Model name: model_name=EAM_Dynamo_PunMishin_2009_NiAl__MO_751354403791_005
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.52000005543232
cohesive_energy=4.4278017536966265
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -0.022546436667 eV

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

Energy: 0.018067721405442404
Energy: 0.018573035010455655
Energy: 1.4253098777660087
Energy: 0.01857303500983088
Energy: 0.01857303500983088
Energy: 1.295287175755574
Energy: 0.018573035010455655
Energy: 1.2952871757536633
Energy: 1.4253098777666702
Energy: 0.018573035010455655
Energy: 0.018067721405442404
Energy: 0.018573035010455655
Energy: 0.01857303500983088
Energy: 1.2952871757542876
Energy: 0.01857303500983088
Energy: 1.2952871757530013

minimum gb energy = 0.018067721405442404 eV
minimum distance =  2.46556983782296 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 1.4003207307132661
Energy: 1.4430738831168939
Energy: 1.2839004206972082
Energy: 1.4430738831184986
Energy: 1.3124582874698187
Energy: 1.3970312846398047
Energy: 1.3174363406182972
Energy: 1.397031284637398
Energy: 1.231571001848153
Energy: 1.4265630691298017
Energy: 1.2915930260769968
Energy: 1.4265630691289994
Energy: 1.2792081458252624
Energy: 1.3499647587736585
Energy: 1.2801953592496067
Energy: 1.3499647587728563
Energy: 1.2826915927239448
Energy: 1.4487270378878239
Energy: 1.2932707617088506
Energy: 1.4487270378886261
Energy: 1.2522662573374643
Energy: 1.4110584014844838
Energy: 1.240661480758778
Energy: 1.4110584014860883
Energy: 1.3136872387162872
Energy: 1.4222465958708277
Energy: 1.2542239522335887
Energy: 1.4222465958692232
Energy: 1.1759975420570443
Energy: 1.4500857579159097
Energy: 1.21364802618418
Energy: 1.4500857579159097
Energy: 1.280025324742875
Energy: 1.5997739240154578
Energy: 1.3102153535499756
Energy: 1.5997739240146556
Energy: 1.2242161210636802
Energy: 1.4252327008898358
Energy: 1.1594501126089753
Energy: 1.4252327008890333
Energy: 1.3214046098100827
Energy: 1.396236783400196
Energy: 1.2803139274811892
Energy: 1.3962367834009985
Energy: 1.2659222390635452
Energy: 1.449235798551303
Energy: 1.2473258576204735
Energy: 1.4492357985521056
Energy: 1.3155682554537511
Energy: 1.4203322779783756
Energy: 1.3137544340165568
Energy: 1.4203322779799803
Energy: 1.2949477128971278
Energy: 1.4287733645339113
Energy: 1.2596436706681942
Energy: 1.4287733645339113
Energy: 1.294243565335191
Energy: 1.4437586344644329
Energy: 1.2917720077108532
Energy: 1.4437586344652351
Energy: 1.2926166261656518
Energy: 1.4434984046788326
Energy: 1.3112921835784
Energy: 1.4434984046780301
Energy: 1.2920366363173073
Energy: 1.4267529149298197
Energy: 1.2053038194212613
Energy: 1.4267529149298197
Energy: 1.3173697669293387
Energy: 1.3791895781201875
Energy: 1.3127681466384753
Energy: 1.3791895781201875
Energy: 1.2316565528790224
Energy: 1.4489939700916912
Energy: 1.2458130331401371
Energy: 1.448993970094098
Energy: 1.335841743854794
Energy: 1.2968576648088483
Energy: 1.2831059570628947
Energy: 1.2968576648080459
Energy: 1.2287102134557633
Energy: 1.4265227839634163
Energy: 1.1752500772230527
Energy: 1.4265227839626138
Energy: 1.280262107037117
Energy: 1.3039981363030495
Energy: 1.2939076324439243
Energy: 1.3039981363022468
Energy: 1.2931413904570177
Energy: 1.4486235511372203
Energy: 1.2285315393224137
Energy: 1.448623551136418
Energy: 1.2703638184228354
Energy: 1.4220712014873167
Energy: 1.2525023082274698
Energy: 1.4220712014873167
Energy: 1.254363258724292
Energy: 1.4007451459890952
Energy: 1.3164013987474343
Energy: 1.400745145987491
Energy: 1.281565937942569
Energy: 1.449871363923439
Energy: 1.2452089355126952
Energy: 1.449871363921032
Energy: 1.3039200847898786
Energy: 1.3743847484849616
Energy: 1.2799721576089584
Energy: 1.3743847484849616
Energy: 1.234865295161233
Energy: 1.422398768530923
Energy: 1.3685843829011763
Energy: 1.4223987685317254
Energy: 1.3113623737907647
Energy: 1.3669370641816072
Energy: 1.2921385502216682
Energy: 1.366937064180805
Energy: 1.3186139328263686
Energy: 1.4447364221037937
Energy: 1.2713473480969302
Energy: 1.4447364221029915
Energy: 1.3065780943215923
Energy: 1.4281644432672014
Energy: 1.3156327911437995
Energy: 1.4281644432655969
Energy: 1.2712666004396662
Energy: 1.4219185830185288
Energy: 1.2955828674081669
Energy: 1.4219185830185288
Energy: 1.2825596253503473
Energy: 1.4551109926794288
Energy: 1.2824002276904218
Energy: 1.4551109926810335

minimum gb energy = 1.1594501126089753 eV
minimum distance =  2.18809098282303 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 1.484347064342105
Energy: 1.537725718211632
Energy: 1.3118839652262504
Energy: 1.5377257182152908
Energy: 1.3557643722756068
Energy: 1.4714237522591898
Energy: 1.3718901967847723
Energy: 1.4714237522546159
Energy: 1.2969731191728067
Energy: 1.5397849129227816
Energy: 1.3492923778715735
Energy: 1.5397849129209524
Energy: 1.311238963118853
Energy: 1.3343881491024996
Energy: 1.3022382364542127
Energy: 1.3343881491024996
Energy: 1.3111261181561902
Energy: 1.5059236061612542
Energy: 1.3683690935986816
Energy: 1.5059236061594246
Energy: 1.3715655840580094
Energy: 1.5061338251863379
Energy: 1.3307355496630953
Energy: 1.5061338251863379
Energy: 1.3483399590568848
Energy: 1.3351896307686928
Energy: 1.2948114673644862
Energy: 1.3351896307696074
Energy: 1.2110594396341214
Energy: 1.540270707598996
Energy: 1.2853530702140865
Energy: 1.5402707076017403
Energy: 1.3254597004871704
Energy: 1.3751685999200434
Energy: 1.394803777837193
Energy: 1.3751685999218728
Energy: 1.2949769473978363
Energy: 1.5398786936971758
Energy: 1.29528998115532
Energy: 1.53987869369992
Energy: 1.3481383049609503
Energy: 1.4473188425021302
Energy: 1.380486137323734
Energy: 1.4473188425039598
Energy: 1.2689931750095937
Energy: 1.5214344501774058
Energy: 1.3593404768592232
Energy: 1.5214344501856385
Energy: 1.3689835836656041
Energy: 1.5015619386517856
Energy: 1.352526937406873
Energy: 1.5015619386527004
Energy: 1.3689495604686126
Energy: 1.501620478723385
Energy: 1.3272747464651622
Energy: 1.5016204787224707
Energy: 1.268871217960748
Energy: 1.5214598911970396
Energy: 1.3496304575429356
Energy: 1.5214598912016133
Energy: 1.3481354993388437
Energy: 1.4474201330192507
Energy: 1.3717605319895565
Energy: 1.4474201330192507
Energy: 1.2949576724718148
Energy: 1.5398467358195347
Energy: 1.2233097066810972
Energy: 1.539846735821364
Energy: 1.325465683669316
Energy: 1.3753385789677708
Energy: 1.3948505861000513
Energy: 1.3753385789677708
Energy: 1.211039657155088
Energy: 1.5402345383943323
Energy: 1.2541904269458002
Energy: 1.5402345384007357
Energy: 1.3483339842821502
Energy: 1.3351004865977087
Energy: 1.3024013592191068
Energy: 1.3351004865949645
Energy: 1.371641919070986
Energy: 1.5062001740487516
Energy: 1.2769410813811022
Energy: 1.506200174045093
Energy: 1.3111861153427788
Energy: 1.5061132380391204
Energy: 1.350197042694616
Energy: 1.5061132380382058
Energy: 1.311186159837652
Energy: 1.3343319973679422
Energy: 1.2941228399580886
Energy: 1.3343319973615388
Energy: 1.2970999607566298
Energy: 1.5398009907354209
Energy: 1.3493567521150962
Energy: 1.539800990738165
Energy: 1.3558532238025638
Energy: 1.4713995640383162
Energy: 1.37185745005619
Energy: 1.4713995640300837
Energy: 1.4843470643411905
Energy: 1.537725718211632
Energy: 1.3295732092798642
Energy: 1.5377257182152908
Energy: 1.355764372273777
Energy: 1.4714237522591898
Energy: 1.3718901967847723
Energy: 1.4714237522546159
Energy: 1.2969731191737213
Energy: 1.5397849129227816
Energy: 1.3480696846933262
Energy: 1.539784912921867
Energy: 1.3112389631170231
Energy: 1.3343881491024996
Energy: 1.3022382364542127
Energy: 1.3343881491015845

minimum gb energy = 1.211039657155088 eV
minimum distance =  2.15798745283607 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 1.4317188453440612
Energy: 1.6054853876698452
Energy: 1.4124435617173137
Energy: 1.6054853876709088
Energy: 1.450754490869591
Energy: 1.5002413064710665
Energy: 1.3984196302426062
Energy: 1.5002413064710665
Energy: 1.3694958016571446
Energy: 1.663410747299553
Energy: 1.3985465173838776
Energy: 1.663410747299553
Energy: 1.361611264135919
Energy: 1.417150034602698
Energy: 1.3582142256663239
Energy: 1.4171500346037613
Energy: 1.358620199976128
Energy: 1.6057867586117227
Energy: 1.409003810613873
Energy: 1.6057867586138495
Energy: 1.459852230024069
Energy: 1.661725821432134
Energy: 1.4466292056900694
Energy: 1.6617258214331974
Energy: 1.4462621990331692
Energy: 1.3971396281729092
Energy: 1.4094699586054398
Energy: 1.3971396281739723
Energy: 1.4813453466090425
Energy: 1.6124989119055926
Energy: 1.303844460727437
Energy: 1.6124989119045294
Energy: 1.4094044262335736
Energy: 1.518806045531216
Energy: 1.4461908315750667
Energy: 1.518806045531216
Energy: 1.3849057436672232
Energy: 1.662089293916061
Energy: 1.3402521115087962
Energy: 1.662089293916061
Energy: 1.4199823123794155
Energy: 1.602749179647284
Energy: 1.4075766750759535
Energy: 1.602749179647284
Energy: 1.3994834379570935
Energy: 1.6049769713680486
Energy: 1.4076750282788277
Energy: 1.6049769713691122
Energy: 1.384901663587515
Energy: 1.5373005718361108
Energy: 1.3400096722462587
Energy: 1.5373005718361108
Energy: 1.4082417304212471
Energy: 1.4789242332154586
Energy: 1.4466199351281142
Energy: 1.4789242332175854
Energy: 1.310381240942016
Energy: 1.6140190389903746
Energy: 1.3021244963487677
Energy: 1.6140190389893112
Energy: 1.4456319400938438
Energy: 1.3989501276426937
Energy: 1.3584137976852595
Energy: 1.3989501276426937
Energy: 1.2673945568924332
Energy: 1.6635784716773812
Energy: 1.2674727060582034
Energy: 1.6635784716763176
Energy: 1.358115528462221
Energy: 1.5383178490411034
Energy: 1.421195736356797
Energy: 1.5383178490411034
Energy: 1.3271298723707292
Energy: 1.5426483912356908
Energy: 1.358873463375764
Energy: 1.5426483912335642
Energy: 1.4469034089196813
Energy: 1.6614305991084892
Energy: 1.399859164089689
Energy: 1.6614305991084892
Energy: 1.4166248280668425
Energy: 1.5033175798575487
Energy: 1.4003167704071713
Energy: 1.50331757985547
Energy: 1.433946320500412
Energy: 1.6060924511755803
Energy: 1.4339222100948277
Energy: 1.6060924511755803
Energy: 1.4503742092807899
Energy: 1.5383083424735027
Energy: 1.4077836319383532
Energy: 1.5383083424735027
Energy: 1.3677204534772713
Energy: 1.6620790392227156
Energy: 1.3848782650016065
Energy: 1.6620790392227156
Energy: 1.4084262805539471
Energy: 1.4159739770274589
Energy: 1.3586026519406893
Energy: 1.4159739770285218

minimum gb energy = 1.2673945568924332 eV
minimum distance =  2.15595377810048 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 1.49972713541011
Energy: 1.4994011191683019
Energy: 1.4810942902979158
Energy: 1.4994011191657648
Energy: 1.466730474450958
Energy: 1.6018719288842418
Energy: 1.4867344351271043
Energy: 1.6018719288867787
Energy: 1.452058030226665
Energy: 1.507074744963746
Energy: 1.467909226454969
Energy: 1.507074744958672
Energy: 1.5101603703480524
Energy: 1.4918249900192966
Energy: 1.392685028183361
Energy: 1.491824990015491
Energy: 1.564907922028221
Energy: 1.6020520784036154
Energy: 1.4658658752272546
Energy: 1.6020520784023469
Energy: 1.3234187782927187
Energy: 1.5062266628145669
Energy: 1.5018045398905728
Energy: 1.5062266628158356
Energy: 1.4993123843109015
Energy: 1.3930275099875207
Energy: 1.3937762973828396
Energy: 1.3930275099875207
Energy: 1.4383037180299925
Energy: 1.506353001331639
Energy: 1.3778371532543918
Energy: 1.5063530013303703
Energy: 1.4997109902665624
Energy: 1.6020886333575062
Energy: 1.4867334287575833
Energy: 1.602088633354969
Energy: 1.5081456434177642
Energy: 1.499173691783178
Energy: 1.3928708548751851
Energy: 1.499173691783178
Energy: 1.4135430803620779
Energy: 1.5904311687438761
Energy: 1.467894847256371
Energy: 1.5904311687426074
Energy: 1.5088175608770065
Energy: 1.5808630539805348
Energy: 1.393044861647251
Energy: 1.5808630539779975
Energy: 1.323220611234913
Energy: 1.5068652563773537
Energy: 1.3922719271428885
Energy: 1.5068652563786225
Energy: 1.4928202966451911
Energy: 1.5055686085950235
Energy: 1.5032381893901459
Energy: 1.505568608591218
Energy: 1.3232213805572388
Energy: 1.5068711270320203
Energy: 1.382342524793953
Energy: 1.5068711270307518
Energy: 1.5085676630335092
Energy: 1.5808142134128726
Energy: 1.3931631488570586
Energy: 1.580814213411604
Energy: 1.4136865471997535
Energy: 1.5904102808970864
Energy: 1.4100872208327253
Energy: 1.5904102808945493
Energy: 1.5081380088823992
Energy: 1.4991555122842477
Energy: 1.39276151643231
Energy: 1.499155512285516
Energy: 1.499875664789073
Energy: 1.6020956778007518
Energy: 1.4275194650063072
Energy: 1.6020956778045574
Energy: 1.438222978634631
Energy: 1.5063370039815136
Energy: 1.3778524335187832
Energy: 1.5063370039802448
Energy: 1.4993082427425422
Energy: 1.3930037860054723
Energy: 1.3937875907370811
Energy: 1.3930037860029352

minimum gb energy = 1.323220611234913 eV
minimum distance =  2.28718625920963 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 1.4429857613309778
Energy: 1.781158075134994
Energy: 1.650422961683214
Energy: 1.781158075134994
Energy: 1.4085548565276873
Energy: 1.6109896855466452
Energy: 1.3791431425143181
Energy: 1.6109896855450765
Energy: 1.3791532403816025
Energy: 1.742640200797259
Energy: 1.3790347679908246
Energy: 1.7426402007956905
Energy: 1.441686677859815
Energy: 1.6005568541917992
Energy: 1.549815729455289
Energy: 1.600556854193368
Energy: 1.5488171983920165
Energy: 1.4073549128391083
Energy: 1.5015632605913503
Energy: 1.4073549128391083
Energy: 1.379328491709777
Energy: 1.6473807700864167
Energy: 1.3793303613457197
Energy: 1.6473807700879852
Energy: 1.4486766244547171
Energy: 1.6025672813442666
Energy: 1.3786042758568915
Energy: 1.6025672813442666
Energy: 1.5308663312945778
Energy: 1.6113010483883625
Energy: 1.442932427701583
Energy: 1.6113010483883625
Energy: 1.379126059721248
Energy: 1.5155208547408598
Energy: 1.4094342455872795
Energy: 1.5155208547424286
Energy: 1.6146191257713616
Energy: 1.648427879455724
Energy: 1.3788488574294329
Energy: 1.648427879455724
Energy: 1.4954930896913476
Energy: 1.7060725747179124
Energy: 1.6953968505042702
Energy: 1.7060725747179124
Energy: 1.3786138874337872
Energy: 1.5446377967595337
Energy: 1.6172400526328499
Energy: 1.5446377967595337
Energy: 1.5230644458327156
Energy: 1.5185590356593544
Energy: 1.378921719352338
Energy: 1.5185590356593544
Energy: 1.3785842442638685
Energy: 1.489492832428147
Energy: 1.4415985438211492
Energy: 1.489492832428147
Energy: 1.5174504966561377
Energy: 1.6099838373327369
Energy: 1.5311835873011284
Energy: 1.6099838373327369
Energy: 1.4077787832832012
Energy: 1.5472360575427164
Energy: 1.3790959190036007
Energy: 1.5472360575427164
Energy: 1.3786288171410515
Energy: 1.526971136195974
Energy: 1.615698320438062
Energy: 1.526971136195974

minimum gb energy = 1.3785842442638685 eV
minimum distance =  2.26927999445658 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 1.5738142085469566
Energy: 1.572022080840568
Energy: 1.7649776699028492
Energy: 1.5720220808396799
Energy: 1.610930900597546
Energy: 1.53342793826241
Energy: 1.426798422667704
Energy: 1.53342793826241
Energy: 1.5843309579406337
Energy: 1.555690790876545
Energy: 1.4262863108026844
Energy: 1.555690790876545
Energy: 1.4286604123461732
Energy: 1.692814848317925
Energy: 1.531768265439519
Energy: 1.692814848319702
Energy: 1.6380247668719299
Energy: 1.5380486501567832
Energy: 1.5168753843820888
Energy: 1.5380486501550061
Energy: 1.4549031994325936
Energy: 1.5837456659056173
Energy: 1.5684674326035597
Energy: 1.583745665906506
Energy: 1.4286474164282639
Energy: 1.597966775874223
Energy: 1.514072886589212
Energy: 1.5979667758751113
Energy: 1.5676675331533991
Energy: 1.5835452560080308
Energy: 1.4526730141930992
Energy: 1.5835452560071424
Energy: 1.4536246099551302
Energy: 1.596294102304538
Energy: 1.6219567039278824
Energy: 1.596294102302761
Energy: 1.7206875096101844
Energy: 1.5521783121995587
Energy: 1.427616467525374
Energy: 1.5521783121995587
Energy: 1.4328605538754755
Energy: 1.5989672777396955
Energy: 1.5869642121397716
Energy: 1.5989672777388073
Energy: 1.4533996759982748
Energy: 1.5952226576825765
Energy: 1.4525209957133944
Energy: 1.5952226576816881
Energy: 1.7131635931588547
Energy: 1.572517508958367
Energy: 1.57569008175593
Energy: 1.572517508957478
Energy: 1.4267091904252203
Energy: 1.6148897446673958
Energy: 1.6133065488653962
Energy: 1.6148897446673958
Energy: 1.557360465052903
Energy: 1.59481475769432
Energy: 1.4558281705567437
Energy: 1.5948147576952088
Energy: 1.5844930348801927
Energy: 1.5832414592340178
Energy: 1.5680285500852214
Energy: 1.5832414592340178
Energy: 1.5143520145298666
Energy: 1.6457229622126441
Energy: 1.7273223786271659
Energy: 1.6457229622144212
Energy: 1.5598066254064118
Energy: 1.555453702765719
Energy: 1.4547235609173546
Energy: 1.5554537027648307
Energy: 1.5009169368884383
Energy: 1.6497269541846875
Energy: 1.5063504771765979
Energy: 1.6497269541846875
Energy: 1.5160046945607093
Energy: 1.6920538300468762
Energy: 1.4292398102141992
Energy: 1.6920538300468762
Energy: 1.4982480211841063
Energy: 1.5814841564280435
Energy: 1.5841044293113073
Energy: 1.5814841564289324
Energy: 1.5138860738177395
Energy: 1.6839101329829553
Energy: 1.7202292280010776
Energy: 1.6839101329829553
Energy: 1.5893461813632404
Energy: 1.5999324191344677
Energy: 1.4265254531976883
Energy: 1.5999324191326907
Energy: 1.5385213417733832
Energy: 1.597180728659039
Energy: 1.5981390257978252
Energy: 1.5971807286581503
Energy: 1.5383337327437934
Energy: 1.5551641830437994
Energy: 1.5968157100979183
Energy: 1.5551641830437994
Energy: 1.6704821480178476
Energy: 1.5955507249848275
Energy: 1.4281665072691556
Energy: 1.5955507249830505
Energy: 1.5163660161996653
Energy: 1.6197292166561665
Energy: 1.7670088106527453
Energy: 1.6197292166561665
Energy: 1.5674361589031978
Energy: 1.5831909808555202
Energy: 1.585606085252999
Energy: 1.5831909808564089
Energy: 1.7269289233841296
Energy: 1.6919741021959516
Energy: 1.4290129862906493
Energy: 1.6919741021959516
Energy: 1.4522520195453361
Energy: 1.6478463780748687
Energy: 1.6987664779724456
Energy: 1.6478463780757573

minimum gb energy = 1.4262863108026844 eV
minimum distance =  2.13987697616923 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 1.377400135745029
Energy: 1.3768125491707937
Energy: 1.7955133408575976
Energy: 1.376812549168748
Energy: 1.6417384600258498
Energy: 1.5473550102550495
Energy: 1.5264102026357198
Energy: 1.5473550102570948
Energy: 1.406173737278509
Energy: 1.3768215598932836
Energy: 1.380867535303895
Energy: 1.3768215598912381
Energy: 1.406114246742039
Energy: 1.376803891154187
Energy: 1.5240638492604313
Energy: 1.376803891154187
Energy: 1.64178107572696
Energy: 1.5491752497791342
Energy: 1.4980617404827234
Energy: 1.54917524978118
Energy: 1.377400135745029
Energy: 1.376812549172839
Energy: 1.735073917350051
Energy: 1.3768125491707937
Energy: 1.641738460027895
Energy: 1.5473550102550495
Energy: 1.5772837653246379
Energy: 1.5473550102570948
Energy: 1.4061737398914318
Energy: 1.3768215598932836
Energy: 1.4978546912059887
Energy: 1.3768215598912381
Energy: 1.406114268119779
Energy: 1.3768038911521414
Energy: 1.5240638492624767
Energy: 1.376803891154187
Energy: 1.64178107572696
Energy: 1.5491752497791342
Energy: 1.6452800178473008
Energy: 1.5491752497791342
Energy: 1.377400135745029
Energy: 1.3768125491707937
Energy: 1.7955133408616886
Energy: 1.376812549168748
Energy: 1.641738460023804
Energy: 1.5473550102550495
Energy: 1.5772837653266836
Energy: 1.5473550102570948
Energy: 1.4061737462949446
Energy: 1.3768215598932836
Energy: 1.5770611201080518
Energy: 1.3768215598912381

minimum gb energy = 1.3768038911521414 eV
minimum distance =  2.24881208871214 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 1.4958327063225711
Energy: 1.6573953508503576
Energy: 1.8304731612243594
Energy: 1.6573953508503576
Energy: 1.7358648424723517
Energy: 1.573087664562358
Energy: 1.5066242566213566
Energy: 1.5730876645608438
Energy: 1.4888489028583396
Energy: 1.4755195675646997
Energy: 1.482808173508761
Energy: 1.4755195675654569
Energy: 1.6284370886830235
Energy: 1.7333995030194678
Energy: 1.5056712164881763
Energy: 1.7333995030194678
Energy: 1.6523007164002288
Energy: 1.565296129479003
Energy: 1.50600931823806
Energy: 1.565296129478246
Energy: 1.475793299091779
Energy: 1.4745026803799974
Energy: 1.6205842722478792
Energy: 1.4745026803807544
Energy: 1.8579549724105182
Energy: 1.5585935365806638
Energy: 1.507265065412876
Energy: 1.55859353657915
Energy: 1.5064648652751378
Energy: 1.7378149200196555
Energy: 1.6523322439460284
Energy: 1.7378149200188984
Energy: 1.4925804908389002
Energy: 1.748137767261187
Energy: 1.474378145585461
Energy: 1.748137767261187
Energy: 1.4974445342768654
Energy: 1.5707778512583528
Energy: 1.5084840118875371
Energy: 1.5707778512575956
Energy: 1.5090440812295922
Energy: 1.7333016756072888
Energy: 1.805923804863727
Energy: 1.7333016756057749
Energy: 1.6770540983178912
Energy: 1.6812462762617004
Energy: 1.4979635701719396
Energy: 1.6812462762624572
Energy: 1.4923445927446888
Energy: 1.5741858384387817
Energy: 1.7511815941572149
Energy: 1.5741858384372678
Energy: 1.633157284791241
Energy: 1.657341928641109
Energy: 1.4932728787288498
Energy: 1.6573419286403521
Energy: 1.510971853666682
Energy: 1.6667772191423407
Energy: 1.6620223984562565
Energy: 1.6667772191438548
Energy: 1.496595484843857
Energy: 1.7462839144276066
Energy: 1.626260589505571
Energy: 1.7462839144306348
Energy: 1.5932894221821374
Energy: 1.6666228578990891
Energy: 1.51093831768998
Energy: 1.6666228579006035
Energy: 1.5130454578855321
Energy: 1.5584491867585897
Energy: 1.6965635208593233
Energy: 1.5584491867601036
Energy: 1.6871755394857861
Energy: 1.5724530789589453
Energy: 1.4788941088113714
Energy: 1.572453078958188
Energy: 1.4963604901872158
Energy: 1.5925055394777645
Energy: 1.6180825293698131
Energy: 1.5925055394792784
Energy: 1.6274504800100749
Energy: 1.7315991728684397
Energy: 1.6312545105893832
Energy: 1.7315991728699536
Energy: 1.6170402588276338
Energy: 1.659031860950451
Energy: 1.503031582959666
Energy: 1.659031860950451
Energy: 1.4744297778519972
Energy: 1.650231079164343
Energy: 1.4925429298898583
Energy: 1.6502310791628287
Energy: 1.839187682103845
Energy: 1.5811163419708696
Energy: 1.505908437763565
Energy: 1.5811163419708696
Energy: 1.5070315516996093
Energy: 1.6965953954482615
Energy: 1.7800445903004682
Energy: 1.6965953954505328
Energy: 1.556452528292124
Energy: 1.475269541472497
Energy: 1.4893333145529735
Energy: 1.4752695414717398
Energy: 1.6597758341204591
Energy: 1.6724765463255067
Energy: 1.6274449309045824
Energy: 1.672476546326952
Energy: 1.4938810879801616
Energy: 1.7349882622479686
Energy: 1.6281086812301273
Energy: 1.7349882622479686
Energy: 1.5474562127805793
Energy: 1.474755444230218
Energy: 1.488279011596489
Energy: 1.474755444231732
Energy: 1.506721255311438
Energy: 1.6968578842417417
Energy: 1.7794937694790836
Energy: 1.6968578842424986
Energy: 1.7429651207916619
Energy: 1.5805006343101866
Energy: 1.5044635942714017
Energy: 1.5805006343101866
Energy: 1.4748605912754462
Energy: 1.5602741909899598
Energy: 1.489459459789674
Energy: 1.5602741909907172
Energy: 1.507686977322661
Energy: 1.6543380582505756
Energy: 1.48907335336078
Energy: 1.6543380582505756
Energy: 1.6273111271648595
Energy: 1.7326615604438904
Energy: 1.6280968011758135
Energy: 1.7326615604423765
Energy: 1.5132587586267077
Energy: 1.7260689055054044
Energy: 1.859880827491654
Energy: 1.7260689055061615

minimum gb energy = 1.474378145585461 eV
minimum distance =  2.1823570856772 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 1.5666888501473983
Energy: 1.5659565017056878
Energy: 1.7663762266085978
Energy: 1.5659565017056878
Energy: 1.6170243734791212
Energy: 1.6234510234804964
Energy: 1.5284894687367034
Energy: 1.623451023482899
Energy: 1.5268362842704575
Energy: 1.564883362735286
Energy: 1.481920465021324
Energy: 1.564883362735286
Energy: 1.498935577291775
Energy: 1.6914203033935584
Energy: 1.5714445017473464
Energy: 1.6914203033935584
Energy: 1.5742288230833692
Energy: 1.6294721494416702
Energy: 1.5348714966158465
Energy: 1.6294721494416702
Energy: 1.5400240411130246
Energy: 1.516827211685193
Energy: 1.698287700137961
Energy: 1.516827211685193
Energy: 1.857203403315473
Energy: 1.6975839967046482
Energy: 1.5299117976697247
Energy: 1.6975839967034472
Energy: 1.4951024600513283
Energy: 1.4736641802162254
Energy: 1.729505948695106
Energy: 1.4736641802162254
Energy: 1.7709766203092632
Energy: 1.4743995772490595
Energy: 1.4736193011324032
Energy: 1.474399577250261
Energy: 1.5271340306041385
Energy: 1.6394793592831112
Energy: 1.527317825914749
Energy: 1.6394793592843124
Energy: 1.4922141206421413
Energy: 1.564112224495721
Energy: 1.7145527730690007
Energy: 1.5641122244981236
Energy: 1.657474474351557
Energy: 1.6915181962788857
Energy: 1.496674871719665
Energy: 1.6915181962776844
Energy: 1.5381902546688002
Energy: 1.589357991614967
Energy: 1.7219625750783305
Energy: 1.589357991614967
Energy: 1.7427603084855368
Energy: 1.6763324719451604
Energy: 1.5377512924755214
Energy: 1.6763324719463615
Energy: 1.4871334804603986
Energy: 1.74355291383453
Energy: 1.709694681319534
Energy: 1.7435529138333288
Energy: 1.7205115390268875
Energy: 1.4739684554305403
Energy: 1.495547647013013
Energy: 1.473968455428138
Energy: 1.5649072514933073
Energy: 1.5658728824482395
Energy: 1.5268428843788893
Energy: 1.5658728824494406
Energy: 1.5659398421401334
Energy: 1.5654707361153843
Energy: 1.5374616963792629
Energy: 1.565470736114183
Energy: 1.5012176956114482
Energy: 1.473637956988108
Energy: 1.4924664369023741
Energy: 1.473637956988108
Energy: 1.5281663228211706
Energy: 1.6366196119700018
Energy: 1.7793078268394356
Energy: 1.6366196119675995
Energy: 1.7165114572860338
Energy: 1.5854919186343013
Energy: 1.5391054738047714
Energy: 1.5854919186343013
Energy: 1.5722979505932801
Energy: 1.630083042760587
Energy: 1.6669944455143677
Energy: 1.630083042760587

minimum gb energy = 1.4736193011324032 eV
minimum distance =  2.20832628950304 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 1.5002834102267728
Energy: 1.4996322882246866
Energy: 1.843019375454347
Energy: 1.4996322882238373
Energy: 1.8276193294526661
Energy: 1.5558859170811066
Energy: 1.5283632537965206
Energy: 1.5558859170743118
Energy: 1.49359962503157
Energy: 1.6986738252806597
Energy: 1.4909471330601016
Energy: 1.698673825276413
Energy: 1.5503785824051486
Energy: 1.6047906111123043
Energy: 1.5447798997817872
Energy: 1.6047906111131534
Energy: 1.5093061163922077
Energy: 1.594874757402792
Energy: 1.496223891650253
Energy: 1.5948747574053403
Energy: 1.498190687551942
Energy: 1.6192255200813728
Energy: 1.7400634511561819
Energy: 1.6192255200830714
Energy: 1.6711442340674623
Energy: 1.6973479665232654
Energy: 1.5545781140909536
Energy: 1.6973479665173201
Energy: 1.4981026945740596
Energy: 1.500761508571113
Energy: 1.8025488569610177
Energy: 1.5007615085694146
Energy: 1.6724486237558274
Energy: 1.5882472988000693
Energy: 1.5188256093380135
Energy: 1.5882472987924254
Energy: 1.5099739052402288
Energy: 1.605258682564914
Energy: 1.6191289188729785
Energy: 1.6052586825632154
Energy: 1.535037619693296
Energy: 1.7028205100463003
Energy: 1.5652515859535798
Energy: 1.7028205100429028
Energy: 1.500888806394104
Energy: 1.5924741344695597
Energy: 1.563090954473626
Energy: 1.5924741344712583
Energy: 1.499738684790757
Energy: 1.501431814220574
Energy: 1.5652363685398964
Energy: 1.501431814228218
Energy: 1.5236942522517105
Energy: 1.4901048530409198
Energy: 1.5609804443352822
Energy: 1.4901048530366732
Energy: 1.5070735458089122
Energy: 1.727382705149155
Energy: 1.7191716473995238
Energy: 1.7273827051551
Energy: 1.8409561248175046
Energy: 1.4894090219121976
Energy: 1.5146414077597075
Energy: 1.489409021907102
Energy: 1.5307058320306017
Energy: 1.6206143134329278
Energy: 1.7182002340032205
Energy: 1.6206143134346265
Energy: 1.4975810158926912
Energy: 1.698503420541387
Energy: 1.5625401557650225
Energy: 1.6985034205422362
Energy: 1.4933727554020033
Energy: 1.6200327193327884
Energy: 1.56433931755726
Energy: 1.6200327193327884
Energy: 1.5095854628703673
Energy: 1.5930574593192566
Energy: 1.539101222722618
Energy: 1.5930574593167086
Energy: 1.5463441107387952
Energy: 1.7077964272903048
Energy: 1.5185061910523712
Energy: 1.707796427291154
Energy: 1.5113478551990414
Energy: 1.6987626613445725
Energy: 1.6447254338289876
Energy: 1.6987626613488194
Energy: 1.7789738056242863
Energy: 1.5905440836954028
Energy: 1.5696325430608122
Energy: 1.5905440836996494
Energy: 1.5056589100637274
Energy: 1.5006784214665474
Energy: 1.7447372351664676
Energy: 1.50067842146315
Energy: 1.586182852433965
Energy: 1.5926060785790892
Energy: 1.5134925843553189
Energy: 1.5926060785773906
Energy: 1.5501916820163522
Energy: 1.7012584324697122
Energy: 1.5374600066552147
Energy: 1.7012584324697122
Energy: 1.5102318307319111
Energy: 1.6051007386466365
Energy: 1.511719556944728
Energy: 1.6051007386474858
Energy: 1.5502990511222658
Energy: 1.6191373185539182
Energy: 1.5442415164213377
Energy: 1.619137318558165
Energy: 1.4927751516364054
Energy: 1.5005422385399951
Energy: 1.637845416468453
Energy: 1.5005422385425042
Energy: 1.6854543990461697
Energy: 1.5548276265545253
Energy: 1.5282330455081496
Energy: 1.554827626551128
Energy: 1.492775774844427
Energy: 1.5007101038026163
Energy: 1.7564244888714005
Energy: 1.5007101038026163

minimum gb energy = 1.489409021907102 eV
minimum distance =  2.19780333043676 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 1.4319447990292702
Energy: 1.4277276553893423
Energy: 1.5888340633848397
Energy: 1.427727655389901
Energy: 1.4364950355036874
Energy: 1.4330845051110888
Energy: 1.5013167360636064
Energy: 1.4330845051102343
Energy: 1.4893534731903018
Energy: 1.5025686961345932
Energy: 1.3845764816551793
Energy: 1.5025686961345932
Energy: 1.4299293401661377
Energy: 1.3863046088975388
Energy: 1.3803473681486447
Energy: 1.3863046088960924
Energy: 1.4320135781763275
Energy: 1.4839838881064487
Energy: 1.6400019800680798
Energy: 1.4839838881061527
Energy: 1.4892051795395411
Energy: 1.5037182223563528
Energy: 1.489039959356151
Energy: 1.5037182223569443
Energy: 1.4890814685850329
Energy: 1.4839567103450202
Energy: 1.4320199574142547
Energy: 1.4839567103461708
Energy: 1.3805322963353828
Energy: 1.3863217060259065
Energy: 1.4299253034771575
Energy: 1.3863217060253474
Energy: 1.3852481741129725
Energy: 1.5025591136541894
Energy: 1.5333811791237257
Energy: 1.5025591136550769

minimum gb energy = 1.3803473681486447 eV
minimum distance =  2.26247096959853 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 1.403350731500572
Energy: 1.4047587271409459
Energy: 1.6485201365769442
Energy: 1.4047587271417479
Energy: 1.6102363943186562
Energy: 1.48777694080109
Energy: 1.3792587356893293
Energy: 1.4877769407994854
Energy: 1.372298647436698
Energy: 1.3961258321950196
Energy: 1.6332908024019133
Energy: 1.3961258321958219
Energy: 1.3862743211771338
Energy: 1.4806617300347775
Energy: 1.3797751800065277
Energy: 1.4806617300371845
Energy: 1.383042793618699
Energy: 1.4861308179495483
Energy: 1.5896671169398455
Energy: 1.4861308179503507
Energy: 1.4734061022464824
Energy: 1.4066151000230618
Energy: 1.3627868350192838
Energy: 1.406615100026271
Energy: 1.362551085498966
Energy: 1.4840326983827596
Energy: 1.3628368050829214
Energy: 1.4840326983819574
Energy: 1.3700209656790148
Energy: 1.4078475783674922
Energy: 1.3845597872220308
Energy: 1.4078475783650852
Energy: 1.3832079240636677
Energy: 1.4837913885475178
Energy: 1.387861500831199
Energy: 1.48379138854832
Energy: 1.3756595365549205
Energy: 1.4847816521673793
Energy: 1.3664039024800718
Energy: 1.4847816521681816
Energy: 1.4027776482912238
Energy: 1.4076789196208326
Energy: 1.3746763141192022
Energy: 1.4076789196208326
Energy: 1.3734704334465602
Energy: 1.4899798302456941
Energy: 1.405703441864757
Energy: 1.4899798302432872
Energy: 1.472584770455485
Energy: 1.4062174824160505
Energy: 1.4094524919369176
Energy: 1.4062174824152482
Energy: 1.3947529784598731
Energy: 1.4059754281211028
Energy: 1.4249216854383564
Energy: 1.4059754281194983
Energy: 1.6783852505608268
Energy: 1.4831496393208028
Energy: 1.374671690589722
Energy: 1.4831496393191983
Energy: 1.377808481895887
Energy: 1.3961592949712505
Energy: 1.401327587832802
Energy: 1.3961592949720527
Energy: 1.5887638357536278
Energy: 1.390948565328997
Energy: 1.3907595320510049
Energy: 1.390948565328997
Energy: 1.3824349710690165
Energy: 1.4058035543574885
Energy: 1.5904526734018762
Energy: 1.4058035543574885
Energy: 1.3670541090682555
Energy: 1.4875227017883532
Energy: 1.364273269970964
Energy: 1.487522701786019
Energy: 1.3720193037093713
Energy: 1.484804723842314
Energy: 1.3833215474370415
Energy: 1.4848047238399071
Energy: 1.3851478170557037
Energy: 1.4765795970112083
Energy: 1.375511712427031
Energy: 1.4765795970120108
Energy: 1.3837348834642664
Energy: 1.4844725804077143
Energy: 1.372092968421108
Energy: 1.4844725804101213
Energy: 1.3738142750158373
Energy: 1.4072991367565733
Energy: 1.3674474046029237
Energy: 1.407299136757303
Energy: 1.4046221403300647
Energy: 1.417930522910346
Energy: 1.3725232744241331
Energy: 1.4179305229095438
Energy: 1.4044364616726221
Energy: 1.4010196366180339
Energy: 1.3740020159452253
Energy: 1.4010196366188363
Energy: 1.3917075735409745
Energy: 1.4055762021190459
Energy: 1.3841352172571944
Energy: 1.4055762021174412
Energy: 1.3753700956733312
Energy: 1.472616878030945
Energy: 1.4564743971660692
Energy: 1.472616878028538
Energy: 1.4236798095605412
Energy: 1.4880839015660157
Energy: 1.3778649778605492
Energy: 1.488083901566818
Energy: 1.3746784824429878
Energy: 1.486250724838069
Energy: 1.8270779794248773
Energy: 1.4862507248388712
Energy: 1.585450942220827
Energy: 1.4053137164207334
Energy: 1.382499358968086
Energy: 1.405313716422338
Energy: 1.3711276215640453
Energy: 1.3837230819587156
Energy: 1.5829348885529455
Energy: 1.3837230819595179
Energy: 1.5905437833730527
Energy: 1.463443184115994
Energy: 1.3736114990608417
Energy: 1.4634431841127848
Energy: 1.3810955430957292
Energy: 1.4816133215969807
Energy: 1.3849226019249812
Energy: 1.481613321597783

minimum gb energy = 1.362551085498966 eV
minimum distance =  2.20499613924905 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 1.3472860810615883
Energy: 1.3467823535910624
Energy: 1.3799895157761455
Energy: 1.3467823535943901
Energy: 1.4185331124061997
Energy: 1.3730343527508073
Energy: 1.3352311071576206
Energy: 1.3730343527519162
Energy: 1.3036984342664615
Energy: 1.3469102463051599
Energy: 1.8039389865003284
Energy: 1.3469102463040503
Energy: 1.4021026780295442
Energy: 1.447215417273585
Energy: 1.3184447241944373
Energy: 1.4472154172724754
Energy: 1.3039878718047628
Energy: 1.47950077207891
Energy: 1.5824082263864965
Energy: 1.47950077207891
Energy: 1.3050074277607877
Energy: 1.3504962064613102
Energy: 1.3181878562942773
Energy: 1.3504962064624197
Energy: 1.3040233862118609
Energy: 1.4799940636542783
Energy: 1.3366594915221512
Energy: 1.4799940636553874
Energy: 1.2988489915906076
Energy: 1.3509145606206872
Energy: 1.3647555920398378
Energy: 1.3509145606195778
Energy: 1.346252809188779
Energy: 1.3529280404201425
Energy: 1.333253430772943
Energy: 1.3529280404212518
Energy: 1.3462333872751762
Energy: 1.352952743959634
Energy: 1.365148557552455
Energy: 1.352952743959634
Energy: 1.2986890319388007
Energy: 1.3511116716954696
Energy: 1.3336396800988746
Energy: 1.351111671693251
Energy: 1.2994430753994264
Energy: 1.4799568819663464
Energy: 1.338240477839103
Energy: 1.4799568819663464
Energy: 1.3048050758287406
Energy: 1.3504299024859825
Energy: 1.3181860537366177
Energy: 1.350429902481545
Energy: 1.3041989203418236
Energy: 1.4795118013207715
Energy: 1.4913059523025243
Energy: 1.4795118013218806
Energy: 1.4022722013512534
Energy: 1.447221102470305
Energy: 1.3181696849402662
Energy: 1.4472211024725234
Energy: 1.3037008796469562
Energy: 1.3468625621214085
Energy: 1.6856543726521989
Energy: 1.3468625621225179
Energy: 1.418697345486534
Energy: 1.3730190548881787
Energy: 1.335265552797612
Energy: 1.3730190548837413
Energy: 1.3472860810604792
Energy: 1.3467823535910624
Energy: 1.5757777773089714
Energy: 1.3467823535943901
Energy: 1.4185331124073088
Energy: 1.3730343527519162
Energy: 1.3352311071576206
Energy: 1.3730343527519162
Energy: 1.3036984342675708
Energy: 1.3469102463062692
Energy: 1.8039389865003284
Energy: 1.3469102463051599
Energy: 1.4021026780284351
Energy: 1.4472154172724754
Energy: 1.3184447241922188
Energy: 1.4472154172724754
Energy: 1.3039878718058722
Energy: 1.47950077207891
Energy: 1.5824082263864965
Energy: 1.479500772080019
Energy: 1.3050074277574597
Energy: 1.3504962064602009
Energy: 1.3181878562942773
Energy: 1.3504962064624197
Energy: 1.3040233862129704
Energy: 1.4799940636542783
Energy: 1.3200498446264524
Energy: 1.4799940636553874

minimum gb energy = 1.2986890319388007 eV
minimum distance =  2.22443125622488 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 1.335734945300493
Energy: 1.3355357448684928
Energy: 1.6417787159267097
Energy: 1.335535744869864
Energy: 1.548518617022718
Energy: 1.3251708697504678
Energy: 1.3096673780877404
Energy: 1.3251708697490965
Energy: 1.305896391033101
Energy: 1.3194121240897634
Energy: 1.596582478632037
Energy: 1.319412124088392
Energy: 1.3984021887080458
Energy: 1.295849422427601
Energy: 1.303953256990084
Energy: 1.2958494224303436
Energy: 1.2954615164226555
Energy: 1.4220510892211686
Energy: 1.6348196822661702
Energy: 1.4220510892204832
Energy: 1.2953276300833965
Energy: 1.3141156402183571
Energy: 1.3214971089130951
Energy: 1.3141156402210994
Energy: 1.3297407414279185
Energy: 1.4015752677111801
Energy: 1.3196794707146733
Energy: 1.4015752677132371
Energy: 1.29107825292986
Energy: 1.597565465534811
Energy: 1.2986580440978366
Energy: 1.597565465534811
Energy: 1.3331056816738425
Energy: 1.6027995902505057
Energy: 1.3669190930022563
Energy: 1.602799590249134
Energy: 1.319852671467342
Energy: 1.4006870108764011
Energy: 1.3065502839121546
Energy: 1.4006870108777725
Energy: 1.3101078283613874
Energy: 1.3750770559463916
Energy: 1.301068798229537
Energy: 1.3750770559463916
Energy: 1.2973463939820826
Energy: 1.399967602062058
Energy: 1.2884780278440124
Energy: 1.399967602062058
Energy: 1.2928716692871394
Energy: 1.3881028890305662
Energy: 1.3081152871317248
Energy: 1.3881028890333087
Energy: 1.316046530347393
Energy: 1.4214253873258336
Energy: 1.3345179045824838
Energy: 1.4214253873265192
Energy: 1.2978786646231735
Energy: 1.3061697561153605
Energy: 1.346743026336928
Energy: 1.30616975612016
Energy: 1.3114695285271982
Energy: 1.3203973423448805
Energy: 1.6245333767410963
Energy: 1.3203973423448805
Energy: 1.3049569615781451
Energy: 1.3042704085078005
Energy: 1.307335743692118
Energy: 1.3042704085071148
Energy: 1.2984294719075193
Energy: 1.456853114762654
Energy: 1.3548208148769847
Energy: 1.4568531147612829
Energy: 1.4883437382062135
Energy: 1.4028725508326232
Energy: 1.309165661417657
Energy: 1.4028725508298807
Energy: 1.3160859456177207
Energy: 1.3200562461955234
Energy: 1.515342561340898
Energy: 1.3200562461948377
Energy: 1.5427851858380823
Energy: 1.3154275380722833
Energy: 1.3275136888904309
Energy: 1.315427538069541
Energy: 1.3281281783216465
Energy: 1.4574312138133036
Energy: 1.3566388726956276
Energy: 1.4574312138152983
Energy: 1.4894145771509473
Energy: 1.3121294628610283
Energy: 1.3179792236008856
Energy: 1.3121294628630855
Energy: 1.308795725024495
Energy: 1.4033725451630392
Energy: 1.4944947649977267
Energy: 1.4033725451637247
Energy: 1.379228658845124
Energy: 1.3360814581256213
Energy: 1.3008074325513739
Energy: 1.3360814581256213
Energy: 1.3112101425363172
Energy: 1.4248042470476798
Energy: 1.3039033394795145
Energy: 1.4248042470476798
Energy: 1.480852854907421
Energy: 1.3910103399247264
Energy: 1.3033998953854589
Energy: 1.3910103399233553
Energy: 1.3448697478033866
Energy: 1.4801134297399003
Energy: 1.3041938118726735
Energy: 1.480113429740586
Energy: 1.334298165725004
Energy: 1.420945410195917
Energy: 1.3210551942916449
Energy: 1.4209454101966024
Energy: 1.3237110336876632
Energy: 1.3911945073822138
Energy: 1.3363298499978242
Energy: 1.3911945073849565
Energy: 1.3036067949040389
Energy: 1.4208357949969226
Energy: 1.309588741554618
Energy: 1.420835794997608
Energy: 1.3050584918213484
Energy: 1.3712974793258192
Energy: 1.3072034497581453
Energy: 1.3712974793251336
Energy: 1.3034590851207033
Energy: 1.401194292890715
Energy: 1.5049400323966706
Energy: 1.401194292890715
Energy: 1.3670090355207307
Energy: 1.501762105213631
Energy: 1.3226111850151205
Energy: 1.5017621052150025
Energy: 1.2978094746292872
Energy: 1.3368867191872968
Energy: 1.3408198632618475
Energy: 1.336886719172213
Energy: 1.320858572419225
Energy: 1.4040963632642036
Energy: 1.3273546943196242
Energy: 1.4040963632594043
Energy: 1.3179962966371985
Energy: 1.3143608099282644
Energy: 1.299277817211009
Energy: 1.3143608099289503
Energy: 1.354593051061942
Energy: 1.4243748340969005
Energy: 1.3122401777914094
Energy: 1.424374834094844

minimum gb energy = 1.2884780278440124 eV
minimum distance =  2.21464858186717 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 1.1850619160998606
Energy: 1.1850945257794043
Energy: 1.5210072385313065
Energy: 1.1850945257794043
Energy: 1.1850146643620472
Energy: 1.2250177246330467
Energy: 1.2039719150277526
Energy: 1.2250177246312528
Energy: 1.2010866132625886
Energy: 1.4090779153693336
Energy: 1.9639870437802063
Energy: 1.4090779153675395
Energy: 1.2129374133348263
Energy: 1.2251716495482667
Energy: 1.2037884582428793
Energy: 1.2251716495482667
Energy: 1.2003142234748874
Energy: 1.3113350255711742
Energy: 1.9038019280377905
Energy: 1.3113350255693805
Energy: 1.2003660860619825
Energy: 1.1861278282447705
Energy: 1.1889548104678944
Energy: 1.1861278282447705
Energy: 1.2015136157210957
Energy: 1.4087715694409397
Energy: 1.1847989418101752
Energy: 1.4087715694409397
Energy: 1.2019839024736327
Energy: 1.4084295814157741
Energy: 1.2039529492049819
Energy: 1.40842958141398
Energy: 1.200385494639216
Energy: 1.3117312266286305
Energy: 1.2125086344160676
Energy: 1.3117312266286305
Energy: 1.224568534432876
Energy: 1.310341213447605
Energy: 1.200312588376527
Energy: 1.310341213447605
Energy: 1.184476373854712
Energy: 1.2260542424363818
Energy: 1.2005886166504893
Energy: 1.2260542424363818
Energy: 1.1845086574029293
Energy: 1.4100303903605096
Energy: 1.2039528856940778
Energy: 1.4100303903587157
Energy: 1.2004107292278892
Energy: 1.1887670754366384
Energy: 1.199448189422926
Energy: 1.1887670754366384
Energy: 1.2003348807449539
Energy: 1.310931042822508
Energy: 1.2003803991287534
Energy: 1.310931042822508
Energy: 1.1838018213154164
Energy: 1.1888883059265396
Energy: 1.2004271110758251
Energy: 1.1888883059265396

minimum gb energy = 1.1838018213154164 eV
minimum distance =  2.23953379583561 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 1.1820383034956714
Energy: 1.1426934955808103
Energy: 1.340673763511535
Energy: 1.1426934955680275
Energy: 1.345414632165828
Energy: 1.1716969867406761
Energy: 1.131033460142459
Energy: 1.1716969867496994
Energy: 1.144410312644416
Energy: 1.1431368185376076
Energy: 1.3528075428256
Energy: 1.1431368185391113
Energy: 1.168799800216109
Energy: 1.1715025920269375
Energy: 1.1291137653002885
Energy: 1.1715025920209223
Energy: 1.1503842847283052
Energy: 1.234615563833422
Energy: 1.2066539118797182
Energy: 1.2346155638319183
Energy: 1.1573148718110204
Energy: 1.1716044620202104
Energy: 1.1537274523136032
Energy: 1.1716044620179549
Energy: 1.150104187913644
Energy: 1.238252300970553
Energy: 1.5838065769316212
Energy: 1.2382523009645374
Energy: 1.1191095261211779
Energy: 1.1724607186715696
Energy: 1.1538668313720013
Energy: 1.172460718658035
Energy: 1.1502117716591154
Energy: 1.2379807024802287
Energy: 1.422017587102949
Energy: 1.2379807024704539
Energy: 1.3572349208974106
Energy: 1.2597564470304228
Energy: 1.1295457173413361
Energy: 1.259756447025159
Energy: 1.1503107264759933
Energy: 1.2606410869694484
Energy: 1.1605773340281542
Energy: 1.2606410869679447
Energy: 1.498070296471709
Energy: 1.259480221012881
Energy: 1.1369555751321445
Energy: 1.259480221015889
Energy: 1.1941283986290179
Energy: 1.1604872659444991
Energy: 1.160305810360662
Energy: 1.1604872659444991
Energy: 1.5272389780161129
Energy: 1.2601654329163232
Energy: 1.1369547400429931
Energy: 1.2601654329185792
Energy: 1.1506096423384244
Energy: 1.1418444720928993
Energy: 1.1588979854784354
Energy: 1.141844472088388
Energy: 1.1326166144523
Energy: 1.2600795034929502
Energy: 1.1264787368766385
Energy: 1.2600795034974615
Energy: 1.145909129604692
Energy: 1.2270452973748915
Energy: 1.126573895241279
Energy: 1.227045297387674
Energy: 1.1642703873055944
Energy: 1.2338948405018353
Energy: 1.1499543533772194
Energy: 1.2338948404995798
Energy: 1.1460330626534083
Energy: 1.23509659450146
Energy: 1.1497107116413705
Energy: 1.2350965944961967
Energy: 1.1460754419975783
Energy: 1.234767230278571
Energy: 1.1497545324863607
Energy: 1.2347672302710517
Energy: 1.1642699838965431
Energy: 1.2338904467968212
Energy: 1.1499027572224767
Energy: 1.2338904467938137
Energy: 1.1458368608308465
Energy: 1.227012380246245
Energy: 1.1265808466146652
Energy: 1.2270123802409818
Energy: 1.1323455741674266
Energy: 1.2600788719782872
Energy: 1.1264353316668883
Energy: 1.2600788719843024
Energy: 1.1504329984172554
Energy: 1.1419414767127367
Energy: 1.1671654137962137
Energy: 1.14194147670679
Energy: 1.5272268072546307
Energy: 1.260198847743848
Energy: 1.1372947562286582
Energy: 1.2601988477498633
Energy: 1.1893209033831986
Energy: 1.1606328485014386
Energy: 1.1668996397685314
Energy: 1.1606328485006867
Energy: 1.4980893137765092
Energy: 1.2596067801636495
Energy: 1.1370110648038183
Energy: 1.2596067801568822
Energy: 1.1500883966024409
Energy: 1.2606095853216928
Energy: 1.1594033623788642
Energy: 1.2606095853269563
Energy: 1.3577165340572384
Energy: 1.259693930581568
Energy: 1.1295293629144927
Energy: 1.2596939305680335
Energy: 1.150396179140499
Energy: 1.2377678026857932
Energy: 1.5037501655678658
Energy: 1.2377678026857932
Energy: 1.119068619870937
Energy: 1.1724965098151534
Energy: 1.1536436029931962
Energy: 1.1724965098023707
Energy: 1.150553837802361
Energy: 1.2383447109662673
Energy: 1.6735179244831009
Energy: 1.2383447109737868
Energy: 1.1571212004673208
Energy: 1.1715891736855604
Energy: 1.153712474281977
Energy: 1.171589173688568
Energy: 1.1504815954604302
Energy: 1.234436100932423
Energy: 1.198276211867302
Energy: 1.234436100939942
Energy: 1.1684895073718293
Energy: 1.1717049997575417
Energy: 1.1291556670144551
Energy: 1.1717049997628048

minimum gb energy = 1.119068619870937 eV
minimum distance =  2.2557627883436 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 1.2553884745838895
Energy: 1.2540936920637935
Energy: 1.3734190730775384
Energy: 1.254093692066381
Energy: 1.3156723189403556
Energy: 1.379935603251233
Energy: 1.0470298964708955
Energy: 1.379935603252527
Energy: 1.077950555378981
Energy: 1.4134605442226023
Energy: 1.4276585150545547
Energy: 1.4134605442226023
Energy: 1.191307248375163
Energy: 1.0854627851624978
Energy: 1.0518741587872116
Energy: 1.0854627851650558
Energy: 1.0515640371449628
Energy: 1.3793074773768657
Energy: 1.1417276679236608
Energy: 1.3793074773781593
Energy: 1.0715885486994456
Energy: 1.3792358877305104
Energy: 1.194087643035046
Energy: 1.3792358877292168
Energy: 1.0688857821542113
Energy: 1.7872864708649172
Energy: 1.521726005105842
Energy: 1.787286470863653
Energy: 1.0332991747544473
Energy: 1.0868686505862333
Energy: 1.0867429060291571
Energy: 1.0868686505888205
Energy: 1.0483377524504145
Energy: 1.3794052297913826
Energy: 1.354685506968867
Energy: 1.3794052297913826
Energy: 1.42866520664762
Energy: 1.3787610139126476
Energy: 1.1942267432756963
Energy: 1.3787610139126476
Energy: 1.0508545706683847
Energy: 1.546825741219304
Energy: 1.1916128047614538
Energy: 1.5468257412205977
Energy: 1.4170819661571388
Energy: 1.0855856890453761
Energy: 1.0519216779647234
Energy: 1.0855856890479636
Energy: 1.1912437410751664
Energy: 1.3791588067424327
Energy: 1.044940782567125
Energy: 1.37915880674502
Energy: 1.5220735991139893
Energy: 1.8239471430612115
Energy: 1.033271651374685
Energy: 1.8239471430612115
Energy: 1.2540024272431973
Energy: 1.283314388677274
Energy: 1.033071147306869
Energy: 1.2833143886785676
Energy: 1.2541602831502712
Energy: 1.378963132059359
Energy: 1.0469864957663784
Energy: 1.3789631320580653
Energy: 1.1913520058055793
Energy: 1.3791623186954314
Energy: 1.0467029742672291
Energy: 1.379162318696725
Energy: 1.1918015548045229
Energy: 1.547923240043711
Energy: 1.0506935438404794
Energy: 1.5479232400449756
Energy: 1.051067916841351
Energy: 1.087420760406803
Energy: 1.0507761361987797
Energy: 1.0874207604042156
Energy: 1.0507174170044895
Energy: 1.3789205948605532
Energy: 1.1914364663164998
Energy: 1.378920594857966

minimum gb energy = 1.033071147306869 eV
minimum distance =  2.16562865259649 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 1.009181566092899
Energy: 0.9486199972621131
Energy: 0.9478968222075189
Energy: 0.948619997261103
Energy: 1.4328292413124182
Energy: 0.9738947044680689
Energy: 0.9499465680807335
Energy: 0.9738947044680689
Energy: 0.9447800130458465
Energy: 0.944448215312196
Energy: 1.2579085421084266
Energy: 0.9444482153111858
Energy: 1.1838781570890953
Energy: 1.1976692040463226
Energy: 0.9498039159994071
Energy: 1.1976692040463226
Energy: 0.9518827516400657
Energy: 0.9735903347178572
Energy: 0.9143021655476617
Energy: 0.973590334716847
Energy: 0.9134952760135763
Energy: 1.19760173106801
Energy: 0.9498324287306832
Energy: 1.1976017310659897
Energy: 0.9521676169085773
Energy: 0.9444043758060156
Energy: 1.1852340900346345
Energy: 0.9444043758060156
Energy: 0.9193308881071058
Energy: 1.0099688916148062
Energy: 0.9466822172191015
Energy: 1.009968891613796
Energy: 0.9490738843427151
Energy: 0.9739923845907041
Energy: 1.375744304087962
Energy: 0.9739923845917143
Energy: 0.9180761224443293
Energy: 0.9455251879484077
Energy: 1.0109836680260995
Energy: 0.9455251879473974
Energy: 0.952096395244475
Energy: 0.9445140132713193
Energy: 1.415597408676913
Energy: 0.9445140132713193
Energy: 1.2318498181642865
Energy: 1.4870403875702154
Energy: 0.9467552517433414
Energy: 1.4870403875702154
Energy: 0.9516562208847914
Energy: 0.9737328813856545
Energy: 1.1655024146417454
Energy: 0.9737328813836341
Energy: 1.2274148926837414
Energy: 1.0529359196776649
Energy: 0.9500659734688776
Energy: 1.0529359196766546
Energy: 0.9522908563368445
Energy: 0.9443819021267066
Energy: 0.9132716421968976
Energy: 0.9443819021246862
Energy: 1.2139689977010106
Energy: 1.5762451558817867
Energy: 0.9500363741156584
Energy: 1.5762451558817867
Energy: 0.948955225196402
Energy: 1.010111350180914
Energy: 0.9252645035816861
Energy: 1.010111350181924
Energy: 1.199319308934895
Energy: 0.9738110456329102
Energy: 0.9502268723267953
Energy: 0.9738110456318999
Energy: 1.0116037958444053
Energy: 0.9451512161485456
Energy: 0.9192043761305302
Energy: 0.9451512161485456
Energy: 1.4149129216082346
Energy: 1.3319903577321879
Energy: 0.9500962385917732
Energy: 1.3319903577321879
Energy: 0.9490687398938636
Energy: 1.3538458329737162
Energy: 0.9195639337552964
Energy: 1.3538458329727059
Energy: 0.9443887997163602
Energy: 0.9739427964735328
Energy: 0.950000859356616
Energy: 0.973942796474543
Energy: 0.9523102197535748
Energy: 1.0513414810942725
Energy: 1.227999664007639
Energy: 1.0513414810942725
Energy: 0.9134314336435951
Energy: 1.6133520948445637
Energy: 0.9504549228699071
Energy: 1.6133520948445637
Energy: 0.9501307680621186
Energy: 1.3544157346363328
Energy: 1.2280512087307403
Energy: 1.354415734637343
Energy: 0.9182427555175919
Energy: 1.0103308619894031
Energy: 0.944228499384307
Energy: 1.0103308619904134

minimum gb energy = 0.9132716421968976 eV
minimum distance =  2.26268347764254 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 1.2535029373422746
Energy: 0.8856659184851459
Energy: 0.858500231432351
Energy: 0.8856659184843176
Energy: 1.5993781602384418
Energy: 0.8632346933885057
Energy: 0.8519609880434538
Energy: 0.8632346933909901
Energy: 0.8834858442757231
Energy: 0.8491484192074623
Energy: 1.1384693635508656
Energy: 0.8491484192066342
Energy: 1.2333358389041769
Energy: 0.8638596545987748
Energy: 0.851788092580936
Energy: 0.8638596545971184
Energy: 0.8463703509772945
Energy: 1.0888769353506418
Energy: 0.9007303130631299
Energy: 1.0888769353489853
Energy: 1.0520789504575134
Energy: 0.8643791243494557
Energy: 0.8517821145325005
Energy: 0.8643791243486276
Energy: 0.8507970938158881
Energy: 1.0527792264844553
Energy: 0.9028335468217292
Energy: 1.0527792264844553
Energy: 0.8288372822013699
Energy: 0.8835347454811205
Energy: 0.8475396521690117
Energy: 0.8835347454819488
Energy: 0.8546868619518723
Energy: 1.2221449283964232
Energy: 1.3792076093322192
Energy: 1.2221449283964232
Energy: 0.8279177260813672
Energy: 0.8491463955281155
Energy: 0.8847457006958326
Energy: 0.8491463955289436
Energy: 0.850795158233795
Energy: 0.8636521420169475
Energy: 1.4156020840912906
Energy: 0.8636521420169475
Energy: 0.8325772036909175
Energy: 0.8857835400540885
Energy: 1.2542691385037255
Energy: 0.8857835400549167
Energy: 0.8550006838124025
Energy: 1.2217036294000165
Energy: 1.5008174609516893
Energy: 1.2217036293991883
Energy: 1.0961129286109603
Energy: 1.220464899815747
Energy: 0.884801031165287
Energy: 1.220464899815747
Energy: 0.8508543495462998
Energy: 0.863529843023515
Energy: 1.2329288844108457
Energy: 0.8635298430243431
Energy: 1.093590467811118
Energy: 1.068674252043484
Energy: 0.8475136841271386
Energy: 1.068674252043484
Energy: 0.8549996486962851
Energy: 1.2191444835348542
Energy: 1.135526396378226
Energy: 1.2191444835365104
Energy: 1.0907414856307045
Energy: 1.2201638360268698
Energy: 0.8519753215001936
Energy: 1.2201638360293543
Energy: 0.8509099163317239
Energy: 0.8834364259767244
Energy: 0.8289283585224861
Energy: 0.8834364259767244
Energy: 1.100178259416947
Energy: 1.4053782108050454
Energy: 0.8546073540398409
Energy: 1.4053782108067017
Energy: 0.8880115087989885
Energy: 1.219065461118104
Energy: 0.8325274056163232
Energy: 1.219065461118104
Energy: 1.4160016612950879
Energy: 1.5388222421184747
Energy: 0.8520676740215212
Energy: 1.5388222421201312
Energy: 1.2566094160788894
Energy: 0.8831331379108874
Energy: 0.8324810454893964
Energy: 0.8831331379125438
Energy: 1.2541164736990786
Energy: 1.4038211264425005
Energy: 0.8546081552364357
Energy: 1.4038211264408442
Energy: 0.8879144225975706
Energy: 1.2196222338688947
Energy: 0.8349576896528205
Energy: 1.219622233869723
Energy: 1.2333107145115507
Energy: 1.5380947939992233
Energy: 0.8519099155641392
Energy: 1.5380947940000516
Energy: 0.8509087474067436
Energy: 0.8841290778930209
Energy: 1.0938792921641625
Energy: 0.8841290778938491
Energy: 0.8466335219327223
Energy: 1.2187350465083402
Energy: 0.8544316252468842
Energy: 1.2187350465091684
Energy: 0.855098629035489
Energy: 1.2198427607595739
Energy: 1.0907393567804526
Energy: 1.2198427607604019
Energy: 0.8287854291296358
Energy: 1.270386149567998
Energy: 0.8555822366560745
Energy: 1.2703861495655135
Energy: 0.8584585766922291
Energy: 0.88424405517379
Energy: 1.099928962854141
Energy: 0.8842440551746182
Energy: 0.8327856003299462
Energy: 1.2190644458123912
Energy: 0.8928173711117418
Energy: 1.2190644458132194

minimum gb energy = 0.8279177260813672 eV
minimum distance =  2.23838599839897 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 1.1394301106571105
Energy: 0.802817174198573
Energy: 1.0546403607065595
Energy: 0.8028171741978712
Energy: 1.4152050448540399
Energy: 0.8015002854718688
Energy: 0.8000464314976324
Energy: 0.8015002854704657
Energy: 0.8312499315779616
Energy: 0.7980660806604882
Energy: 1.0366711336427117
Energy: 0.7980660806583835
Energy: 1.2610149856196289
Energy: 0.8025236925273619
Energy: 0.7999891336099034
Energy: 0.8025236925245555
Energy: 0.7965707610156951
Energy: 1.383698358362784
Energy: 0.7640544709940356
Energy: 1.3836983583655902
Energy: 1.1024828387401922
Energy: 0.7998704374492702
Energy: 0.7998422667507995
Energy: 0.7998704374499717
Energy: 0.7990028726657449
Energy: 0.9688866670029428
Energy: 0.8226771644732127
Energy: 0.9688866670001366
Energy: 0.9529486349867311
Energy: 0.8147306160296202
Energy: 0.7997351868293937
Energy: 0.8147306160296202
Energy: 0.8019868740855105
Energy: 1.390755422236843
Energy: 1.2487072224471645
Energy: 1.3907554222382463
Energy: 0.7626727248622459
Energy: 0.7995983670537328
Energy: 0.7970517978313086
Energy: 0.7995983670544344
Energy: 0.7992881819555441
Energy: 0.80022438575141
Energy: 1.3169826468118104
Energy: 0.8002243857493052
Energy: 0.7629017562485376
Energy: 0.7981646856486574
Energy: 0.8320427361786066
Energy: 0.7981646856500605
Energy: 0.8020780765045061
Energy: 1.3900967788027132
Energy: 1.4075076174257193
Energy: 1.390096778806221
Energy: 0.766221566065348
Energy: 0.8033589803407644
Energy: 1.1400822747951078
Energy: 0.8033589803456754
Energy: 0.7992194203573685
Energy: 0.8015611966944746
Energy: 1.415233336365508
Energy: 0.8015611966986841
Energy: 0.9889673825033729
Energy: 0.7981237102155655
Energy: 0.8318655848574851
Energy: 0.798123710214864
Energy: 0.8019322805614604
Energy: 1.3895201232633874
Energy: 1.2609291616070193
Energy: 1.389520123262686
Energy: 0.9884265992093945
Energy: 1.3813512437551616
Energy: 0.7970784993460079
Energy: 1.3813512437565645
Energy: 0.7991967903944207
Energy: 0.799916751403216
Energy: 1.1019590153189893
Energy: 0.799916751403216
Energy: 0.986527885441693
Energy: 0.8000638401805792
Energy: 0.800001062351323
Energy: 0.800063840179176
Energy: 0.801930794547785
Energy: 1.1282476434715185
Energy: 0.9330648786765157
Energy: 1.128247643470817
Energy: 0.9922719439414728
Energy: 1.386268956664209
Energy: 0.8052130923255494
Energy: 1.386268956664209
Energy: 0.7991761909869618
Energy: 0.7999780713075852
Energy: 0.7626841703522502
Energy: 0.7999780713061821
Energy: 1.3176061450130487
Energy: 0.7990302787680592
Energy: 0.7999928366984846
Energy: 0.7990302787666561
Energy: 0.8340019008350427
Energy: 1.128002298102912
Energy: 0.7632559811372156
Energy: 1.1280022981001057
Energy: 1.2802774859093582
Energy: 1.387945585058183
Energy: 0.8052997857688762
Energy: 1.3879455850567801
Energy: 1.141797392771395
Energy: 1.3782326996825984
Energy: 0.7663416754125468
Energy: 1.3782326996840017
Energy: 1.4275049376254452
Energy: 0.9583072569789357
Energy: 0.7998468294810945
Energy: 0.9583072569789357
Energy: 0.8341935281693188
Energy: 1.409744527374541
Energy: 0.7672315723145017
Energy: 1.4097445273752425
Energy: 1.1149205165456069
Energy: 1.3874474230677287
Energy: 0.80543732189809
Energy: 1.387447423067027
Energy: 0.7993251982116816
Energy: 1.1162957304765746
Energy: 0.9890799580000098
Energy: 1.1162957304772763
Energy: 1.1018805761901642
Energy: 0.8003652494703003
Energy: 0.7998762413426408
Energy: 0.8003652494703003
Energy: 0.8019497101815082
Energy: 1.4099566154193415
Energy: 0.986210262874187
Energy: 1.4099566154207448
Energy: 0.7740227703736771
Energy: 1.1280240452465058
Energy: 0.8054094090377416
Energy: 1.1280240452472072
Energy: 0.7862561865803153
Energy: 1.1174981010494243
Energy: 0.9923204924931377
Energy: 1.1174981010480212
Energy: 0.7622670648909207
Energy: 0.7998921796579894
Energy: 0.8026101635538587
Energy: 0.7998921796572879
Energy: 0.8021708616551821
Energy: 1.4097175222490723
Energy: 1.3327039901501332
Energy: 1.4097175222490723

minimum gb energy = 0.7622670648909207 eV
minimum distance =  2.19463298169767 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 1.0780497831234122
Energy: 1.2931380464604563
Energy: 0.7662464350201138
Energy: 1.2931380464604563
Energy: 1.542059848445041
Energy: 0.780296502826613
Energy: 0.7355903475166541
Energy: 0.780296502825396
Energy: 1.0305226674816637
Energy: 0.7795580121734479
Energy: 1.0733730909902182
Energy: 0.7795580121734479
Energy: 1.2653505060573849
Energy: 0.7802444175052626
Energy: 0.7357361490105014
Energy: 0.780244417505871
Energy: 0.7781254300484237
Energy: 0.7334841719650341
Energy: 0.6854293367234552
Energy: 0.7334841719644256
Energy: 1.1232522929371977
Energy: 0.7806316704079529
Energy: 0.7354515726163299
Energy: 0.7806316704085614
Energy: 0.7320333381180909
Energy: 0.9278348813498293
Energy: 0.7866634180738503
Energy: 0.9278348813498293
Energy: 0.9804369165022345
Energy: 0.7779463146123518
Energy: 0.7353333373333256
Energy: 0.7779463146123518
Energy: 0.7347566470926361
Energy: 0.8816019973691696
Energy: 1.0400892759124212
Energy: 0.8816019973685609
Energy: 0.8523021167628912
Energy: 0.9280255583663818
Energy: 0.7328108390354622
Energy: 0.9280255583663818
Energy: 0.7350735371984433
Energy: 0.7798491115784123
Energy: 1.1836135477217578
Energy: 0.7798491115784123
Energy: 0.6855584831569009
Energy: 0.7777804707870392
Energy: 0.7789001340343967
Energy: 0.7777804707870392
Energy: 0.7349895409609797
Energy: 0.7536432150097045
Energy: 1.295623058645865
Energy: 0.7536432150097045
Energy: 0.6854907125240606
Energy: 0.7795850035906056
Energy: 1.0311191115357181
Energy: 0.7795850035906056
Energy: 0.7352046623700831
Energy: 0.7804237781849488
Energy: 1.3947266287904765
Energy: 0.7804237781849488
Energy: 0.6879880294891395
Energy: 1.2936405636376462
Energy: 1.0787365467823335
Energy: 1.2936405636376462
Energy: 0.7348824272329403
Energy: 0.7535527273959277
Energy: 1.3945388572333117
Energy: 0.7535527273965361
Energy: 0.8835149740651957
Energy: 0.7796808774051515
Energy: 1.031189557360577
Energy: 0.77968087740576
Energy: 0.7351945315557536
Energy: 0.7803269791715823
Energy: 1.2654411340051126
Energy: 0.7803269791709739
Energy: 0.8814987094198171
Energy: 1.318684142659479
Energy: 0.77886522115412
Energy: 1.3186841426588707
Energy: 0.7347809771062028
Energy: 0.7537729840291265
Energy: 1.1232782474575618
Energy: 0.7537729840285181
Energy: 0.8802534020039906
Energy: 0.779912738137911
Energy: 0.7328487905053664
Energy: 0.7799127381397364
Energy: 0.7373140387039021
Energy: 0.7782706127114194
Energy: 0.9797600745389029
Energy: 0.7782706127114194
Energy: 0.8919664271028092
Energy: 1.315116778153872
Energy: 0.7353948501802672
Energy: 1.3151167781544804
Energy: 0.7350445637812267
Energy: 0.7792030285985292
Energy: 0.8525349421414228
Energy: 0.7792030285985292
Energy: 1.1833324044768692
Energy: 1.0306194716429757
Energy: 0.7363405540610042
Energy: 1.0306194716429757
Energy: 0.7808448996411654
Energy: 0.7779772536382406
Energy: 0.685494057205322
Energy: 0.7779772536376321
Energy: 1.1857258770835817
Energy: 1.3158214064597495
Energy: 0.7355519680687593
Energy: 1.3158214064603584
Energy: 1.033080762584791
Energy: 0.903482069406246
Energy: 0.685215030349908
Energy: 0.903482069406246
Energy: 1.3947941387239164
Energy: 0.9036668304866855
Energy: 0.7364500695422338
Energy: 0.9036668304866855
Energy: 1.0805548737149056
Energy: 1.2834377908853443
Energy: 0.6878699928422893
Energy: 1.2834377908853443
Energy: 1.2976702111290002
Energy: 1.3087102407759876
Energy: 0.7356173885251979
Energy: 1.308710240775379
Energy: 1.0330881818014124
Energy: 0.9036015602628599
Energy: 0.6905599692953339
Energy: 0.9036015602628599
Energy: 1.2652799692071541
Energy: 0.904009820813061
Energy: 0.7362971612526628
Energy: 0.904009820813061
Energy: 0.7810957005787962
Energy: 1.3086226448694311
Energy: 0.8812089549759322
Energy: 1.3086226448694311
Energy: 0.997281812072055
Energy: 1.3089993855669608
Energy: 0.7355565756053659
Energy: 1.3089993855669608
Energy: 0.7350177415748192
Energy: 1.0314025360818047
Energy: 0.8802489206755026
Energy: 1.0314025360818047
Energy: 0.9793293623871313
Energy: 0.7786627964684114
Energy: 0.7366823475003693
Energy: 0.778662796467803
Energy: 0.7352198846085682
Energy: 1.308300472830899
Energy: 0.8919497898472762
Energy: 1.308300472830899
Energy: 0.7006250264499196
Energy: 1.2191861178656924
Energy: 0.7348901361524641
Energy: 1.2191861178644752
Energy: 0.7343523614685024
Energy: 0.9050422967065344
Energy: 1.1708853116643783
Energy: 0.9050422967065344
Energy: 0.6855364906483759
Energy: 0.7785199245867533
Energy: 0.7777801373839326
Energy: 0.7785199245873617
Energy: 0.735409980815569
Energy: 1.308149307219932
Energy: 1.1856972115804105
Energy: 1.3081493072187151

minimum gb energy = 0.685215030349908 eV
minimum distance =  2.19108042046724 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.020433099583924533
Energy: 0.021590408462634332
Energy: 1.1771886325698673
Energy: 0.0215904084631021
Energy: 1.1770015683397201
Energy: 0.4278913467588872
Energy: 0.42855111385153755
Energy: 0.4278913467598227
Energy: 0.020433099583924533
Energy: 0.021590408462634332
Energy: 1.1771886282678257
Energy: 0.021590408462634332
Energy: 1.1770015683365498
Energy: 0.42789134675841944
Energy: 0.4285511138524211
Energy: 0.4278913467593549
Energy: 0.020433099583924533
Energy: 0.0215904084631021
Energy: 1.1771886254265302
Energy: 0.0215904084631021
Energy: 1.1770015683379011
Energy: 0.42789134675841944
Energy: 0.4285511138533567
Energy: 0.4278913467593549

minimum gb energy = 0.020433099583924533 eV
minimum distance =  2.47852757089639 Angstroms
sigma value = 1