487508226081
Energy: 1.2192743995543107
Energy: 1.2582487508226081
Energy: 1.2192743995535262
Energy: 1.1231509239149111
Energy: 1.2428697001304938
Energy: 1.1231509239149111
Energy: 1.2428697001304938
Energy: 1.1231509239149111
Energy: 1.2428697001304938
Energy: 1.2824616731751295
Energy: 1.2712299318802156
Energy: 1.2824616731751295
Energy: 1.2712299318794311
Energy: 1.2824616731751295
Energy: 1.2712299318802156
Energy: 1.123186598625548
Energy: 1.2429034692126804
Energy: 1.1231865986247638
Energy: 1.2429034692126804
Energy: 1.1231865986247638
Energy: 1.2429034692118959
Energy: 1.2580794024351338
Energy: 1.2192851991157507
Energy: 1.2580794024351338
Energy: 1.219285199116535
Energy: 1.2580794024351338
Energy: 1.219285199116535
Energy: 1.2709590434795466
Energy: 1.1259579241243955
Energy: 1.2709590434795466
Energy: 1.1259579241243955
Energy: 1.2709590434795466
Energy: 1.1259579241267128
Energy: 1.407174276249804
Energy: 1.1788575780375838
Energy: 1.407174276249804
Energy: 1.1788575780375838
Energy: 1.407174276248271
Energy: 1.178857578038368
Energy: 1.2670275495689332
Energy: 1.1194680108908441
Energy: 1.2670275495689332
Energy: 1.1194680108916286
Energy: 1.2670275495681842
Energy: 1.1194680108916286
Energy: 1.279675247748314
Energy: 1.3414014931930878
Energy: 1.2796752477475295
Energy: 1.341401493193872
Energy: 1.2796752477459605
Energy: 1.3414014931946565

minimum gb energy = 1.1194665175623921 eV
minimum distance =  2.25034771926114 Angstroms
sigma value = 17


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

Energy: 1.2337921115298813
Energy: 1.1005968258071157
Energy: 1.2337921115287718
Energy: 1.1005968258071157
Energy: 1.2337921115298813
Energy: 1.1005968258071157
Energy: 1.0596509506600786
Energy: 1.0476100278267335
Energy: 1.0596509506600786
Energy: 1.0476100278256242
Energy: 1.0596509506600786
Energy: 1.0476100278256242
Energy: 1.2084549325661882
Energy: 1.2397270390479465
Energy: 1.2084549325650789
Energy: 1.2397270390479465
Energy: 1.208454932568407
Energy: 1.2397270390479465
Energy: 0.9947989054398364
Energy: 1.2404400943024962
Energy: 0.9947989054398364
Energy: 1.2404400943024962
Energy: 0.9947989054398364
Energy: 1.2404400943002778
Energy: 1.224279872823347
Energy: 1.162443619300062
Energy: 1.2242798728255657
Energy: 1.162443619300062
Energy: 1.2242798728244564
Energy: 1.162443619300062
Energy: 1.123291486310588
Energy: 1.197333926506064
Energy: 1.1232914863094785
Energy: 1.1973339265049547
Energy: 1.1232914863094785
Energy: 1.197333926506064
Energy: 1.1453094282716338
Energy: 1.0594431734210294
Energy: 1.1453094282738525
Energy: 1.0594431734221388
Energy: 1.1453094282727432
Energy: 1.0594431734232481
Energy: 0.9948848968077302
Energy: 1.237034597629266
Energy: 0.9948848968077302
Energy: 1.2370340168009986
Energy: 0.9948848968077302
Energy: 1.237032658552786
Energy: 1.2060187038349555
Energy: 1.047680748856486
Energy: 1.2060187038349555
Energy: 1.047680748855377
Energy: 1.2060187038349555
Energy: 1.047680748855377
Energy: 1.1289165899475557
Energy: 1.0621825364728905
Energy: 1.1289165899464462
Energy: 1.0621825364728905
Energy: 1.1289165899475557
Energy: 1.0621825364717814
Energy: 1.11136059337301
Energy: 1.1094721158452707
Energy: 1.11136059337301
Energy: 1.1094721158452707
Energy: 1.11136059337301
Energy: 1.1094721158452707
Energy: 1.1948873134474567
Energy: 1.1714420787135438
Energy: 1.1948873133476703
Energy: 1.1714420787124344
Energy: 1.1948873130039381
Energy: 1.1714420787135438
Energy: 0.9954509622273275
Energy: 1.1957237413208837
Energy: 0.9954509622284369
Energy: 1.1957237413208837
Energy: 0.9954509622284369
Energy: 1.1957237413208837
Energy: 1.1280185205292697
Energy: 1.2095206687405333
Energy: 1.1280185205281603
Energy: 1.2095206687405333
Energy: 1.1280185205281603
Energy: 1.2095206687405333
Energy: 1.1213999140509499
Energy: 1.173668606363681
Energy: 1.1213999140520592
Energy: 1.173668606363681
Energy: 1.1213999140509499
Energy: 1.1736686063625716
Energy: 1.1214744124640073
Energy: 1.1963009615398452
Energy: 1.1214744124640073
Energy: 1.1963009615398452
Energy: 1.121474412462898
Energy: 1.1963009615398452
Energy: 1.1265690106875432
Energy: 1.2074378150579848
Energy: 1.1265690106875432
Energy: 1.2074378150579848
Energy: 1.1265690106875432
Energy: 1.2074378150579848

minimum gb energy = 0.9947989054398364 eV
minimum distance =  2.29669183408755 Angstroms
sigma value = 17


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

Energy: 1.1116223129048137
Energy: 0.9958438682985989
Energy: 1.1116223129052423
Energy: 0.9958438682990275
Energy: 1.1116223129052423
Energy: 0.9958438682981707
Energy: 1.030180810242972
Energy: 0.9653299391091724
Energy: 1.0301808102434002
Energy: 0.9653299391061739
Energy: 1.0301808102421153
Energy: 0.9653299390997484
Energy: 1.0669473196193582
Energy: 1.0741679908900883
Energy: 1.0669473196206432
Energy: 1.0741679908900883
Energy: 1.0669473196223567
Energy: 1.0741679908905166
Energy: 1.0343434611213802
Energy: 1.0959519800536242
Energy: 1.0343434611205236
Energy: 1.0959519800561945
Energy: 1.0343434611196667
Energy: 1.0959519800536242
Energy: 1.0051106460851504
Energy: 0.9572692554272656
Energy: 1.0051106460851504
Energy: 0.9572692554268372
Energy: 1.0051106460838652
Energy: 0.9572692554272656
Energy: 1.0685621839205042
Energy: 1.0090685954713263
Energy: 1.0685621839205042
Energy: 1.0090685954717544
Energy: 1.0685621839205042
Energy: 1.0090685954708978
Energy: 1.010851257696345
Energy: 1.0035750023490557
Energy: 1.0108512576946316
Energy: 1.0035750023494843
Energy: 1.0108512576967732
Energy: 1.0035750023494843
Energy: 1.114292146962912
Energy: 1.114770262208862
Energy: 1.114292146962055
Energy: 1.1147702622075768
Energy: 1.1142921469633402
Energy: 1.1147702622067202
Energy: 1.0450464459929683
Energy: 1.0624661926848369
Energy: 1.04504644599254
Energy: 1.0624661926848369
Energy: 1.0450464459933966
Energy: 1.0624661926844083
Energy: 1.009850553947005
Energy: 0.913802573463302
Energy: 1.0098505539478617
Energy: 0.9138025734641586
Energy: 1.0098505539478617
Energy: 0.913802573463302
Energy: 0.9283645816970051
Energy: 0.9736141552954215
Energy: 0.9283645816970051
Energy: 0.9753181587064841
Energy: 0.9283645816978618
Energy: 0.973910579618696
Energy: 1.0922824082130456
Energy: 0.9800994255046
Energy: 1.0922824061762129
Energy: 0.9800994255054566
Energy: 1.092282400361915
Energy: 0.9800994255054566
Energy: 1.0124019775438204
Energy: 0.9837789966003385
Energy: 1.0124019775451054
Energy: 0.9837789965981967
Energy: 1.012401977544677
Energy: 0.9837789965990533
Energy: 1.0261409369853784
Energy: 0.9981903663628496
Energy: 1.0261409369840933
Energy: 0.9981903663598509
Energy: 1.0261409369849503
Energy: 0.9981903663615646
Energy: 1.0938044579350725
Energy: 1.0848652256506366
Energy: 1.0938044579363577
Energy: 1.0848652256506366
Energy: 1.0938044579397845
Energy: 1.0848652256510651
Energy: 0.9284527400551801
Energy: 1.0447277956658347
Energy: 0.9284527400560368
Energy: 1.0447277956654064
Energy: 0.9284527400556084
Energy: 1.044727795664978
Energy: 1.024436733762685
Energy: 1.0622082021783115
Energy: 1.0244367337635416
Energy: 1.0622082021791683
Energy: 1.0244367337631135
Energy: 1.0622082021787398
Energy: 1.0751507460950622
Energy: 1.0581111153618765
Energy: 1.0751507460942056
Energy: 1.0581111153631615
Energy: 1.0751507460954908
Energy: 1.0581111153623046
Energy: 1.0200673420627306
Energy: 1.0433715905115672
Energy: 1.0200673420631592
Energy: 1.0433715905102823
Energy: 1.0200673420631592
Energy: 1.0433715905115672
Energy: 1.0231196331479548
Energy: 1.0144219799744836
Energy: 1.0231196331475263
Energy: 1.014421979974912
Energy: 1.0231196331479548
Energy: 1.0144219799744836
Energy: 1.0202249478226433
Energy: 1.0437156281151383
Energy: 1.0202249478230716
Energy: 1.0437156281172804
Energy: 1.0202249478217864
Energy: 1.0437156281189934
Energy: 1.0753925430472269
Energy: 1.0582627087416516
Energy: 1.0753925430489406
Energy: 1.05826270874208
Energy: 1.075392543048512
Energy: 1.05826270874208
Energy: 1.0243114888442082
Energy: 1.0622009819995504
Energy: 1.0243114888437799
Energy: 1.0622009819999787
Energy: 1.0243114888433513
Energy: 1.0622009819995504
Energy: 0.9284504403808623
Energy: 1.121027484810559
Energy: 0.9284504403804339
Energy: 1.121027484810559
Energy: 0.9284504403808623
Energy: 1.121027484810559
Energy: 1.0937448541067312
Energy: 1.0848893443015637
Energy: 1.0937448541028758
Energy: 1.084889344301992
Energy: 1.0937448541037327
Energy: 1.0848893443011352
Energy: 1.0261702055817656
Energy: 0.9976904967208479
Energy: 1.026170205581337
Energy: 0.9976904967204193
Energy: 1.026170205580909
Energy: 0.9976904967208479
Energy: 1.0124417729102828
Energy: 0.9837392632406168
Energy: 1.0124417729098543
Energy: 0.9837392632406168
Energy: 1.0124417729094262
Energy: 0.9837392632410452
Energy: 1.0923725832192694
Energy: 0.9802340117014727
Energy: 1.0923725812218084
Energy: 0.9802340117019012
Energy: 1.092372574906977
Energy: 0.9802340117014727
Energy: 0.9289634004514408
Energy: 0.9742827618696323
Energy: 0.9289634004514408
Energy: 0.9737458342112577
Energy: 0.9289634004505842
Energy: 0.973738517082606
Energy: 1.009960615348109
Energy: 1.0861316211736125
Energy: 1.0099606153493943
Energy: 1.0861316211748975
Energy: 1.009960615348109
Energy: 1.086131621175326
Energy: 1.044782613706331
Energy: 1.0626742051447138
Energy: 1.044782613705474
Energy: 1.0626742051447138
Energy: 1.044782613705474
Energy: 1.0626742051442852
Energy: 1.1144547115089178
Energy: 1.1142190661727
Energy: 1.1144547115089178
Energy: 1.114219066173557
Energy: 1.1144547115097745
Energy: 1.1142190661744136
Energy: 1.01066130656656
Energy: 1.0030400387095664
Energy: 1.01066130656656
Energy: 1.0030400387095664
Energy: 1.0106613065687016
Energy: 1.0030400387095664
Energy: 1.0686543071482537
Energy: 0.9807339024249238
Energy: 1.0686543071482537
Energy: 0.9807339024253521
Energy: 1.0686543071482537
Energy: 0.9807339024249238
Energy: 1.0055888019441868
Energy: 0.9573940761173958
Energy: 1.0055888019429016
Energy: 0.9573940761178242
Energy: 1.0055888019433301
Energy: 0.9573940761173958
Energy: 1.0344956402145038
Energy: 1.0627135977533966
Energy: 1.034495640215789
Energy: 1.0627135977538251
Energy: 1.0344956402166456
Energy: 1.0627135977538251
Energy: 1.0668106031614455
Energy: 1.074415345484314
Energy: 1.066810603163159
Energy: 1.0744153454838856
Energy: 1.0668106031610172
Energy: 1.0744153454838856
Energy: 1.0301269473632144
Energy: 0.9801302933774897
Energy: 1.030126947364071
Energy: 0.9801302933779182
Energy: 1.0301269473644994
Energy: 0.9801302933779182
Energy: 1.111622312906099
Energy: 0.9958438682985989
Energy: 1.111622312906099
Energy: 0.9958438682994559
Energy: 1.111622312906099
Energy: 0.9958438682981707
Energy: 1.0301808102434002
Energy: 0.9721840112567673
Energy: 1.0301808102438286
Energy: 0.972184011256339
Energy: 1.0301808102434002
Energy: 0.9721840112571958
Energy: 1.0669473196176444
Energy: 1.0741679908905166
Energy: 1.0669473196214998
Energy: 1.0741679908905166
Energy: 1.0669473196193582
Energy: 1.0741679908905166
Energy: 1.0343434611218085
Energy: 1.0959519800531958
Energy: 1.034343461120095
Energy: 1.0959519800566229
Energy: 1.03434346111881
Energy: 1.0959519800544808
Energy: 1.0051106460847221
Energy: 0.9572692554268372
Energy: 1.0051106460847221
Energy: 0.9572692554276939
Energy: 1.0051106460838652
Energy: 0.9572692554264088

minimum gb energy = 0.913802573463302 eV
minimum distance =  2.28784652486714 Angstroms
sigma value = 57


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

Energy: 1.0221749233998698
Energy: 0.9210305362285087
Energy: 1.0221749233977773
Energy: 0.9210305362278113
Energy: 1.0221749233977773
Energy: 0.9210305362278113
Energy: 0.9394219066850028
Energy: 0.9066506317813973
Energy: 0.9394219066850028
Energy: 0.9066506317813973
Energy: 0.9394219066850028
Energy: 0.9066506317813973
Energy: 1.002515920781191
Energy: 0.9939708307944018
Energy: 1.002515920771426
Energy: 0.9939708307944018
Energy: 1.0025159207804935
Energy: 0.9939708307950994
Energy: 0.9643221969254653
Energy: 1.0226086130444676
Energy: 0.9643221969254653
Energy: 1.0226086130444676
Energy: 0.9643221969254653
Energy: 1.0226086130444676
Energy: 0.921823097105396
Energy: 0.8955885221816942
Energy: 0.921823097106791
Energy: 0.8955885221816942
Energy: 0.921823097105396
Energy: 0.8955885221816942
Energy: 1.0198491602346633
Energy: 0.9047579377038808
Energy: 1.0198491602353608
Energy: 0.9047579377038808
Energy: 1.0198491602353608
Energy: 0.9047579377038808
Energy: 0.866747957706006
Energy: 0.9775363419995002
Energy: 0.8667479577053084
Energy: 0.9775363419995002
Energy: 0.8667479577067034
Energy: 0.9775363420001978
Energy: 1.040157334291846
Energy: 0.9475670191744074
Energy: 1.0401573342904509
Energy: 0.947567019175105
Energy: 1.040157334291846
Energy: 0.947567019175105
Energy: 0.9166942006134638
Energy: 0.9074267747676493
Energy: 0.9166942006134638
Energy: 0.9074267747669518
Energy: 0.9166942006134638
Energy: 0.9074267747669518
Energy: 0.9273976897595323
Energy: 0.9302806037706748
Energy: 0.9273976897602298
Energy: 0.9302806037706748
Energy: 0.9273976897630197
Energy: 0.9302806037699773
Energy: 0.8634917498617042
Energy: 1.0437821180268998
Energy: 0.8634917498686793
Energy: 1.0437821180303872
Energy: 0.8634917498644942
Energy: 1.0437821180324796
Energy: 0.9655918413856471
Energy: 0.9580801072682146
Energy: 0.9655918413856471
Energy: 0.9580801072668196
Energy: 0.9655918413856471
Energy: 0.9580801072689121
Energy: 0.9253472535847869
Energy: 1.0070722284175655
Energy: 0.9253472535854843
Energy: 1.0070722284175655
Energy: 0.9253472535854843
Energy: 1.0070722284133806
Energy: 0.9249268498119609
Energy: 0.9487758178309635
Energy: 0.9249268498133559
Energy: 0.9487758178309635
Energy: 0.9249268498119609
Energy: 0.948775817831661
Energy: 1.0378514265834362
Energy: 0.9178107981604002
Energy: 1.0378514265827388
Energy: 0.9178107981590052
Energy: 1.0378514265827388
Energy: 0.9178107981569128
Energy: 1.0222922987647314
Energy: 1.0464581178426993
Energy: 1.0222922987654288
Energy: 1.0464581178433967
Energy: 1.022292298766824
Energy: 1.0464581178426993
Energy: 0.9505498299812165
Energy: 0.9472624051309005
Energy: 0.9505498299798215
Energy: 0.947262405130203
Energy: 0.950549829977729
Energy: 0.9472624051309005
Energy: 0.9968640867353107
Energy: 1.0075650189293979
Energy: 0.9968640867394956
Energy: 1.0075650189287002
Energy: 0.9968640867360081
Energy: 1.0075650189293979
Energy: 0.8786179517048903
Energy: 0.9857675736346532
Energy: 0.8786179517062854
Energy: 0.9857675736346532
Energy: 0.8786179517062854
Energy: 0.9857675736360483
Energy: 0.8813774519834428
Energy: 1.0183026108997135
Energy: 0.8813774519827453
Energy: 1.018302610901806
Energy: 0.8813774519841403
Energy: 1.0183026109038984
Energy: 0.9902309419118143
Energy: 0.978393551966542
Energy: 0.9902309419139068
Energy: 0.9783935519672395
Energy: 0.9902309419146043
Energy: 0.9783935519672395
Energy: 0.8649230317386545
Energy: 0.9849114976211324
Energy: 0.864923031737957
Energy: 0.984911497620435
Energy: 0.8649230317386545
Energy: 0.984911497620435
Energy: 0.947607118357607
Energy: 0.9597907654174687
Energy: 0.947607118357607
Energy: 0.959790765418166
Energy: 0.947607118357607
Energy: 0.959790765418166
Energy: 0.945012305279862
Energy: 1.2213159277753083
Energy: 0.945012305281257
Energy: 1.2213159277704257
Energy: 0.9450123052791646
Energy: 1.221315927773216
Energy: 0.9463291660767577
Energy: 0.9995068489528973
Energy: 0.9463291660732701
Energy: 0.9995068489549899
Energy: 0.9463291660725727
Energy: 0.9995068489542923
Energy: 0.922386000639777
Energy: 0.9604243564382664
Energy: 0.922386000641172
Energy: 0.960424356438964
Energy: 0.9223860006404745
Energy: 0.9604243564382664
Energy: 0.8651975993122687
Energy: 0.9854514104886976
Energy: 0.8651975993129661
Energy: 0.9854514104880001
Energy: 0.8651975993136637
Energy: 0.9854514104873026

minimum gb energy = 0.8634917498617042 eV
minimum distance =  2.27055616066869 Angstroms
sigma value = 43


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

Energy: 1.010640616630658
Energy: 0.8371856587199369
Energy: 1.010640616629642
Energy: 0.8371856587199369
Energy: 1.010640616629642
Energy: 0.8371856587199369
Energy: 0.9160807207079649
Energy: 0.8465395618807523
Energy: 0.9160807207074566
Energy: 0.8465395618797361
Energy: 0.9160807207079649
Energy: 0.8465395618832934
Energy: 0.9245139948215058
Energy: 0.9165595278562835
Energy: 0.9245139948230303
Energy: 0.9165595278562835
Energy: 0.9245139948245549
Energy: 0.9165595278562835
Energy: 0.9483761366432834
Energy: 0.8874147847479695
Energy: 0.9483761366432834
Energy: 0.8874147847474615
Energy: 0.948376136642775
Energy: 0.8874147847484778
Energy: 0.8175398641826376
Energy: 0.8069428540132356
Energy: 0.8175398641841621
Energy: 0.8069428540137439
Energy: 0.8175398641841621
Energy: 0.8069428540127276
Energy: 0.8721611345368651
Energy: 0.8194384594692944
Energy: 0.8721611345358489
Energy: 0.819438459468786
Energy: 0.8721611345358489
Energy: 0.8194384594692944
Energy: 0.8275553921150522
Energy: 0.86410247088144
Energy: 0.8275553921120029
Energy: 0.8641024708824565
Energy: 0.8275553921125113
Energy: 0.8641024708819482
Energy: 1.10370436968239
Energy: 0.7952496008346176
Energy: 1.103704369682898
Energy: 0.7952496008351257
Energy: 1.1037043696818816
Energy: 0.7952496008346176
Energy: 0.8314544434062524
Energy: 0.8098729563998297
Energy: 0.8314544434067608
Energy: 0.8098729563998297
Energy: 0.8314544434067608
Energy: 0.8098729563998297
Energy: 0.8274346428665291
Energy: 0.8135518242690791
Energy: 0.8274346428660208
Energy: 0.8135518242690791
Energy: 0.8274346428660208
Energy: 0.8135518242695874
Energy: 0.9913641272132443
Energy: 0.8893054427259467
Energy: 0.9913641272117198
Energy: 0.8893054427259467
Energy: 0.9913641272147689
Energy: 0.8893054427254385
Energy: 0.7802495831530781
Energy: 0.8083862848919653
Energy: 0.7802495831515536
Energy: 0.8083862848919653
Energy: 0.7802495831520618
Energy: 0.8083862848919653
Energy: 0.8270771171754371
Energy: 0.7707899523398308
Energy: 0.8270771171749289
Energy: 0.770789952340339
Energy: 0.8270771171749289
Energy: 0.7707899523398308
Energy: 0.9154570901736306
Energy: 0.8925077349457149
Energy: 0.9154570901736306
Energy: 0.8925077349457149
Energy: 0.9154570901741387
Energy: 0.8925077349452066
Energy: 0.8120409220409228
Energy: 0.8076522704279766
Energy: 0.8120409220409228
Energy: 0.8076522704274685
Energy: 0.8120409220404146
Energy: 0.8076522704284849
Energy: 0.8533074483317705
Energy: 0.9006278097897575
Energy: 0.8533074483312623
Energy: 0.9006278097902194
Energy: 0.8533074483317705
Energy: 0.9006278097902194
Energy: 0.8292834671335819
Energy: 0.887787552624375
Energy: 0.8292834671330737
Energy: 0.887787552624375
Energy: 0.8292834671330737
Energy: 0.8877875526238667
Energy: 0.8450136734362402
Energy: 0.8081499151168895
Energy: 0.8450136734357321
Energy: 0.8081499151148567
Energy: 0.8450136734362402
Energy: 0.8081499151163812
Energy: 0.8219770410664311
Energy: 0.8842762066251565
Energy: 0.8219770410654148
Energy: 0.8842762066282057
Energy: 0.8219770410654148
Energy: 0.8842762066256648
Energy: 0.8537119509938158
Energy: 0.8138464401378043
Energy: 0.8537119509973732
Energy: 0.8138464401398371
Energy: 0.8537119509963569
Energy: 0.8138464401388208
Energy: 0.9065215694635927
Energy: 0.9433785333228705
Energy: 0.906521569464609
Energy: 0.9433785333223624
Energy: 0.9065215694635927
Energy: 0.9433785333233788
Energy: 0.9326726944678385
Energy: 0.8360984531265425
Energy: 0.9326726944678385
Energy: 0.8360984531275587
Energy: 0.9326726944683468
Energy: 0.8360984531280671
Energy: 0.8697789386187854
Energy: 0.9080653212143426
Energy: 0.8697789386203099
Energy: 0.9080653212148506
Energy: 0.8697789386213263
Energy: 0.9080653212148506
Energy: 0.8656821381546509
Energy: 0.9553036252081922
Energy: 0.8656821381449953
Energy: 0.9553036252081922
Energy: 0.865682138139405
Energy: 0.9553036252087004
Energy: 0.8659100084268788
Energy: 0.7933247891180669
Energy: 0.8659100084258624
Energy: 0.7933247891180669
Energy: 0.8659100084258624
Energy: 0.7933247891190834
Energy: 0.8662034856543066
Energy: 0.8847682499945223
Energy: 0.8662034856543066
Energy: 0.8847682499945223
Energy: 0.8662034856543066
Energy: 0.8847682499950305
Energy: 0.8867091366604949
Energy: 0.9038818522896301
Energy: 0.8867091366610033
Energy: 0.9038818522896301
Energy: 0.8867091366604949
Energy: 0.9038818522901384
Energy: 0.7372898256589128
Energy: 0.789954223788795
Energy: 0.7372898256594209
Energy: 0.7899542237898114
Energy: 0.7372898256584044
Energy: 0.7899542237893034
Energy: 0.8005144638318994
Energy: 0.8377756247342902
Energy: 0.8005144638313911
Energy: 0.8377756247342902
Energy: 0.8005144638318994
Energy: 0.8377756247347983
Energy: 0.8093443428572535
Energy: 0.8772754009564736
Energy: 0.8093443428577618
Energy: 0.8772754009554571
Energy: 0.8093443428577618
Energy: 0.8772754009554571
Energy: 0.7934239583970886
Energy: 1.1063539668229387
Energy: 0.7934239583970886
Energy: 1.1063539668229387
Energy: 0.7934239583970886
Energy: 1.1063539668224303
Energy: 0.8011644786121863
Energy: 0.800690047207919
Energy: 0.8011644786121863
Energy: 0.800690047207919
Energy: 0.8011644786126946
Energy: 0.800690047207919
Energy: 0.7783153168662628
Energy: 0.7940466020166491
Energy: 0.7783153168667709
Energy: 0.7940466020181737
Energy: 0.7783153168667709
Energy: 0.7940466020166491
Energy: 0.9205861095163013
Energy: 0.9978638937140284
Energy: 0.9205861095157931
Energy: 0.9978638937140284
Energy: 0.9205861095178259
Energy: 0.9978638937145367
Energy: 0.8025956065412162
Energy: 0.7735306845086631
Energy: 0.8025956065407082
Energy: 0.7735306845081549
Energy: 0.8025956065407082
Energy: 0.7735306845091712
Energy: 0.7229162759086085
Energy: 0.7940730496164082
Energy: 0.7229162759065758
Energy: 0.7940730496138673
Energy: 0.7229162759070841
Energy: 0.7940730496148837

minimum gb energy = 0.7229162759065758 eV
minimum distance =  2.26285744539602 Angstroms
sigma value = 81


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

Energy: 0.08775872311664938
Energy: 0.13890702243609918
Energy: 0.08775872311664938
Energy: 0.13890702243609918
Energy: 0.08775872311664938
Energy: 0.13890702243609918
Energy: 0.9114161146836041
Energy: 0.08898326677735974
Energy: 0.9114161146817369
Energy: 0.0889832667754925
Energy: 0.9114161146836041
Energy: 0.0889832667754925
Energy: 0.9114176290958478
Energy: 0.08873543572697586
Energy: 0.9114176290977151
Energy: 0.08873543572884308
Energy: 0.9114176290958478
Energy: 0.08873543573257754
Energy: 0.08775872311664938
Energy: 0.13890702243609918
Energy: 0.08775872311664938
Energy: 0.13890702243423195
Energy: 0.08775872311664938
Energy: 0.13890702243423195
Energy: 0.9114161146836041
Energy: 0.08898326676242188
Energy: 0.9114161146836041
Energy: 0.08898326676615634
Energy: 0.9114161146836041
Energy: 0.08898326676242188
Energy: 0.9114176290958478
Energy: 0.08873543572884308
Energy: 0.9114176290958478
Energy: 0.08873543573071033
Energy: 0.9114176290958478
Energy: 0.08873543572884308
Energy: 0.08775872311664938
Energy: 0.13890702243423195
Energy: 0.08775872311664938
Energy: 0.13890702243423195
Energy: 0.08775872311664938
Energy: 0.13890702243423195
Energy: 0.9114161146836041
Energy: 0.08898326675495295
Energy: 0.9114161146836041
Energy: 0.08898326675495295
Energy: 0.9114161146836041
Energy: 0.0889832667512185
Energy: 0.9114176290977151
Energy: 0.08873543572884308
Energy: 0.9114176290958478
Energy: 0.08873543572697586
Energy: 0.9114176290958478
Energy: 0.08873543572697586
Energy: 0.08775872311664938
Energy: 0.13890702243609918
Energy: 0.08775872311664938
Energy: 0.13890702243609918
Energy: 0.08775872311664938
Energy: 0.13890702243609918

minimum gb energy = 0.08775872311664938 eV
minimum distance =  2.46526947542655 Angstroms
sigma value = 3


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

Energy: 0.9681422650390433
Energy: 0.8043032855993958
Energy: 0.9681422650390433
Energy: 0.8043032855993958
Energy: 0.9681422650390433
Energy: 0.8043032855999547
Energy: 0.808667392438482
Energy: 0.8130619523272063
Energy: 0.8086673924390406
Energy: 0.8130619523272063
Energy: 0.8086673924390406
Energy: 0.8130619523238536
Energy: 0.8421507421455944
Energy: 0.8133408197457563
Energy: 0.8421507421455944
Energy: 0.8133407415101872
Energy: 0.8421507421450355
Energy: 0.8133407818849346
Energy: 0.9114579266246389
Energy: 0.824176236464842
Energy: 0.9114579266246389
Energy: 0.824176236464842
Energy: 0.9114579266246389
Energy: 0.8241762364659595
Energy: 0.6910189078747563
Energy: 0.8131983665332725
Energy: 0.6910189078747563
Energy: 0.8131983665360666
Energy: 0.6910189078741975
Energy: 0.8131983665349489
Energy: 0.8501960577919305
Energy: 0.8788198087879441
Energy: 0.8501960577924893
Energy: 0.8788198087862678
Energy: 0.8501960577936069
Energy: 0.8788198087879441
Energy: 0.8635742612566097
Energy: 0.8024097558943838
Energy: 0.8635742612571683
Energy: 0.8024097558899136
Energy: 0.8635742612582858
Energy: 0.8024097559307041
Energy: 0.6865777804863716
Energy: 0.8130918017617367
Energy: 0.6865777804869304
Energy: 0.8130918017572664
Energy: 0.6865777804863716
Energy: 0.8130918017611779
Energy: 0.8651074867300386
Energy: 0.8695358984903329
Energy: 0.8651074867300386
Energy: 0.8695358984925678
Energy: 0.8651074867305975
Energy: 0.8695358984908915
Energy: 0.7872207977414956
Energy: 0.8515744453631503
Energy: 0.7872207977470833
Energy: 0.8515744453625916
Energy: 0.7872207977465245
Energy: 0.8515744453648266
Energy: 0.7446824592615038
Energy: 0.81502244061814
Energy: 0.7446824592693265
Energy: 0.8150224406170224
Energy: 0.7446824592615038
Energy: 0.8150224406164636
Energy: 0.8935016062331191
Energy: 0.9007537083291377
Energy: 0.8935016062314427
Energy: 0.900753708328579
Energy: 0.8935016062325603
Energy: 0.9007537083313728
Energy: 0.8217458209124152
Energy: 0.8326200379701983
Energy: 0.8217458209409128
Energy: 0.8326200379701983
Energy: 0.8217458209029161
Energy: 0.8326200379701983
Energy: 0.7658302862150653
Energy: 0.8759854763010595
Energy: 0.7658302862105951
Energy: 0.8759854763010595
Energy: 0.7658302862150653
Energy: 0.8759854762999421
Energy: 0.9160688498986198
Energy: 0.868213811875165
Energy: 0.9160688498975023
Energy: 0.8682138118746062
Energy: 0.916068849898061
Energy: 0.8682138118785178
Energy: 0.7971826973748831
Energy: 0.6863291363840484
Energy: 0.7971826973754419
Energy: 0.6863291363840484
Energy: 0.7971826973754419
Energy: 0.6863291363834896
Energy: 0.8166634473147738
Energy: 0.9010853009139645
Energy: 0.8166634473153325
Energy: 0.9010853009117294
Energy: 0.8166634473153325
Energy: 0.9010853009111706
Energy: 0.8570272543011801
Energy: 0.839381280470647
Energy: 0.8570272543011801
Energy: 0.8393812804689705
Energy: 0.8570272543017389
Energy: 0.8393812804712056
Energy: 0.8575259761522658
Energy: 0.9331924778592049
Energy: 0.857525976153942
Energy: 0.9331924778592049
Energy: 0.8575259761522658
Energy: 0.9331924778592049
Energy: 0.8006392269676257
Energy: 0.9513381552710037
Energy: 0.8006392269681843
Energy: 0.9513381552704449
Energy: 0.8006392269681843
Energy: 0.9513381552693273
Energy: 0.8999756615055154
Energy: 0.8140007484432205
Energy: 0.8999756615049567
Energy: 0.8140007484415442
Energy: 0.8999756615049567
Energy: 0.8140007484409854
Energy: 0.8531371888626632
Energy: 0.8111194627825044
Energy: 0.8531414074175621
Energy: 0.8111194627819457
Energy: 0.8531422422104629
Energy: 0.8111194627825044
Energy: 0.8268427697953555
Energy: 0.928703645753488
Energy: 0.8268427697992161
Energy: 0.9287036457562818
Energy: 0.8268427697986575
Energy: 0.9287036457551643
Energy: 0.8428467426379802
Energy: 0.790421967252311
Energy: 0.8428467426390978
Energy: 0.790421967252311
Energy: 0.8428467426407741
Energy: 0.7904219672517522
Energy: 0.8917946448103409
Energy: 0.8470699425744038
Energy: 0.8917946448108995
Energy: 0.8470699425744038
Energy: 0.8917946448103409
Energy: 0.8470699425755215
Energy: 0.789326702603594
Energy: 0.8878309835250042
Energy: 0.7893267026008002
Energy: 0.8878309835266806
Energy: 0.789326702603594
Energy: 0.8878309835261217
Energy: 0.9506681154609308
Energy: 0.6965057281692175
Energy: 0.9506681154575782
Energy: 0.6965057281681
Energy: 0.9506681154609308
Energy: 0.6965057281692175
Energy: 0.8643898291271435
Energy: 0.8638189643155977
Energy: 0.8643898291260259
Energy: 0.863818964315039
Energy: 0.864389829128261
Energy: 0.8638189643167153
Energy: 0.7604706269261998
Energy: 0.8125007475754185
Energy: 0.7604706269261998
Energy: 0.8125007475798887
Energy: 0.7604706269250823
Energy: 0.8125007475737421
Energy: 0.9432377828581471
Energy: 0.7609439024700606
Energy: 0.9432377828587057
Energy: 0.7609439025007932
Energy: 0.9432377828581471
Energy: 0.7609439024750897
Energy: 0.8603276786946283
Energy: 0.8561334074524684
Energy: 0.8603276786951871
Energy: 0.8561334074519097
Energy: 0.8603276786951871
Energy: 0.8561334074530272
Energy: 0.8506240167418759
Energy: 0.8011429536158282
Energy: 0.8506240167418759
Energy: 0.8011429536107992
Energy: 0.8506240167418759
Energy: 0.8011429536158282
Energy: 0.8657449768725134
Energy: 0.9217617806037461
Energy: 0.8657449768730723
Energy: 0.9217617806037461
Energy: 0.8657449768730723
Energy: 0.9217617806037461

minimum gb energy = 0.6863291363834896 eV
minimum distance =  2.32463116992995 Angstroms
sigma value = 67


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

Energy: 1.1269215577373015
Energy: 0.9879057694627736
Energy: 1.1269215577365053
Energy: 0.9879057694635699
Energy: 1.1269215577365053
Energy: 0.9879057694635699
Energy: 0.982620058554514
Energy: 1.012250091061836
Energy: 0.982620058554514
Energy: 1.0122500910626322
Energy: 0.98262005855531
Energy: 1.012250091061836
Energy: 1.054111889186876
Energy: 0.9970669571102212
Energy: 1.0541118891876722
Energy: 0.9970669571157947
Energy: 1.0541118891876722
Energy: 0.9970669571070365
Energy: 1.076849903806356
Energy: 0.9754130286417683
Energy: 1.0768499038079482
Energy: 0.9754130286385836
Energy: 1.0768499038079482
Energy: 0.9754130286353988
Energy: 0.8621792131807124
Energy: 0.9617860110875222
Energy: 0.862179213187878
Energy: 0.9617860110907068
Energy: 0.8621792131815085
Energy: 0.9617860110899107
Energy: 1.056296549095689
Energy: 1.0546754306620387
Energy: 1.0562965490964853
Energy: 1.0546754306604464
Energy: 1.056296549095689
Energy: 1.0546754306612427
Energy: 0.9773820946031982
Energy: 1.0852869919489345
Energy: 0.9773820946047908
Energy: 1.0852869919505266
Energy: 0.9773820946031982
Energy: 1.0852869919529153
Energy: 0.949720711719992
Energy: 0.9529477542576892
Energy: 0.9497207117191956
Energy: 0.9529477542608739
Energy: 0.9497207117191956
Energy: 0.9529477542608739
Energy: 1.122058348091041
Energy: 1.1065623112747258
Energy: 1.1220583480918371
Energy: 1.1065623112747258
Energy: 1.1220583480918371
Energy: 1.10656231127393
Energy: 0.9828706769507184
Energy: 1.061492773648744
Energy: 0.9828706769523108
Energy: 1.0614927736495403
Energy: 0.9828706769523108
Energy: 1.061492773648744
Energy: 1.0867687951308205
Energy: 1.0528155988122576
Energy: 1.0867687951308205
Energy: 1.0528155988122576
Energy: 1.0867687951300242
Energy: 1.0528155988122576
Energy: 0.9870440496341565
Energy: 1.037598339904043
Energy: 0.9870440496333602
Energy: 1.037598339904043
Energy: 0.9870440496341565
Energy: 1.037598339904043
Energy: 0.9820457276292659
Energy: 1.145550063055086
Energy: 0.9820457276292659
Energy: 1.145550063055086
Energy: 0.9820457276284696
Energy: 1.145550063055086
Energy: 0.9699845132896815
Energy: 1.082572684957009
Energy: 0.9699845132880891
Energy: 1.0825726849554165
Energy: 0.9699845132857006
Energy: 1.0825726849562125
Energy: 0.9957169841011213
Energy: 0.9794891096562666
Energy: 0.9957169841011213
Energy: 0.9794891096554705
Energy: 0.9957169841003252
Energy: 0.9794891096554705
Energy: 1.0066191564637261
Energy: 1.0037621577371783
Energy: 1.0066191564645226
Energy: 1.0037621577395668
Energy: 1.0066191564613376
Energy: 1.0037621577379745
Energy: 1.0126638437186548
Energy: 1.0725378176415494
Energy: 1.012663843719451
Energy: 1.0725378176415494
Energy: 1.0126638437186548
Energy: 1.0725378176415494
Energy: 1.0176960151034848
Energy: 0.9638401268951828
Energy: 1.0176960151066692
Energy: 0.9638401268951828
Energy: 1.0176960151074657
Energy: 0.9638401268951828
Energy: 1.0591294900522759
Energy: 1.0593538459664325
Energy: 1.0591294900514796
Energy: 1.0593538459656364
Energy: 1.0591294900522759
Energy: 1.0593538459656364
Energy: 1.1268468630988249
Energy: 1.0133879609331125
Energy: 1.1268468630980288
Energy: 1.013387960932316
Energy: 1.1268468630980288
Energy: 1.013387960932316
Energy: 1.1579121702472486
Energy: 0.9766924787927974
Energy: 1.1579121702464523
Energy: 0.9766924787920013
Energy: 1.1579121702472486
Energy: 0.9766924787912052
Energy: 1.0801824229689345
Energy: 1.151532592220225
Energy: 1.0801824229689345
Energy: 1.1515325922210211
Energy: 1.0801824229689345
Energy: 1.1515325922210211
Energy: 1.0591688266602022
Energy: 0.966915140387368
Energy: 1.0591688266602022
Energy: 0.9669151403881643
Energy: 1.0591688266602022
Energy: 0.966915140387368

minimum gb energy = 0.8621792131807124 eV
minimum distance =  2.32998610864946 Angstroms
sigma value = 33


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

Energy: 1.239271929357611
Energy: 1.0615214238907156
Energy: 1.2392719293571057
Energy: 1.0615214238912205
Energy: 1.239271929357611
Energy: 1.0615214238912205
Energy: 1.092625286516047
Energy: 1.118390052283667
Energy: 1.092625286516552
Energy: 1.1183900522851822
Energy: 1.092625286516047
Energy: 1.118390052284677
Energy: 1.1735344523408833
Energy: 1.1269842919656703
Energy: 1.1735344523403781
Energy: 1.12698429196466
Energy: 1.1735344523408833
Energy: 1.1269842919651651
Energy: 1.1886798519086925
Energy: 1.1074636665510513
Energy: 1.1886798519081874
Energy: 1.1074636665510513
Energy: 1.1886798519081874
Energy: 1.1074636665510513
Energy: 1.1042158246421196
Energy: 1.1193382347388678
Energy: 1.1042158246416145
Energy: 1.1193382347383627
Energy: 1.1042158246416145
Energy: 1.1193382347383627
Energy: 1.2750295493018244
Energy: 1.245422431202653
Energy: 1.2750295493018244
Energy: 1.245422431203663
Energy: 1.2750295493008141
Energy: 1.2454224312041682
Energy: 1.0905562049062203
Energy: 1.1663553655648013
Energy: 1.0905562049057154
Energy: 1.1663553655673269
Energy: 1.0905562049057154
Energy: 1.1663553655663166
Energy: 1.187178475485457
Energy: 1.177939549060129
Energy: 1.1871784754859624
Energy: 1.177939549059624
Energy: 1.1871784754889927
Energy: 1.177939549060129
Energy: 1.1047048310352703
Energy: 1.183421346435279
Energy: 1.1047048310357754
Energy: 1.183421346435279
Energy: 1.1047048310357754
Energy: 1.1834213464347736
Energy: 1.1580887074344963
Energy: 1.0899859399927587
Energy: 1.1580887074344963
Energy: 1.089985939993769
Energy: 1.1580887074344963
Energy: 1.0899859399932639
Energy: 1.131670483054938
Energy: 1.1790232198053707
Energy: 1.1316704830483717
Energy: 1.1790232198048656
Energy: 1.1316704830493818
Energy: 1.1790232198053707
Energy: 1.0915416610289266
Energy: 1.101585184527187
Energy: 1.0915416610274113
Energy: 1.1015851845266817
Energy: 1.0915416610274113
Energy: 1.1015851845266817
Energy: 1.24513822172948
Energy: 1.0658073574221367
Energy: 1.2451382217299851
Energy: 1.0658073574221367
Energy: 1.2451382217299851
Energy: 1.0658073574221367
Energy: 1.1081432954664416
Energy: 1.1772003934841353
Energy: 1.108143295467452
Energy: 1.1772003934841353
Energy: 1.1081432954669468
Energy: 1.1772003934846402
Energy: 1.1352118987309108
Energy: 1.1215746819724774
Energy: 1.1352118987309108
Energy: 1.1215746819719723
Energy: 1.1352118987309108
Energy: 1.1215746819724774
Energy: 1.1881302001386114
Energy: 1.222309703877941
Energy: 1.1881302001376013
Energy: 1.2223097038774358
Energy: 1.1881302001381064
Energy: 1.2223097038774358
Energy: 1.2268908717647984
Energy: 1.0995142823434443
Energy: 1.2268908717653035
Energy: 1.0995142823434443
Energy: 1.2268908717658085
Energy: 1.0995142823439494
Energy: 1.210214095830571
Energy: 1.2034112514609816
Energy: 1.2102140958295609
Energy: 1.2034112514599715
Energy: 1.210214095830066
Energy: 1.203411251461992
Energy: 1.0889747096819316
Energy: 1.2051730792516722
Energy: 1.0889747096819316
Energy: 1.205173079252177
Energy: 1.0889747096819316
Energy: 1.2051730792531872
Energy: 1.2563793454036645
Energy: 1.119644652725541
Energy: 1.2563793454036645
Energy: 1.119644652724531
Energy: 1.2563793454041694
Energy: 1.119644652724531
Energy: 1.1828653126036366
Energy: 1.187673426124142
Energy: 1.1828653126031314
Energy: 1.187673426122627
Energy: 1.1828653126016162
Energy: 1.1876734261216164
Energy: 1.1311589031308014
Energy: 1.0804370708431856
Energy: 1.1311589031328217
Energy: 1.0804370708431856
Energy: 1.1311589031318114
Energy: 1.0804370708431856
Energy: 1.1273137489317944
Energy: 1.1786655775778088
Energy: 1.1273137489328044
Energy: 1.1786655775767985
Energy: 1.1273137489322993
Energy: 1.1786655775767985
Energy: 1.1908790415942163
Energy: 1.1011799393479829
Energy: 1.1908790415921962
Energy: 1.1011799393479829
Energy: 1.1908790415937112
Energy: 1.1011799393479829
Energy: 1.0915705584296596
Energy: 1.1012461528539779
Energy: 1.0915705584306696
Energy: 1.1012461528534727
Energy: 1.0915705584306696
Energy: 1.1012461528544832
Energy: 1.1468588627807415
Energy: 1.1850737740369295
Energy: 1.1468588627792262
Energy: 1.1850737740379396
Energy: 1.1468588627792262
Energy: 1.1850737740369295
Energy: 1.0902044977678678
Energy: 1.0787528688725687
Energy: 1.0902044977673628
Energy: 1.078752868873579
Energy: 1.0902044977673628
Energy: 1.0787528688730739
Energy: 1.210615147580336
Energy: 1.2467254342102971
Energy: 1.2106151475788207
Energy: 1.246725434209792
Energy: 1.2106151475783156
Energy: 1.246725434209792
Energy: 1.2573275193756852
Energy: 1.1205158667097321
Energy: 1.25732751937417
Energy: 1.1205158667097321
Energy: 1.2573275193721494
Energy: 1.1205158667097321
Energy: 1.0885264933555003
Energy: 1.0542174904892643
Energy: 1.0885264933555003
Energy: 1.054217490493305
Energy: 1.0885264933549952
Energy: 1.0542174904973458
Energy: 1.2616757795162907
Energy: 1.2743281491103136
Energy: 1.2616757795157856
Energy: 1.2743281491108185
Energy: 1.2616757795173013
Energy: 1.2743281491113236
Energy: 1.2338077714556919
Energy: 1.1198449690767585
Energy: 1.2338077714556919
Energy: 1.1198449690757484
Energy: 1.2338077714567022
Energy: 1.1198449690757484
Energy: 1.1859968307613686
Energy: 1.2260385853444884
Energy: 1.1859968307608635
Energy: 1.2260385853444884
Energy: 1.1859968307613686
Energy: 1.2260385853444884
Energy: 1.133935133338904
Energy: 1.1181999681212522
Energy: 1.1339351333394092
Energy: 1.1181999681212522
Energy: 1.133935133337894
Energy: 1.1181999681227675
Energy: 1.101299812178269
Energy: 1.1264684311953004
Energy: 1.101299812177764
Energy: 1.1264684311968156
Energy: 1.101299812178269
Energy: 1.1264684311978257
Energy: 1.2421825084854672
Energy: 1.0637821719776581
Energy: 1.2421825084859721
Energy: 1.0637821719781633
Energy: 1.242182508484962
Energy: 1.0637821719776581
Energy: 1.0963715250131323
Energy: 1.1212120197296567
Energy: 1.0963715250131323
Energy: 1.1212120197301618
Energy: 1.0963715250131323
Energy: 1.1212120197301618

minimum gb energy = 1.0542174904892643 eV
minimum distance =  2.27065552466195 Angstroms
sigma value = 41


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

Energy: 1.3695232375101913
Energy: 1.2696815934557812
Energy: 1.3695232375101913
Energy: 1.2696815934557812
Energy: 1.3695232375101913
Energy: 1.2696815934557812
Energy: 1.2591732297703644
Energy: 1.3062755214944646
Energy: 1.2591732297703644
Energy: 1.3062755214944646
Energy: 1.2591732297689853
Energy: 1.3062755214944646
Energy: 1.4456135913977315
Energy: 1.3377414605571705
Energy: 1.4456135913991104
Energy: 1.3377414605585496
Energy: 1.4456135913991104
Energy: 1.3377414605585496
Energy: 1.3343294584093526
Energy: 1.3860872313051187
Energy: 1.3343294584093526
Energy: 1.3860872313051187
Energy: 1.3343294584079732
Energy: 1.3860872313037396
Energy: 1.3825198323705297
Energy: 1.2955314430701756
Energy: 1.3825198323691503
Energy: 1.2955314430701756
Energy: 1.3825198323677714
Energy: 1.2955314430701756
Energy: 1.4354948615509073
Energy: 1.4035407397366404
Energy: 1.4354948615536656
Energy: 1.4035407397352615
Energy: 1.4354948615522867
Energy: 1.4035407397366404
Energy: 1.370507018634562
Energy: 1.244933004428937
Energy: 1.370507018634562
Energy: 1.244933004428937
Energy: 1.370507018634562
Energy: 1.244933004428937
Energy: 1.3361681767118518
Energy: 1.3290589265746164
Energy: 1.3361681767118518
Energy: 1.3290589265746164
Energy: 1.3361681767118518
Energy: 1.3290589265746164
Energy: 1.2595488027036081
Energy: 1.2613952866998108
Energy: 1.2595488027022292
Energy: 1.2613952866970526
Energy: 1.2595488027036081
Energy: 1.2613952866970526
Energy: 1.3713494519230962
Energy: 1.2736764053494745
Energy: 1.3713494519230962
Energy: 1.2736764053480953
Energy: 1.3713494519230962
Energy: 1.2736764053494745
Energy: 1.2606802033166586
Energy: 1.3385045089677412
Energy: 1.2606802033152797
Energy: 1.3385045089677412
Energy: 1.2606802033152797
Energy: 1.3385045089677412
Energy: 1.3280947109095331
Energy: 1.3053242480354537
Energy: 1.3280947109095331
Energy: 1.3053242480340748
Energy: 1.3280947109109122
Energy: 1.3053242480340748
Energy: 1.3638838689093828
Energy: 1.3866491889756323
Energy: 1.3638838689093828
Energy: 1.3866491889770116
Energy: 1.3638838689093828
Energy: 1.3866491889742536
Energy: 1.3796572292991012
Energy: 1.306476768005344
Energy: 1.3796572292991012
Energy: 1.3064767680039648
Energy: 1.3796572292991012
Energy: 1.3064767680039648

minimum gb energy = 1.244933004428937 eV
minimum distance =  2.22364226118427 Angstroms
sigma value = 11


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

Energy: 1.5266145157410898
Energy: 1.4964053372464
Energy: 1.5266145157410898
Energy: 1.4964053372464
Energy: 1.5266145157423014
Energy: 1.4964053372464
Energy: 1.4031705107823023
Energy: 1.4818889691827108
Energy: 1.4031705107823023
Energy: 1.4818889691827108
Energy: 1.4031705107823023
Energy: 1.4818889691827108
Energy: 1.4735094094806946
Energy: 1.4822953182529264
Energy: 1.473509409480089
Energy: 1.4822953182529264
Energy: 1.4735094094782715
Energy: 1.4822953182535321
Energy: 1.4756505847456856
Energy: 1.4291115836992472
Energy: 1.4756505847462913
Energy: 1.4291115836992472
Energy: 1.4756505847462913
Energy: 1.4291115836992472
Energy: 1.5134779177904856
Energy: 1.4599624339685116
Energy: 1.5134779177898798
Energy: 1.4599624339685116
Energy: 1.513477917789274
Energy: 1.4599624339685116
Energy: 1.4384438033899287
Energy: 1.4972181892232979
Energy: 1.4384438033899287
Energy: 1.4972181892232979
Energy: 1.4384438033899287
Energy: 1.4972181892232979
Energy: 1.4658546672448363
Energy: 1.468796766961945
Energy: 1.4658546672448363
Energy: 1.468796766961339
Energy: 1.4658546672448363
Energy: 1.468796766961339
Energy: 1.471922131446202
Energy: 1.4811686175908514
Energy: 1.4719221314455964
Energy: 1.481168617592063
Energy: 1.471922131446202
Energy: 1.4811686175914573
Energy: 1.481871159515534
Energy: 1.4534460963620512
Energy: 1.481871159515534
Energy: 1.4534460963620512
Energy: 1.481871159515534
Energy: 1.4534460963626572
Energy: 1.4565091675899386
Energy: 1.4889349644029821
Energy: 1.4565091675899386
Energy: 1.488934964403588
Energy: 1.4565091675899386
Energy: 1.488934964403588
Energy: 1.4538298686756552
Energy: 1.4692824191583262
Energy: 1.4538298686756552
Energy: 1.4692824191577203
Energy: 1.4538298686756552
Energy: 1.4692824191583262
Energy: 1.4815578690664064
Energy: 1.5062906072711444
Energy: 1.481557869065195
Energy: 1.5062906072705384
Energy: 1.4815578690658004
Energy: 1.5062906072705384
Energy: 1.4865231073369882
Energy: 1.4517465925985658
Energy: 1.4865231073369882
Energy: 1.4517465925985658
Energy: 1.4865231073369882
Energy: 1.4517465925985658
Energy: 1.447699651583089
Energy: 1.5081781650195787
Energy: 1.447699651583089
Energy: 1.5081781650201846
Energy: 1.447699651583089
Energy: 1.5081781650195787
Energy: 1.4395449946811218
Energy: 1.4531398136402336
Energy: 1.4395449946811218
Energy: 1.4531398136396276
Energy: 1.4395449946811218
Energy: 1.4531398136396276
Energy: 1.4669079463752976
Energy: 1.4687452070292015
Energy: 1.4669079463746917
Energy: 1.4687452070292015
Energy: 1.4669079463752976
Energy: 1.4687452070292015
Energy: 1.420474022429275
Energy: 1.466188657243778
Energy: 1.420474022429275
Energy: 1.4661886572449896
Energy: 1.420474022429275
Energy: 1.466188657243778
Energy: 1.524894877610608
Energy: 1.5260346199058021
Energy: 1.524894877611214
Energy: 1.5260346199058021
Energy: 1.524894877611214
Energy: 1.5260346199051962
Energy: 1.4360110763770122
Energy: 1.406523818926647
Energy: 1.4360110763770122
Energy: 1.406523818926647
Energy: 1.4360110763770122
Energy: 1.406523818926647
Energy: 1.4815966413354518
Energy: 1.4552391467053023
Energy: 1.4815966413366635
Energy: 1.4552391467053023
Energy: 1.4815966413354518
Energy: 1.4552391467053023
Energy: 1.4136239993567004
Energy: 1.4399643983368942
Energy: 1.4136239993567004
Energy: 1.4399643983368942
Energy: 1.4136239993567004
Energy: 1.4399643983368942
Energy: 1.558347757574037
Energy: 1.4944593019329526
Energy: 1.558347757574037
Energy: 1.4944593019329526
Energy: 1.558347757574037
Energy: 1.4944593019329526
Energy: 1.4559680747928125
Energy: 1.4832547701163563
Energy: 1.4559680747928125
Energy: 1.4832547701163563
Energy: 1.4559680747928125
Energy: 1.4832547701157504
Energy: 1.5213006698540283
Energy: 1.4819839043506213
Energy: 1.5213006698534228
Energy: 1.481983904350016
Energy: 1.5213006698540283
Energy: 1.4819839043506213
Energy: 1.4494755549965805
Energy: 1.4628653102886928
Energy: 1.4494755549971863
Energy: 1.4628653102880869
Energy: 1.4494755549965805
Energy: 1.4628653102886928
Energy: 1.4588723955968297
Energy: 1.4712602653698954
Energy: 1.4588723955968297
Energy: 1.4712602653692897
Energy: 1.458872395596224
Energy: 1.4712602653698954
Energy: 1.4375791276224505
Energy: 1.515598845711969
Energy: 1.4375791276224505
Energy: 1.5155988457137861
Energy: 1.4375791276218446
Energy: 1.5155988457125746
Energy: 1.481727397263255
Energy: 1.4568980196043912
Energy: 1.481727397262649
Energy: 1.4568980196037853
Energy: 1.4817273972614375
Energy: 1.4568980196043912
Energy: 1.4490432441584018
Energy: 1.5006038912276178
Energy: 1.4490432441584018
Energy: 1.5006038912282234
Energy: 1.4490432441584018
Energy: 1.5006038912288293
Energy: 1.4421759880949225
Energy: 1.394856580003986
Energy: 1.4421759880943166
Energy: 1.3948565800051975
Energy: 1.4421759880949225
Energy: 1.394856580003986
Energy: 1.466325933536
Energy: 1.5080708906981746
Energy: 1.466325933536
Energy: 1.5080708906981746
Energy: 1.4663259335353942
Energy: 1.5080708906975686

minimum gb energy = 1.394856580003986 eV
minimum distance =  2.20007228192926 Angstroms
sigma value = 57


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

Energy: 1.4312067247361984
Energy: 1.430634898561189
Energy: 1.4312067247372762
Energy: 1.430634898561189
Energy: 1.4312067247372762
Energy: 1.430634898561189
Energy: 1.4947195717076045
Energy: 1.49763475491253
Energy: 1.4947195717076045
Energy: 1.4976347549136078
Energy: 1.4947195717076045
Energy: 1.49763475491253
Energy: 1.4983557006560315
Energy: 1.4762466317525085
Energy: 1.4983557006549535
Energy: 1.4762466317525085
Energy: 1.4983557006560315
Energy: 1.4762466317535865
Energy: 1.448897745385441
Energy: 1.4860299992755475
Energy: 1.4488977453865188
Energy: 1.4860299992777035
Energy: 1.4488977453865188
Energy: 1.469875430602258
Energy: 1.4983317555329778
Energy: 1.476387134298411
Energy: 1.4983317555329778
Energy: 1.476387134298411
Energy: 1.4983317555329778
Energy: 1.476387134298411
Energy: 1.4949306264124926
Energy: 1.437231118594775
Energy: 1.4949306264124926
Energy: 1.437231118594775
Energy: 1.4949306264124926
Energy: 1.437231118594775
Energy: 1.4312067247372762
Energy: 1.430634898561189
Energy: 1.4312067247361984
Energy: 1.430634898561189
Energy: 1.4312067247372762
Energy: 1.430634898561189
Energy: 1.4947195717076045
Energy: 1.497634754914686
Energy: 1.4947195717076045
Energy: 1.4976347549136078
Energy: 1.4947195717076045
Energy: 1.4976347549136078
Energy: 1.4983557006560315
Energy: 1.4762466317525085
Energy: 1.4983557006560315
Energy: 1.4762466317525085
Energy: 1.4983557006560315
Energy: 1.4762466317525085
Energy: 1.4488977453865188
Energy: 1.5331824538781786
Energy: 1.448897745385441
Energy: 1.5618206105052603
Energy: 1.4488977453865188
Energy: 1.469875430602258
Energy: 1.4983317555318998
Energy: 1.476387134298411
Energy: 1.4983317555318998
Energy: 1.476387134298411
Energy: 1.4983317555329778
Energy: 1.476387134298411
Energy: 1.4949306264124926
Energy: 1.437231118594775
Energy: 1.4949306264124926
Energy: 1.437231118594775
Energy: 1.4949306264124926
Energy: 1.437231118594775
Energy: 1.4312067247372762
Energy: 1.430634898561189
Energy: 1.4312067247372762
Energy: 1.430634898561189
Energy: 1.4312067247361984
Energy: 1.430634898561189
Energy: 1.4947195717076045
Energy: 1.4976347549136078
Energy: 1.4947195717086825
Energy: 1.4976347549136078
Energy: 1.4947195717076045
Energy: 1.4976347549136078
Energy: 1.4983557006560315
Energy: 1.4762466317535865
Energy: 1.4983557006560315
Energy: 1.4762466317525085
Energy: 1.4983557006549535
Energy: 1.4762466317525085
Energy: 1.448897745385441
Energy: 1.46964255369172
Energy: 1.4488977453865188
Energy: 1.46964255369172
Energy: 1.448897745385441
Energy: 1.4696425536927982
Energy: 1.4983317555329778
Energy: 1.476387134298411
Energy: 1.4983317555329778
Energy: 1.476387134298411
Energy: 1.4983317555318998
Energy: 1.476387134298411

minimum gb energy = 1.430634898561189 eV
minimum distance =  2.2703867482768 Angstroms
sigma value = 9


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

Energy: 1.5131618022556512
Energy: 1.6016055216833782
Energy: 1.5131618022556512
Energy: 1.6016055216833782
Energy: 1.5131618022556512
Energy: 1.6016055216833782
Energy: 1.5570829248116957
Energy: 1.5266386416013165
Energy: 1.5570829248116957
Energy: 1.5266386416004363
Energy: 1.5570829248116957
Energy: 1.5266386416004363
Energy: 1.5811576947339838
Energy: 1.5143562447908678
Energy: 1.5811576947339838
Energy: 1.5143562447908678
Energy: 1.5811576947331039
Energy: 1.5143562447908678
Energy: 1.5021850562299406
Energy: 1.6527318769438124
Energy: 1.5021850562290602
Energy: 1.6527318769429322
Energy: 1.5021850562299406
Energy: 1.6527318769429322
Energy: 1.5361772493640997
Energy: 1.5252357632411173
Energy: 1.5361772493640997
Energy: 1.5252357632402374
Energy: 1.5361772493640997
Energy: 1.5252357632402374
Energy: 1.5300288430875473
Energy: 1.5112298915802298
Energy: 1.5300288430875473
Energy: 1.5112298915802298
Energy: 1.5300288430875473
Energy: 1.5112298915811098
Energy: 1.496878215801737
Energy: 1.5651495756978535
Energy: 1.496878215801737
Energy: 1.5651495756978535
Energy: 1.496878215801737
Energy: 1.565149575698734
Energy: 1.4834378775845276
Energy: 1.547787790099231
Energy: 1.4834378775836472
Energy: 1.5477877900983508
Energy: 1.4834378775836472
Energy: 1.547787790099231
Energy: 1.6984612908375292
Energy: 1.5376432363869779
Energy: 1.6984612908375292
Energy: 1.5376432363869779
Energy: 1.6984612908375292
Energy: 1.5376432363869779
Energy: 1.4942844482819329
Energy: 1.5295144791354682
Energy: 1.4942844482819329
Energy: 1.5295144791354682
Energy: 1.4942844482819329
Energy: 1.5295144791354682
Energy: 1.5567011095288432
Energy: 1.5600077721998595
Energy: 1.5567011095288432
Energy: 1.56000777220074
Energy: 1.5567011095288432
Energy: 1.5600077721998595
Energy: 1.6199732387457175
Energy: 1.5156690671321364
Energy: 1.6199732387483583
Energy: 1.5156690671321364
Energy: 1.6199732387465977
Energy: 1.5156690671321364
Energy: 1.5163663661047404
Energy: 1.5761518131064909
Energy: 1.5163663661038604
Energy: 1.5761518131064909
Energy: 1.51636636610298
Energy: 1.5761518131073713
Energy: 1.5586075543970133
Energy: 1.582666331516731
Energy: 1.5586075543970133
Energy: 1.582666331516731
Energy: 1.5586075543970133
Energy: 1.582666331516731
Energy: 1.6417543451880696
Energy: 1.5258692521092994
Energy: 1.6417543451871892
Energy: 1.5258692521092994
Energy: 1.6417543451871892
Energy: 1.5258692521101798
Energy: 1.5198305025981103
Energy: 1.546558441805039
Energy: 1.5198305025981103
Energy: 1.546558441804159
Energy: 1.5198305025989904
Energy: 1.546558441805039
Energy: 1.5431575469872982
Energy: 1.544849357728414
Energy: 1.5431575469872982
Energy: 1.544849357728414
Energy: 1.5431575469872982
Energy: 1.544849357728414
Energy: 1.7111061137563555
Energy: 1.514745411745933
Energy: 1.711106113758116
Energy: 1.5147454117476533
Energy: 1.7111061137572356
Energy: 1.5147454117476533
Energy: 1.5036384656498512
Energy: 1.535503982162142
Energy: 1.5036384656498512
Energy: 1.5355039821630223
Energy: 1.5036384656498512
Energy: 1.5355039821639025
Energy: 1.5591057987119268
Energy: 1.5465258469350702
Energy: 1.5591057987119268
Energy: 1.54652584693419
Energy: 1.5591057987119268
Energy: 1.54652584693419
Energy: 1.6222334994739578
Energy: 1.5145622109979433
Energy: 1.6222334994739578
Energy: 1.5145622109979433
Energy: 1.6222334994739578
Energy: 1.5145622109988235

minimum gb energy = 1.4834378775836472 eV
minimum distance =  2.24258193243535 Angstroms
sigma value = 27


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

Energy: 1.4599269145536902
Energy: 1.5422700586932299
Energy: 1.3920764779523553
Energy: 1.5422700586932299
Energy: 1.4599269145536902
Energy: 1.5422700586932299
Energy: 1.4952900947644123
Energy: 1.4516961863738262
Energy: 1.4952900947644123
Energy: 1.4516961863738262
Energy: 1.4952900947644123
Energy: 1.451696186374568
Energy: 1.5588212685490899
Energy: 1.4237729830048467
Energy: 1.558821268548348
Energy: 1.4237729830048467
Energy: 1.5588212685490899
Energy: 1.4237729830048467
Energy: 1.3914896986829564
Energy: 1.6257049703494248
Energy: 1.3914896986829564
Energy: 1.6257049703494248
Energy: 1.3914896986829564
Energy: 1.6257049703494248
Energy: 1.452501984180317
Energy: 1.4355936930685198
Energy: 1.452501984180317
Energy: 1.4355936930685198
Energy: 1.452501984180317
Energy: 1.4355936930685198
Energy: 1.544552662727497
Energy: 1.3915898154946111
Energy: 1.544552662727497
Energy: 1.391589815495353
Energy: 1.544552662727497
Energy: 1.3915898154946111
Energy: 1.3917197346017953
Energy: 1.5579649485186104
Energy: 1.3917197346017953
Energy: 1.5579649485178684
Energy: 1.3917197346010532
Energy: 1.5579649485178684
Energy: 1.588174744360931
Energy: 1.512875341053562
Energy: 1.5881747443601895
Energy: 1.5128753410528202
Energy: 1.5881747443601895
Energy: 1.512875341053562
Energy: 1.4872132861250353
Energy: 1.39156232274066
Energy: 1.4872132861250353
Energy: 1.39156232274066
Energy: 1.4872132861250353
Energy: 1.3915623227414018
Energy: 1.3915750317447655
Energy: 1.4891049101255749
Energy: 1.3915750317447655
Energy: 1.4891049101255749
Energy: 1.3915750317455076
Energy: 1.4891049101248328
Energy: 1.3915409404321164
Energy: 1.5349873386154123
Energy: 1.3915409404321164
Energy: 1.5349873386154123
Energy: 1.3915409404321164
Energy: 1.5349873386154123
Energy: 1.5545028197263473
Energy: 1.4290571406592807
Energy: 1.5545028197270894
Energy: 1.4290571406592807
Energy: 1.5545028197263473
Energy: 1.4290571406592807
Energy: 1.513244144396085
Energy: 1.5886579899014666
Energy: 1.513244144396085
Energy: 1.5886579899014666
Energy: 1.513244144396085
Energy: 1.5886579899014666
Energy: 1.3919351758798377
Energy: 1.4875761744492135
Energy: 1.3919351758798377
Energy: 1.4875761744499556
Energy: 1.3919351758798377
Energy: 1.4875761744484715
Energy: 1.5474027918821838
Energy: 1.3915840895512188
Energy: 1.547402791881442
Energy: 1.3915840895512188
Energy: 1.547402791881442
Energy: 1.3915840895512188
Energy: 1.4523771780010382
Energy: 1.435656527930717
Energy: 1.4523771780002963
Energy: 1.435656527930717
Energy: 1.4523771780002963
Energy: 1.435656527930717
Energy: 1.4276008839044974
Energy: 1.5471466129428444
Energy: 1.427600883903755
Energy: 1.5471466129428444
Energy: 1.427600883903755
Energy: 1.5471466129428444
Energy: 1.5514727963865529
Energy: 1.4192265765265488
Energy: 1.5514727963880368
Energy: 1.4192265765265488
Energy: 1.5514727963880368
Energy: 1.4192265765258067
Energy: 1.4771179444757345
Energy: 1.4444744078684395
Energy: 1.4175004099687092
Energy: 1.4444744078691814
Energy: 1.4771179444757345
Energy: 1.4444744078684395
Energy: 1.4599269145536902
Energy: 1.5422700586932299
Energy: 1.3920764779530972
Energy: 1.5422700586924878
Energy: 1.4599269145536902
Energy: 1.5422700586932299
Energy: 1.4952900947644123
Energy: 1.4516961863738262
Energy: 1.4952900947644123
Energy: 1.451696186374568
Energy: 1.4952900947644123
Energy: 1.4516961863738262
Energy: 1.5588212685490899
Energy: 1.4237729830048467
Energy: 1.558821268548348
Energy: 1.4237729830048467
Energy: 1.558821268549832
Energy: 1.4237729830048467
Energy: 1.3914896986836982
Energy: 1.6257049703494248
Energy: 1.3914896986829564
Energy: 1.6257049703494248
Energy: 1.3914896986829564
Energy: 1.6257049703494248
Energy: 1.452501984180317
Energy: 1.4355936930685198
Energy: 1.452501984180317
Energy: 1.4355936930685198
Energy: 1.452501984180317
Energy: 1.4355936930685198
Energy: 1.544552662727497
Energy: 1.3915898154946111
Energy: 1.544552662727497
Energy: 1.3915898154946111
Energy: 1.544552662727497
Energy: 1.3915898154946111

minimum gb energy = 1.3914896986829564 eV
minimum distance =  2.2893287191882 Angstroms
sigma value = 19


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

Energy: 1.3850326415402638
Energy: 1.6192878926410725
Energy: 1.3850326415402638
Energy: 1.6192878926410725
Energy: 1.3850326415409042
Energy: 1.6192878926410725
Energy: 1.4898937292176413
Energy: 1.3909291002059894
Energy: 1.4898937292170007
Energy: 1.3909291002059894
Energy: 1.4898937292170007
Energy: 1.3909291002059894
Energy: 1.5605816456584982
Energy: 1.3251691395049714
Energy: 1.5605816456584982
Energy: 1.3251691395049714
Energy: 1.5605816456584982
Energy: 1.325169139504331
Energy: 1.3458953090630512
Energy: 1.5368654342590617
Energy: 1.3458953090630512
Energy: 1.5368654342590617
Energy: 1.3458953090630512
Energy: 1.5368654342584211
Energy: 1.4335111433664505
Energy: 1.5016171564746517
Energy: 1.4335111433664505
Energy: 1.5016171564746517
Energy: 1.4335111433664505
Energy: 1.5016171564740113
Energy: 1.5033051422089632
Energy: 1.3481428108851938
Energy: 1.5033051422096035
Energy: 1.3481428108858344
Energy: 1.5033051422083228
Energy: 1.3481428108858344
Energy: 1.3322658845193622
Energy: 1.4875615234712785
Energy: 1.3322658845193622
Energy: 1.487561523469357
Energy: 1.3322658845193622
Energy: 1.4875615234725594
Energy: 1.4003880512169768
Energy: 1.494388626592446
Energy: 1.4003880512169768
Energy: 1.4943886265681086
Energy: 1.4003880512169768
Energy: 1.494388626592446
Energy: 1.6082364190066363
Energy: 1.3248022135208535
Energy: 1.6082364190066363
Energy: 1.324802213520213
Energy: 1.6082364190072764
Energy: 1.324802213520213
Energy: 1.4633800865057836
Energy: 1.4686831904476618
Energy: 1.4633800865057836
Energy: 1.4686831904476618
Energy: 1.4633800865057836
Energy: 1.4686831904476618
Energy: 1.332914732370436
Energy: 1.5661547958948052
Energy: 1.332914732370436
Energy: 1.5661547958928839
Energy: 1.332914732370436
Energy: 1.5661547958922433
Energy: 1.572275440197017
Energy: 1.3513292100291308
Energy: 1.5722754401963766
Energy: 1.3513292100291308
Energy: 1.572275440197017
Energy: 1.3513292100291308
Energy: 1.4386926613704203
Energy: 1.3755410965943167
Energy: 1.4386926613697797
Energy: 1.3755410965930357
Energy: 1.4386926613710314
Energy: 1.3755410965943167
Energy: 1.3463710348416627
Energy: 1.5194698502123751
Energy: 1.3463710348416627
Energy: 1.5194698502117345
Energy: 1.3463710348416627
Energy: 1.5194698502123751
Energy: 1.532116396499289
Energy: 1.3252366476713278
Energy: 1.532116396499289
Energy: 1.3252366476719684
Energy: 1.5321163964999296
Energy: 1.3252366476713278
Energy: 1.5681943433902497
Energy: 1.3249388054632139
Energy: 1.5681943433902497
Energy: 1.3249388054632139
Energy: 1.5681943433896093
Energy: 1.324938805464495
Energy: 1.3612580579298361
Energy: 1.5448923461619117
Energy: 1.3612580579291955
Energy: 1.5448923461619117
Energy: 1.3612580579298361
Energy: 1.5448923461625523
Energy: 1.4783457134110884
Energy: 1.42505389245024
Energy: 1.4783457134104478
Energy: 1.42505389245024
Energy: 1.4783457134110884
Energy: 1.4250538924515213
Energy: 1.5518241801333008
Energy: 1.3464055098785428
Energy: 1.5518241801339414
Energy: 1.3464055098785428
Energy: 1.5518241801339414
Energy: 1.3464055098791832
Energy: 1.3492643093041086
Energy: 1.5271076250649052
Energy: 1.3492643093041086
Energy: 1.5271076250642648
Energy: 1.3492643093041086
Energy: 1.5271076250649052
Energy: 1.3320857541184923
Energy: 1.5686833940392375
Energy: 1.3320857541184923
Energy: 1.568683394039878
Energy: 1.3320857541184923
Energy: 1.5686833940405185
Energy: 1.6115826225789438
Energy: 1.3505771218041889
Energy: 1.6115826225840675
Energy: 1.3505771218041889
Energy: 1.6115826225923935
Energy: 1.3505771218041889
Energy: 1.43856132489991
Energy: 1.3939172350907738
Energy: 1.43856132489991
Energy: 1.3939172350914142
Energy: 1.43856132489991
Energy: 1.3939172350901332
Energy: 1.3794047794127262
Energy: 1.5541999993286955
Energy: 1.3794047794133664
Energy: 1.5541999993286955
Energy: 1.3794047794133664
Energy: 1.5541999993286955
Energy: 1.511389509250976
Energy: 1.355052575497704
Energy: 1.511389509250976
Energy: 1.3550525754983445
Energy: 1.511389509250976
Energy: 1.355052575497704
Energy: 1.4189053998225458
Energy: 1.3614777911352012
Energy: 1.4189053998231862
Energy: 1.3614777911352012
Energy: 1.4189053998225458
Energy: 1.3614777911352012
Energy: 1.3253443608019781
Energy: 1.529386536788828
Energy: 1.3253443608019781
Energy: 1.5293865367881874
Energy: 1.3253443608013376
Energy: 1.5293865367881874
Energy: 1.5288509009231899
Energy: 1.3464560844495141
Energy: 1.5288509009231899
Energy: 1.3464560844495141
Energy: 1.5288509009231899
Energy: 1.3464560844495141
Energy: 1.502555718494215
Energy: 1.346330551990754
Energy: 1.502555718494215
Energy: 1.3463305519901134
Energy: 1.502555718494215
Energy: 1.3463305519901134

minimum gb energy = 1.324802213520213 eV
minimum distance =  2.24641727938459 Angstroms
sigma value = 101


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

Energy: 1.3010721106416947
Energy: 1.5572487591131452
Energy: 1.3010721106416947
Energy: 1.557248759112582
Energy: 1.3010721106416947
Energy: 1.557248759112582
Energy: 1.4901794337669172
Energy: 1.312244780550021
Energy: 1.4901794337691692
Energy: 1.312244780548895
Energy: 1.4901794337652283
Energy: 1.312244780550584
Energy: 1.5108906283353523
Energy: 1.2819683954812533
Energy: 1.5108906283359154
Energy: 1.2819683954812533
Energy: 1.5108906283353523
Energy: 1.2819683954812533
Energy: 1.2519053414419268
Energy: 1.5182351132577638
Energy: 1.2519053414419268
Energy: 1.5182351132577638
Energy: 1.2519053414419268
Energy: 1.518235113257201
Energy: 1.282070865813648
Energy: 1.3164515695536234
Energy: 1.2820708658130846
Energy: 1.3164515695524974
Energy: 1.2820708658142108
Energy: 1.3164515695536234
Energy: 1.5020714219941151
Energy: 1.2628937833615135
Energy: 1.502071421993552
Energy: 1.2628937833615135
Energy: 1.5020714219952411
Energy: 1.2628937833615135
Energy: 1.312096682509436
Energy: 1.4758109172539846
Energy: 1.312096682509436
Energy: 1.4758109172539846
Energy: 1.312096682509436
Energy: 1.4758109172551106
Energy: 1.2513395917609331
Energy: 1.3276166262765856
Energy: 1.2513395917603702
Energy: 1.3276166262743334
Energy: 1.2513395917603702
Energy: 1.3276166262737703
Energy: 1.501106642699374
Energy: 1.2627811654659697
Energy: 1.501106642698811
Energy: 1.2627811654659697
Energy: 1.501106642698811
Energy: 1.2627811654654066
Energy: 1.3710411337848902
Energy: 1.4459426737937564
Energy: 1.3710411337843271
Energy: 1.4459426737948824
Energy: 1.3710411337843271
Energy: 1.4459426737948824
Energy: 1.2507076162599267
Energy: 1.6464331711725686
Energy: 1.2507076162593638
Energy: 1.6464331711748206
Energy: 1.2507076162593638
Energy: 1.6464331711725686
Energy: 1.3663264085884916
Energy: 1.3136144353898362
Energy: 1.3663264085868025
Energy: 1.3136144353909622
Energy: 1.3663264085856766
Energy: 1.3136144353898362
Energy: 1.4736734979076611
Energy: 1.282053018287663
Energy: 1.4736734979076611
Energy: 1.282053018287663
Energy: 1.4736734979076611
Energy: 1.282053018287663
Energy: 1.3012611225847492
Energy: 1.5396797089887955
Energy: 1.3012611225841864
Energy: 1.5396797089882324
Energy: 1.3012611225841864
Energy: 1.5396797089871066
Energy: 1.3012539364352873
Energy: 1.318595809650129
Energy: 1.3012539364352873
Energy: 1.3185958096276094
Energy: 1.3012539364352873
Energy: 1.3185958096518178
Energy: 1.5093716204742502
Energy: 1.284714364233659
Energy: 1.5093716204736871
Energy: 1.284714364233096
Energy: 1.5093716204736871
Energy: 1.284714364233096
Energy: 1.2508461675748999
Energy: 1.4632606450924033
Energy: 1.2508461675737736
Energy: 1.4632606450895886
Energy: 1.2508461675743368
Energy: 1.4632606450878993
Energy: 1.2447687717397498
Energy: 1.4658773659643278
Energy: 1.2447687717397498
Energy: 1.4658773659654538
Energy: 1.2447687717397498
Energy: 1.465877365964891
Energy: 1.5043352986124727
Energy: 1.2629472598349438
Energy: 1.5043352986124727
Energy: 1.2629472598355065
Energy: 1.504335298613599
Energy: 1.2629472598349438
Energy: 1.3130167405540536
Energy: 1.3133578971635655
Energy: 1.3130167405529276
Energy: 1.3133578971630024
Energy: 1.3130167405529276
Energy: 1.3133578971635655
Energy: 1.270540899904836
Energy: 1.6647725955543673
Energy: 1.270540899904836
Energy: 1.6647725955543673
Energy: 1.270540899904836
Energy: 1.6647725955554933
Energy: 1.4719189955233956
Energy: 1.2627549068674284
Energy: 1.4719189955239587
Energy: 1.2627549068668655
Energy: 1.4719189955233956
Energy: 1.2627549068668655
Energy: 1.4682618797227889
Energy: 1.2626933405158016
Energy: 1.4682618797227889
Energy: 1.2626933405163645
Energy: 1.4682618797227889
Energy: 1.2626933405163645
Energy: 1.2518009384027173
Energy: 1.5332826779570923
Energy: 1.2518009384027173
Energy: 1.5332826779565292
Energy: 1.2518009384027173
Energy: 1.5332826779570923
Energy: 1.4128142546024853
Energy: 1.3189821239901574
Energy: 1.4128142546024853
Energy: 1.3189821239884683
Energy: 1.4128142546030482
Energy: 1.3189821239890314
Energy: 1.49011953117372
Energy: 1.2850058316072337
Energy: 1.49011953117372
Energy: 1.2850058316072337
Energy: 1.490119531175972
Energy: 1.2850058316077966
Energy: 1.3009489383839332
Energy: 1.5067718802627272
Energy: 1.3009489383839332
Energy: 1.5067718802570973
Energy: 1.3009489383839332
Energy: 1.5067718802554082
Energy: 1.3009518286642003
Energy: 1.4368903279352674
Energy: 1.3009518286647632
Energy: 1.4368903279363934
Energy: 1.3009518286642003
Energy: 1.4368903279352674
Energy: 1.533261601860935
Energy: 1.2818900989624908
Energy: 1.533261601861498
Energy: 1.2818900989624908
Energy: 1.5332616018620608
Energy: 1.2818900989624908
Energy: 1.2448474632890614
Energy: 1.4361712473341552
Energy: 1.2448474632913131
Energy: 1.436171247334718
Energy: 1.2448474632901874
Energy: 1.436171247334718
Energy: 1.244789001591323
Energy: 1.486336187583091
Energy: 1.244789001591323
Energy: 1.486336187583091
Energy: 1.244789001591323
Energy: 1.486336187583091
Energy: 1.533909738476507
Energy: 1.2626721774074054
Energy: 1.5339097384759441
Energy: 1.2626721774068423
Energy: 1.5339097384759441
Energy: 1.2626721774074054
Energy: 1.4828752860483665
Energy: 1.2627611595726425
Energy: 1.4828752860483665
Energy: 1.2627611595726425
Energy: 1.4828752860478034
Energy: 1.2627611595726425

minimum gb energy = 1.2447687717397498 eV
minimum distance =  2.26982281935286 Angstroms
sigma value = 33


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

Energy: 0.02053777784093306
Energy: 1.2154171094784045
Energy: 0.02053777784093306
Energy: 1.2154171094784045
Energy: 0.02053777784093306
Energy: 1.215417109477937
Energy: 0.021559616129538373
Energy: 0.43454548123587555
Energy: 0.021559616129538373
Energy: 0.4345454812354077
Energy: 0.021559616129538373
Energy: 0.4345454812354077
Energy: 1.2158796146003492
Energy: 0.43426484011562394
Energy: 1.215879614596711
Energy: 0.43426483959031675
Energy: 1.2158796146081454
Energy: 0.43426484002924215
Energy: 0.021559616129070605
Energy: 0.4345454812354077
Energy: 0.021559616129538373
Energy: 0.43454548123587555
Energy: 0.021559616129538373
Energy: 0.43454548123587555

minimum gb energy = 0.02053777784093306 eV
minimum distance =  2.48002594529621 Angstroms
sigma value = 1