Model name: model_name=EAM_Dynamo_WineyKubotaGupta_2010_Al__MO_149316865608_005
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.024845376610756
cohesive_energy=2.6154510344801207
mass=26.981538
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: -0.0307342631051472 eV

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

Energy: 0.00816577777523694
Energy: 0.00862536736400009
Energy: 0.38546625605313567
Energy: 0.00862536736400009
Energy: 0.008625367364492018
Energy: 0.19275849569857353
Energy: 0.00862536736400009
Energy: 0.19275849569806755
Energy: 0.3854662560521377
Energy: 0.00862536736400009
Energy: 0.00816577777523694
Energy: 0.00862536736400009
Energy: 0.00862536736400009
Energy: 0.19275849569857353
Energy: 0.00862536736400009
Energy: 0.19275849569857353

minimum gb energy = 0.00816577777523694 eV
minimum distance =  2.74350547284021 Angstroms
sigma value = 1


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

Energy: 0.43802597555776807
Energy: 0.4358596475861498
Energy: 0.5303955153547283
Energy: 0.4358596475861498
Energy: 0.4581862216061847
Energy: 0.45258520018515164
Energy: 0.4264591743350639
Energy: 0.45258520018392434
Energy: 0.4273851958436831
Energy: 0.4248058558371241
Energy: 0.42965369262988995
Energy: 0.4248058558371241
Energy: 0.4260543522039843
Energy: 0.4546417369011928
Energy: 0.4328427424680783
Energy: 0.4546417369018064
Energy: 0.42374570999995204
Energy: 0.44652996085250474
Energy: 0.42532737477567656
Energy: 0.44652996085250474
Energy: 0.4363506581034044
Energy: 0.4317022023798076
Energy: 0.41974674832807746
Energy: 0.43170220238042123
Energy: 0.4278577199111687
Energy: 0.4395283703826625
Energy: 0.43858914033170704
Energy: 0.4395283703826625
Energy: 0.4375504949597412
Energy: 0.44683549830529007
Energy: 0.4207483693680162
Energy: 0.44683549830590374
Energy: 0.42746559780180604
Energy: 0.46260882565582145
Energy: 0.46358825514933444
Energy: 0.46260882565582145
Energy: 0.41556031417496625
Energy: 0.42460671328557986
Energy: 0.4391490300579903
Energy: 0.42460671328619354
Energy: 0.42392284804033364
Energy: 0.44646027886237016
Energy: 0.4277333898189393
Energy: 0.4464602788599155
Energy: 0.47545401703600604
Energy: 0.43619861484563804
Energy: 0.42094553909619115
Energy: 0.4361986148462518
Energy: 0.43176080088326674
Energy: 0.45825595038221245
Energy: 0.4574238984605578
Energy: 0.4582559503815988
Energy: 0.4325107746222204
Energy: 0.43161242195489263
Energy: 0.42282224546438424
Energy: 0.43161242195489263
Energy: 0.4545817647157102
Energy: 0.4600869966881605
Energy: 0.45833015530986054
Energy: 0.4600869966893878
Energy: 0.4532787150684859
Energy: 0.46096690277460356
Energy: 0.4261920461346726
Energy: 0.4609669027740178
Energy: 0.42961750705160906
Energy: 0.4247142773119319
Energy: 0.42822124246403076
Energy: 0.4247142773113183
Energy: 0.4260178818520701
Energy: 0.4586574662227414
Energy: 0.4571918126701866
Energy: 0.4586574662221277
Energy: 0.4721966735076587
Energy: 0.436109815433424
Energy: 0.42034795158436006
Energy: 0.436109815433424
Energy: 0.42706035895520145
Energy: 0.47622040866018944
Energy: 0.4272286611273574
Energy: 0.4762204086608031
Energy: 0.4172572425333211
Energy: 0.4250082445224452
Energy: 0.4276046463558485
Energy: 0.4250082445212179
Energy: 0.42839828102473343
Energy: 0.4497743921386559
Energy: 0.4524529055303317
Energy: 0.4497743921386559
Energy: 0.4909928744146393
Energy: 0.44650756993276
Energy: 0.4310691882416026
Energy: 0.44650756993337365
Energy: 0.4869178352884424
Energy: 0.43922769960285823
Energy: 0.43609090997668587
Energy: 0.43922769960347186
Energy: 0.43820163759288766
Energy: 0.43128085652980447
Energy: 0.49148665192145324
Energy: 0.43128085652980447
Energy: 0.42276794464497525
Energy: 0.4468117883528075
Energy: 0.4328223179999201
Energy: 0.4468117883521939
Energy: 0.4369110968802014
Energy: 0.45436587024454106
Energy: 0.4281307549756937
Energy: 0.45436587024331376
Energy: 0.43228460304310273
Energy: 0.424493990158391
Energy: 0.4279511892679219
Energy: 0.4244939901596183
Energy: 0.4266342785667108
Energy: 0.45970616299481426
Energy: 0.45443751038302366
Energy: 0.459706162993587
Energy: 0.4386058495849394
Energy: 0.43571948750915473
Energy: 0.4792342167272008
Energy: 0.43571948751038203
Energy: 0.445864392892658
Energy: 0.4501008498496515
Energy: 0.43229849667090237
Energy: 0.4501008498496515
Energy: 0.44857536985636653
Energy: 0.4247879447297148
Energy: 0.4264435535952837
Energy: 0.42478794472910114
Energy: 0.42405420717221026
Energy: 0.45366914876617187
Energy: 0.43457596254565
Energy: 0.45366914876617187

minimum gb energy = 0.41556031417496625 eV
minimum distance =  2.54228872533153 Angstroms
sigma value = 1


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

Energy: 0.453253080728427
Energy: 0.45470219858789995
Energy: 0.5780467491424532
Energy: 0.45470219858789995
Energy: 0.4640901492553148
Energy: 0.4651801614789069
Energy: 0.44823374791401516
Energy: 0.4651801614754086
Energy: 0.4474739840604541
Energy: 0.4593889893922478
Energy: 0.4390525887578114
Energy: 0.4593889893943468
Energy: 0.42642728384389006
Energy: 0.4464619013030443
Energy: 0.44475191279525694
Energy: 0.4464619013044436
Energy: 0.4264741576941182
Energy: 0.46736790358667346
Energy: 0.4709363786958633
Energy: 0.4673679035873731
Energy: 0.4920513508573613
Energy: 0.4507504686365696
Energy: 0.4711828325230143
Energy: 0.4507504686351702
Energy: 0.46336999241892396
Energy: 0.4677857487609898
Energy: 0.44479629811603405
Energy: 0.4677857487609898
Energy: 0.44620972129205455
Energy: 0.45957997176500176
Energy: 0.43712243578528154
Energy: 0.4595799717657014
Energy: 0.4295069590792933
Energy: 0.460243905166563
Energy: 0.448683922282949
Energy: 0.460243905168662
Energy: 0.4262650061152809
Energy: 0.46427188944207
Energy: 0.5140980055393034
Energy: 0.4642718894413703
Energy: 0.46613127968824436
Energy: 0.47660522997471444
Energy: 0.44828751894877805
Energy: 0.47660522997681337
Energy: 0.4367756337592845
Energy: 0.4601338121215058
Energy: 0.44346268419519347
Energy: 0.46013381212220544
Energy: 0.45002624580963185
Energy: 0.4698108721148644
Energy: 0.43750334200334196
Energy: 0.46981087211626366
Energy: 0.4500637346809371
Energy: 0.4699379578090706
Energy: 0.47091505356480795
Energy: 0.469937957808371
Energy: 0.4368645295812619
Energy: 0.4601526035573168
Energy: 0.4374604290836278
Energy: 0.4601526035573168
Energy: 0.46639917680111415
Energy: 0.476593764726154
Energy: 0.43969248465758726
Energy: 0.47659376472405496
Energy: 0.4262610476674361
Energy: 0.46438235336162426
Energy: 0.48014435541383244
Energy: 0.4643823533630235
Energy: 0.42957747567876786
Energy: 0.4602311704971361
Energy: 0.44863571660482804
Energy: 0.46023117049643636
Energy: 0.4462170932794093
Energy: 0.45965506110300225
Energy: 0.4301573991787616
Energy: 0.45965506110090326
Energy: 0.46666981430859483
Energy: 0.46774087160876254
Energy: 0.44782200714758086
Energy: 0.4677408716073633
Energy: 0.49206023796385456
Energy: 0.4507262148367635
Energy: 0.4360473551804258
Energy: 0.4507262148381628
Energy: 0.4264468702642135
Energy: 0.46732889217401397
Energy: 0.4390080984050836
Energy: 0.46732889217471363
Energy: 0.4264218687451315
Energy: 0.4464071897773174
Energy: 0.439086718629493
Energy: 0.44640718978011606
Energy: 0.44740072716568946
Energy: 0.459206317974608
Energy: 0.437537325115979
Energy: 0.4592063179739084
Energy: 0.4639711492455261
Energy: 0.4651310499216306
Energy: 0.4484051167489501
Energy: 0.4651310499237297
Energy: 0.453253080728427
Energy: 0.45470219858789995
Energy: 0.5780467491417537
Energy: 0.45470219858789995
Energy: 0.4640901492546151
Energy: 0.4651801614782072
Energy: 0.44823374791401516
Energy: 0.4651801614754086
Energy: 0.4474739840590547
Energy: 0.4593889893922478
Energy: 0.4438943211292702
Energy: 0.4593889893936472
Energy: 0.42642728384319045
Energy: 0.4464619013030443
Energy: 0.4470994341356304
Energy: 0.4464619013044436

minimum gb energy = 0.4262610476674361 eV
minimum distance =  2.53959462687606 Angstroms
sigma value = 25


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

Energy: 0.4541017390106285
Energy: 0.4756069188845819
Energy: 0.5810132702967143
Energy: 0.4756069188845819
Energy: 0.4780141984577918
Energy: 0.4687962734080714
Energy: 0.4377107141626939
Energy: 0.46879627340725805
Energy: 0.4504192416132875
Energy: 0.5012227401636451
Energy: 0.44070409328531285
Energy: 0.5012227401636451
Energy: 0.4389981046831037
Energy: 0.4755752034272342
Energy: 0.4478819938553938
Energy: 0.4755752034272342
Energy: 0.4606106225782444
Energy: 0.4791059056594156
Energy: 0.47819138137078065
Energy: 0.4791059056594156
Energy: 0.506941623451609
Energy: 0.5000810642997137
Energy: 0.5303012909604139
Energy: 0.5000810643005271
Energy: 0.4377690902910523
Energy: 0.4402438235624283
Energy: 0.4615906757755985
Energy: 0.4402438235624283
Energy: 0.5815970426311453
Energy: 0.48432627556827834
Energy: 0.4514105808533507
Energy: 0.484326275567465
Energy: 0.4616020870381796
Energy: 0.48409091909744706
Energy: 0.4390305043380387
Energy: 0.4840909190966337
Energy: 0.44003603133911806
Energy: 0.5010092835834385
Energy: 0.4435476807598935
Energy: 0.5010092835842519
Energy: 0.477744276123683
Energy: 0.48733250346057244
Energy: 0.4375091374840523
Energy: 0.48733250346138574
Energy: 0.4501260262190509
Energy: 0.4857023248923181
Energy: 0.47454491762005013
Energy: 0.48570232489150483
Energy: 0.4408362728208276
Energy: 0.47154733626963974
Energy: 0.4440426994040692
Energy: 0.47154733626963974
Energy: 0.462863628783837
Energy: 0.4828322675232199
Energy: 0.43880177149165367
Energy: 0.4828322675232199
Energy: 0.48879197403179747
Energy: 0.4787828004083714
Energy: 0.45027519692613055
Energy: 0.4787828004083714
Energy: 0.43794374951113113
Energy: 0.4403535578274777
Energy: 0.4461095720020427
Energy: 0.44035355782829105
Energy: 0.44961254965647507
Energy: 0.5008446892681878
Energy: 0.4496393192966283
Energy: 0.5008446892681878
Energy: 0.44799610699013764
Energy: 0.48576819146179445
Energy: 0.4778230833901954
Energy: 0.48576819146260775
Energy: 0.44178539968394437
Energy: 0.4701446180740178
Energy: 0.46083674875130337
Energy: 0.47014461807320446
Energy: 0.48261392552973165
Energy: 0.49967599316011874
Energy: 0.4382038162180125
Energy: 0.49967599316093214
Energy: 0.44541549735915353
Energy: 0.47029677262055836
Energy: 0.43882991695047574
Energy: 0.47029677262137165
Energy: 0.45520053749769007
Energy: 0.4789555995883421
Energy: 0.511896485581208
Energy: 0.47895559958915546
Energy: 0.4379008996098753
Energy: 0.476332292056474
Energy: 0.43720404442319394
Energy: 0.476332292056474
Energy: 0.4636588397663994
Energy: 0.5009929807354133
Energy: 0.440033707315152
Energy: 0.5009929807345999
Energy: 0.43708489026025377
Energy: 0.47688303311965213
Energy: 0.44666909620146117
Energy: 0.4768830331204655

minimum gb energy = 0.43708489026025377 eV
minimum distance =  2.55404983917152 Angstroms
sigma value = 9


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

Energy: 0.48817327267307997
Energy: 0.49366435108158563
Energy: 0.638562132042767
Energy: 0.49366435108158563
Energy: 0.4867474310010526
Energy: 0.4876436159276655
Energy: 0.46040571096831184
Energy: 0.4876436159276655
Energy: 0.4925385771561515
Energy: 0.467227775855908
Energy: 0.476476748924442
Energy: 0.46722777585687825
Energy: 0.4544846675999736
Energy: 0.4922365249512187
Energy: 0.449340293128766
Energy: 0.4922365249512187
Energy: 0.4921218360528481
Energy: 0.4758358247186876
Energy: 0.45507538665491565
Energy: 0.4758358247196579
Energy: 0.4489914387785625
Energy: 0.45938725804193287
Energy: 0.47339728436852957
Energy: 0.45938725804193287
Energy: 0.4592114586451267
Energy: 0.4974589545491262
Energy: 0.44935046560968406
Energy: 0.4974589545481559
Energy: 0.4925570010653099
Energy: 0.4593937504453002
Energy: 0.45917930786276756
Energy: 0.4593937504462704
Energy: 0.46052544567629533
Energy: 0.47609892428792777
Energy: 0.4532866315165601
Energy: 0.47609892428695744
Energy: 0.4554138277053536
Energy: 0.4937557461119397
Energy: 0.45303444213335403
Energy: 0.4937557461119397
Energy: 0.4713074662427064
Energy: 0.4958307667328403
Energy: 0.4697875015025496
Energy: 0.4958307667328403
Energy: 0.45543865772421827
Energy: 0.4885698718409336
Energy: 0.47234670564560766
Energy: 0.48856987183899303
Energy: 0.44855975905018214
Energy: 0.4580372737801342
Energy: 0.4432214435589213
Energy: 0.4580372737811044
Energy: 0.47981190865744033
Energy: 0.49060225610208086
Energy: 0.45927481720402624
Energy: 0.49060225610305114
Energy: 0.4485659059569325
Energy: 0.45558692154026487
Energy: 0.4948153867056846
Energy: 0.45558692154026487
Energy: 0.4558431554927254
Energy: 0.45801746383159136
Energy: 0.4500357273923085
Energy: 0.45801746383159136
Energy: 0.49365422247098284
Energy: 0.4757226511993076
Energy: 0.4598184031013527
Energy: 0.47572265120027785
Energy: 0.4879311797864972
Energy: 0.49080321607312505
Energy: 0.4985463674477513
Energy: 0.49080321607312505
Energy: 0.46794176291146444
Energy: 0.48970085533793034
Energy: 0.4547758416474688
Energy: 0.4897008553388785
Energy: 0.5395179498062894
Energy: 0.4678363355575625
Energy: 0.4592207894404252
Energy: 0.4678363355575625
Energy: 0.45932364278617666
Energy: 0.48140724097410603
Energy: 0.47266154854444425
Energy: 0.48140724097410603

minimum gb energy = 0.4432214435589213 eV
minimum distance =  2.57602350056619 Angstroms
sigma value = 25


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

Energy: 0.44054866293318223
Energy: 0.5125061894721644
Energy: 0.6257391881953938
Energy: 0.5125061894721644
Energy: 0.4284271408819326
Energy: 0.4845610059407768
Energy: 0.4271316029391617
Energy: 0.48456100593957685
Energy: 0.428496839401546
Energy: 0.5242450673057636
Energy: 0.4292068946420677
Energy: 0.5242450673057636
Energy: 0.44239014914707914
Energy: 0.4338614311056271
Energy: 0.5330633291770616
Energy: 0.43386143110202735
Energy: 0.5315479096895016
Energy: 0.4842715426185353
Energy: 0.4575310866846218
Energy: 0.4842715426185353
Energy: 0.42954311056278066
Energy: 0.5256624366401705
Energy: 0.42840935783881073
Energy: 0.5256624366401705
Energy: 0.45568660371730085
Energy: 0.48587702728716314
Energy: 0.4287876743279574
Energy: 0.48587702728716314
Energy: 0.5299256143463993
Energy: 0.5131580774875131
Energy: 0.44104871175798477
Energy: 0.5131580774887131
Energy: 0.4280507641874306
Energy: 0.48253847583570403
Energy: 0.43001105783258786
Energy: 0.48253847583570403
Energy: 0.5401216391193174
Energy: 0.4458854971991603
Energy: 0.4297663094636734
Energy: 0.44588549719436066
Energy: 0.4944432801088022
Energy: 0.513865716127688
Energy: 0.6335407803815879
Energy: 0.513865716127688
Energy: 0.42780459645840224
Energy: 0.4460458937489771
Energy: 0.5396458663222695
Energy: 0.446045893750177
Energy: 0.5417945008759512
Energy: 0.5267773747747145
Energy: 0.4286541766931841
Energy: 0.5267773747747145
Energy: 0.4274779883443064
Energy: 0.48646504235799626
Energy: 0.4416948132862226
Energy: 0.48646504235799626
Energy: 0.428711862298287
Energy: 0.5133315721549546
Energy: 0.5306542572275926
Energy: 0.5133315721549546
Energy: 0.4290340070131047
Energy: 0.4463736293121382
Energy: 0.42966195628686477
Energy: 0.4463736293121382
Energy: 0.42796103585357703
Energy: 0.4645965003872674
Energy: 0.5390736804300108
Energy: 0.46459650038606753

minimum gb energy = 0.4271316029391617 eV
minimum distance =  2.64088742822996 Angstroms
sigma value = 17


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

Energy: 0.48067974090919163
Energy: 0.4765859924306482
Energy: 0.6552285495646755
Energy: 0.4765859924320074
Energy: 0.5140499964844557
Energy: 0.4648326016066457
Energy: 0.43677673022370234
Energy: 0.46483260160732526
Energy: 0.5303056744397633
Energy: 0.4861020961797446
Energy: 0.4391856355044481
Energy: 0.4861020961797446
Energy: 0.43808372615334634
Energy: 0.47979654068885375
Energy: 0.4869095543130182
Energy: 0.47979654068885375
Energy: 0.5388821941136727
Energy: 0.4827029683213257
Energy: 0.4365096322514131
Energy: 0.4827029683213257
Energy: 0.4418567100222797
Energy: 0.4493840960725207
Energy: 0.5406764366495999
Energy: 0.4493840960725207
Energy: 0.4365487950947009
Energy: 0.4807672406940989
Energy: 0.4396554415842994
Energy: 0.4807672406940989
Energy: 0.5368041804231164
Energy: 0.449294030436117
Energy: 0.4457489689442254
Energy: 0.449294030436117
Energy: 0.4434624023141187
Energy: 0.512875460285738
Energy: 0.5470871203680681
Energy: 0.5128754602850585
Energy: 0.5967753908541166
Energy: 0.46970758759370457
Energy: 0.4418246124250939
Energy: 0.46970758759370457
Energy: 0.44010749077747474
Energy: 0.48007609005400115
Energy: 0.5327117542437317
Energy: 0.4800760900533216
Energy: 0.44624959621313937
Energy: 0.47915121666617455
Energy: 0.4408182128915874
Energy: 0.47915121666617455
Energy: 0.5159409291823942
Energy: 0.47050780955727367
Energy: 0.47903039546603493
Energy: 0.47050780955727367
Energy: 0.441896225530351
Energy: 0.5065086333458123
Energy: 0.5153657625991463
Energy: 0.506508633346492
Energy: 0.4901627369018988
Energy: 0.4833128583439424
Energy: 0.4431494625731783
Energy: 0.4833128583439424
Energy: 0.5309106569932311
Energy: 0.4479344680579867
Energy: 0.5366551133741405
Energy: 0.447934468057307
Energy: 0.43956759631043363
Energy: 0.47672041976832225
Energy: 0.5770716046205683
Energy: 0.47672041976832225
Energy: 0.5676293447743369
Energy: 0.47583392821901543
Energy: 0.44188561280985916
Energy: 0.475833928219695
Energy: 0.44274078799907035
Energy: 0.4796167661863938
Energy: 0.46112642033951007
Energy: 0.4796167661863938
Energy: 0.43686028738431026
Energy: 0.4797959140810254
Energy: 0.4392118194157784
Energy: 0.4797959140810254
Energy: 0.4861314895750371
Energy: 0.47869562579761393
Energy: 0.5303828830480716
Energy: 0.47869562579829356
Energy: 0.4379626817838871
Energy: 0.5351127172269208
Energy: 0.59636916380669
Energy: 0.5351127172276003
Energy: 0.5587453080178063
Energy: 0.47953381799016137
Energy: 0.43755725666554923
Energy: 0.4795338179915205
Energy: 0.440237909569969
Energy: 0.4823324804377946
Energy: 0.5121323871346565
Energy: 0.48233248043915383
Energy: 0.44048774248733474
Energy: 0.4780366726398795
Energy: 0.5122147542710959
Energy: 0.4780366726398795
Energy: 0.5508433551620272
Energy: 0.4798220415752795
Energy: 0.43836597126686705
Energy: 0.47982204157595904
Energy: 0.43649585306678745
Energy: 0.5365880664320474
Energy: 0.606151601599531
Energy: 0.5365880664320474
Energy: 0.5371927490589249
Energy: 0.448514203711685
Energy: 0.5312001612006448
Energy: 0.44851420371780115
Energy: 0.5799141433303954
Energy: 0.4801180544255718
Energy: 0.4404550378434125
Energy: 0.48011805442625144
Energy: 0.4459246375160546
Energy: 0.4976410907097296
Energy: 0.5082945567712641
Energy: 0.4976410907097296

minimum gb energy = 0.43649585306678745 eV
minimum distance =  2.51543883643943 Angstroms
sigma value = 53


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

Energy: 0.39624543818104724
Energy: 0.3957186862334634
Energy: 0.6292711340372363
Energy: 0.3957186862322189
Energy: 0.5198261520480555
Energy: 0.4292275007097726
Energy: 0.48126506233839034
Energy: 0.42922750071069704
Energy: 0.3952318631704596
Energy: 0.3958593636601304
Energy: 0.4798364066811678
Energy: 0.3958593636599704
Energy: 0.3952585660097877
Energy: 0.3959703965892807
Energy: 0.47649177401578596
Energy: 0.395970396590223
Energy: 0.519816244959862
Energy: 0.42911758385605797
Energy: 0.4801794419136902
Energy: 0.4291175838570003
Energy: 0.39624543818042496
Energy: 0.3957186862328411
Energy: 0.6425761703038895
Energy: 0.3957186862320589
Energy: 0.5198261520481977
Energy: 0.4292275007096126
Energy: 0.523774215066642
Energy: 0.42922750071101706
Energy: 0.3952318631702996
Energy: 0.3958593636607527
Energy: 0.47983640668147004
Energy: 0.3958593636607527
Energy: 0.3952585660093077
Energy: 0.3959703965884984
Energy: 0.47755383240553256
Energy: 0.3959703965897607
Energy: 0.519816244959542
Energy: 0.42911758385559573
Energy: 0.5238404919335188
Energy: 0.42911758385668025
Energy: 0.39624543818104724
Energy: 0.3957186862330011
Energy: 0.6425761703038895
Energy: 0.3957186862322189
Energy: 0.5198261520472733
Energy: 0.4292275007097726
Energy: 0.5237742150669441
Energy: 0.42922750071053706
Energy: 0.3952318631704596
Energy: 0.3958593636607527
Energy: 0.5267565371457678
Energy: 0.39585936365981045

minimum gb energy = 0.3952318631702996 eV
minimum distance =  2.6114916425831 Angstroms
sigma value = 9


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

Energy: 0.4596867084746959
Energy: 0.5410700482696684
Energy: 0.6437482168845957
Energy: 0.5410700482690894
Energy: 0.5585383808282709
Energy: 0.4830372320185555
Energy: 0.46176163378770174
Energy: 0.4830372320185555
Energy: 0.46435953952692555
Energy: 0.4552352563371665
Energy: 0.46244212758847486
Energy: 0.4552352563365874
Energy: 0.5478641595056828
Energy: 0.4950650170252707
Energy: 0.46218799843203845
Energy: 0.4950650170252707
Energy: 0.5362876241797414
Energy: 0.4754940550064366
Energy: 0.4623144462217718
Energy: 0.4754940550070156
Energy: 0.45549398253570395
Energy: 0.4555121735311032
Energy: 0.5583794539701277
Energy: 0.4555121735311032
Energy: 0.6512439420294726
Energy: 0.4760452834422168
Energy: 0.46119522382518763
Energy: 0.47604528344279584
Energy: 0.46351828038062576
Energy: 0.5117231326642165
Energy: 0.5477978898019069
Energy: 0.5117231326653745
Energy: 0.46425081675003826
Energy: 0.5374559895051708
Energy: 0.4523191479101924
Energy: 0.5374559895057499
Energy: 0.461441523087759
Energy: 0.47928214801391256
Energy: 0.45657533269223244
Energy: 0.4792821480127544
Energy: 0.46427242166309984
Energy: 0.5022833063677764
Energy: 0.6563742416384488
Energy: 0.5022833063671974
Energy: 0.5535476033397424
Energy: 0.5608588531380084
Energy: 0.4619528744396452
Energy: 0.5608588531374294
Energy: 0.4628407541956876
Energy: 0.5041635991653923
Energy: 0.5988607198664696
Energy: 0.5041635991653923
Energy: 0.544961648571857
Energy: 0.5423725767007391
Energy: 0.46179385970243375
Energy: 0.5423725767030553
Energy: 0.4618714834849475
Energy: 0.5030490686492883
Energy: 0.5389734049004186
Energy: 0.5030490686504465
Energy: 0.4624410709332907
Energy: 0.552095434418799
Energy: 0.5502818856196365
Energy: 0.552095434418799
Energy: 0.49560551838502814
Energy: 0.4592819964445014
Energy: 0.46196294298559565
Energy: 0.4592819964485547
Energy: 0.4618710857990697
Energy: 0.47694336172559887
Energy: 0.5466047962152826
Energy: 0.47694336172675705
Energy: 0.5339280626237445
Energy: 0.5040121261174002
Energy: 0.45618053714350976
Energy: 0.5040121261156629
Energy: 0.4619805391573553
Energy: 0.4890596441469539
Energy: 0.5030202928683094
Energy: 0.4890596441481121
Energy: 0.5459942951229482
Energy: 0.5477545487429932
Energy: 0.5466220243815173
Energy: 0.5477545487424144
Energy: 0.5122746361302808
Energy: 0.4617412738080511
Energy: 0.46329452964924145
Energy: 0.461741273806893
Energy: 0.45222968536970076
Energy: 0.5048059585629234
Energy: 0.4689172852009983
Energy: 0.5048059585640816
Energy: 0.6577062363841158
Energy: 0.5022796017472724
Energy: 0.4641407767342384
Energy: 0.5022796017472724
Energy: 0.46106101603461996
Energy: 0.5761613114075697
Energy: 0.6027235263947723
Energy: 0.5761613114081486
Energy: 0.5077955714223923
Energy: 0.4554168869407317
Energy: 0.4650454142496695
Energy: 0.4554168869407317
Energy: 0.5367288417499568
Energy: 0.5024551779104607
Energy: 0.5460026698746905
Energy: 0.5024551779104607
Energy: 0.4574969133506724
Energy: 0.5136235782170786
Energy: 0.5437522698813428
Energy: 0.5136235782176577
Energy: 0.5059656451350175
Energy: 0.45557789481106825
Energy: 0.46524536557816387
Energy: 0.4555778948093311
Energy: 0.4614269595015648
Energy: 0.5756988215407123
Energy: 0.6055855253808636
Energy: 0.5756988215412913
Energy: 0.6354344563386218
Energy: 0.5024474677729764
Energy: 0.4636382715237424
Energy: 0.5024474677741346
Energy: 0.4529401738230852
Energy: 0.475527688680607
Energy: 0.46579488999825447
Energy: 0.475527688680607
Energy: 0.45447708578243845
Energy: 0.45949476641714604
Energy: 0.46444934509058716
Energy: 0.4594947664159879
Energy: 0.5469266626870403
Energy: 0.50638686931244
Energy: 0.547197802792418
Energy: 0.50638686931244
Energy: 0.4688923823424206
Energy: 0.5464341956874492
Energy: 0.6442702645143792
Energy: 0.5464341956880282

minimum gb energy = 0.45222968536970076 eV
minimum distance =  2.59646406096884 Angstroms
sigma value = 73


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

Energy: 0.5049180247750057
Energy: 0.46671020686912695
Energy: 0.6223820260958356
Energy: 0.46671020686912695
Energy: 0.5151870329991113
Energy: 0.4950160301295153
Energy: 0.4672558682488657
Energy: 0.49501603012859663
Energy: 0.47370660469478565
Energy: 0.5064478693830529
Energy: 0.462540896203157
Energy: 0.5064478693839715
Energy: 0.47452187980518035
Energy: 0.5113728944121021
Energy: 0.47655034340285146
Energy: 0.5113728944111835
Energy: 0.5004925178170477
Energy: 0.4936181354846267
Energy: 0.46298521891078936
Energy: 0.493618135483708
Energy: 0.4746570022014834
Energy: 0.4613948502381919
Energy: 0.6108775710867638
Energy: 0.4613948502381919
Energy: 0.6312901576578307
Energy: 0.5365066114716909
Energy: 0.47050947438578267
Energy: 0.5365066114716909
Energy: 0.4713053689232118
Energy: 0.4585452550910558
Energy: 0.5967204308968143
Energy: 0.4585452550901371
Energy: 0.6298314817761878
Energy: 0.4587274827744771
Energy: 0.45555772682202456
Energy: 0.4587274827735584
Energy: 0.4699286481340967
Energy: 0.49249509742899483
Energy: 0.455957746969768
Energy: 0.49249509742899483
Energy: 0.46741658226839666
Energy: 0.47945438168639193
Energy: 0.5901707508144715
Energy: 0.4794543816854733
Energy: 0.5494336848371801
Energy: 0.46723951993728163
Energy: 0.4741968732044193
Energy: 0.46723951993728163
Energy: 0.4700201126124875
Energy: 0.4891945496642049
Energy: 0.552434944923452
Energy: 0.4891945496642049
Energy: 0.6407804187449214
Energy: 0.48849443206021403
Energy: 0.4756568616515196
Energy: 0.48849443205837667
Energy: 0.4704911424501747
Energy: 0.5174525432092042
Energy: 0.5741990958716368
Energy: 0.5174525432119393
Energy: 0.5848586186043793
Energy: 0.48497422774559185
Energy: 0.4722593068915156
Energy: 0.48497422774651056
Energy: 0.5024617231834504
Energy: 0.5064438689989543
Energy: 0.47414506958040226
Energy: 0.5064438689971169
Energy: 0.5008116811250731
Energy: 0.516570634067723
Energy: 0.4747911890481618
Energy: 0.516570634067723
Energy: 0.5536695207160041
Energy: 0.45847122640370125
Energy: 0.4710576714643088
Energy: 0.45847122640461996
Energy: 0.4709959215051308
Energy: 0.501561757593083
Energy: 0.6053802604913706
Energy: 0.501561757593083
Energy: 0.6215110364610048
Energy: 0.5077603222823612
Energy: 0.47374827564696276
Energy: 0.5077603222832799
Energy: 0.47652994942220667
Energy: 0.4933955606691827
Energy: 0.5407293208839294
Energy: 0.4933955606691827

minimum gb energy = 0.45555772682202456 eV
minimum distance =  2.55699821739021 Angstroms
sigma value = 7


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

Energy: 0.4851282287563649
Energy: 0.4844960957360047
Energy: 0.6835168954499389
Energy: 0.4844960957418513
Energy: 0.6157800519304282
Energy: 0.5102274439844191
Energy: 0.4845548473907266
Energy: 0.5102274439844191
Energy: 0.47397264532272565
Energy: 0.48609775770470376
Energy: 0.4900611219605433
Energy: 0.4860977577021052
Energy: 0.514861425914068
Energy: 0.507878433189138
Energy: 0.4761195242832058
Energy: 0.5078784331904371
Energy: 0.470985801923024
Energy: 0.49156463565257985
Energy: 0.4862451638302447
Energy: 0.4915646356493317
Energy: 0.47358844749048656
Energy: 0.49003149243467253
Energy: 0.6189476836633525
Energy: 0.49003149243727095
Energy: 0.5463977102035944
Energy: 0.5126626838239173
Energy: 0.4954107796253764
Energy: 0.5126626838206692
Energy: 0.4735092407889918
Energy: 0.48532533139556394
Energy: 0.643149811511846
Energy: 0.4853253313923158
Energy: 0.5483437798114913
Energy: 0.5079922470373094
Energy: 0.4755504868846219
Energy: 0.5079922470347108
Energy: 0.4825525465362307
Energy: 0.5034091265221627
Energy: 0.537329345549341
Energy: 0.503409126521513
Energy: 0.5036773221001308
Energy: 0.5405131206864846
Energy: 0.49492786894103563
Energy: 0.5405131206884335
Energy: 0.48907358127782424
Energy: 0.49156613717450703
Energy: 0.5012872668326535
Energy: 0.49156613717255815
Energy: 0.4837897398049328
Energy: 0.5017217250131236
Energy: 0.5058743767804312
Energy: 0.5017217250111747
Energy: 0.4972683671349588
Energy: 0.4856372718513714
Energy: 0.492292115170379
Energy: 0.4856372718526706
Energy: 0.48290844985422443
Energy: 0.5646180990033755
Energy: 0.5473138652207877
Energy: 0.564618099005974
Energy: 0.6978234660839536
Energy: 0.4839654723192376
Energy: 0.47676763740585626
Energy: 0.4839654723146902
Energy: 0.4742314389886807
Energy: 0.4994090693149747
Energy: 0.5428269184405202
Energy: 0.49940906931887236
Energy: 0.4804125417537768
Energy: 0.5055550349487563
Energy: 0.4925118838185323
Energy: 0.5055550349494057
Energy: 0.4742751201089494
Energy: 0.5343937090370544
Energy: 0.49421092515946063
Energy: 0.5343937090331565
Energy: 0.4766847168105994
Energy: 0.5034971024039415
Energy: 0.48220737933465907
Energy: 0.5034971024065399
Energy: 0.5199498011626036
Energy: 0.5036063259843879
Energy: 0.47543192317715094
Energy: 0.5036063259817896
Energy: 0.4730612206224719
Energy: 0.48511921414103376
Energy: 0.5419856391769028
Energy: 0.4851192141390849
Energy: 0.6130311155510552
Energy: 0.508147485777119
Energy: 0.4921695148611689
Energy: 0.5081474857823159
Energy: 0.4868344009881272
Energy: 0.4850290484758059
Energy: 0.6183217682186058
Energy: 0.48502904847905404
Energy: 0.4807186518869801
Energy: 0.4919980056266162
Energy: 0.4837848876714386
Energy: 0.4919980056272659
Energy: 0.501894139565735
Energy: 0.5362332313811317
Energy: 0.49703565096406616
Energy: 0.5362332313830804
Energy: 0.47507966699225707
Energy: 0.5085069126824192
Energy: 0.47636189056793493
Energy: 0.5085069126817695
Energy: 0.4897194849753913
Energy: 0.4999442340493566
Energy: 0.47605378755950833
Energy: 0.4999442340467582
Energy: 0.47157638100476285
Energy: 0.484707874491772
Energy: 0.5652701915519147
Energy: 0.4847078744937208
Energy: 0.4899958145518886
Energy: 0.5124778678518117
Energy: 0.4843355359414085
Energy: 0.5124778678492133
Energy: 0.4717983514023132
Energy: 0.48459575146237993
Energy: 0.6089231662102957
Energy: 0.4845957514636792

minimum gb energy = 0.470985801923024 eV
minimum distance =  2.52603618961362 Angstroms
sigma value = 29


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

Energy: 0.4710355320052992
Energy: 0.4827830118638914
Energy: 0.5493742252216731
Energy: 0.4827830118638914
Energy: 0.48585933832249867
Energy: 0.45568508215523096
Energy: 0.47119687226105156
Energy: 0.45568508215523096
Energy: 0.4928677995848089
Energy: 0.45466649891059824
Energy: 0.5303178950068458
Energy: 0.45466649891015826
Energy: 0.471045410874571
Energy: 0.45169762321155965
Energy: 0.4710942869631997
Energy: 0.45169762321176077
Energy: 0.4713027288334508
Energy: 0.4515402842096436
Energy: 0.5304819835829134
Energy: 0.4515402842096436
Energy: 0.4929722207937955
Energy: 0.47234236264573076
Energy: 0.49295511102134904
Energy: 0.47234236264550444
Energy: 0.4613618670622154
Energy: 0.4515248153333472
Energy: 0.4712736170059281
Energy: 0.4515248153333472
Energy: 0.47112106248035895
Energy: 0.45161900000586275
Energy: 0.4711051378176734
Energy: 0.45161900000631533
Energy: 0.5302999878840535
Energy: 0.454640442508009
Energy: 0.49287434231968164
Energy: 0.45464044250844904

minimum gb energy = 0.4515248153333472 eV
minimum distance =  2.68300049623005 Angstroms
sigma value = 5


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

Energy: 0.46101964816645236
Energy: 0.5141270301533493
Energy: 0.5865931752555265
Energy: 0.5141270301533493
Energy: 0.4691201365689729
Energy: 0.5149311654393525
Energy: 0.4646342889375688
Energy: 0.5149311654399661
Energy: 0.4526702849313757
Energy: 0.5089016955708902
Energy: 0.5549278563557701
Energy: 0.5089016955708902
Energy: 0.46661859776740583
Energy: 0.493889871104791
Energy: 0.4542397125744367
Energy: 0.4938898711060183
Energy: 0.4541853923042654
Energy: 0.5096920649527434
Energy: 0.5500699975201923
Energy: 0.5096920649515161
Energy: 0.5067118177150268
Energy: 0.507405889359581
Energy: 0.4532857666729621
Energy: 0.507405889359581
Energy: 0.4522679129288087
Energy: 0.49606746985541067
Energy: 0.4482386010312163
Energy: 0.49606746985541067
Energy: 0.45106077032397224
Energy: 0.5109625726054643
Energy: 0.45498187152049513
Energy: 0.5109625726054643
Energy: 0.4563227602387538
Energy: 0.5098438322867078
Energy: 0.4751837059561097
Energy: 0.5098438322867078
Energy: 0.4520745348162844
Energy: 0.453623474769355
Energy: 0.45425030603879035
Energy: 0.453623474769355
Energy: 0.47292362247164044
Energy: 0.5444169135429461
Energy: 0.4535766679476714
Energy: 0.5444169135423325
Energy: 0.45994520637641195
Energy: 0.5037541727752192
Energy: 0.48789267762766364
Energy: 0.5037541727739919
Energy: 0.526134826320622
Energy: 0.5075533089979354
Energy: 0.48838890367015625
Energy: 0.5075533089979354
Energy: 0.45355650105530537
Energy: 0.5101658929640119
Energy: 0.4860157600296139
Energy: 0.5101658929640119
Energy: 0.46934941705275945
Energy: 0.48516695480216004
Energy: 0.45356600687164533
Energy: 0.4851669548027737
Energy: 0.45355954851258806
Energy: 0.48746783194698623
Energy: 0.507809746855156
Energy: 0.48746783194575893
Energy: 0.47046481894066655
Energy: 0.506245683680696
Energy: 0.4595842590696622
Energy: 0.5062456836813096
Energy: 0.4537184127660084
Energy: 0.5110581592709391
Energy: 0.5485217948319112
Energy: 0.5110581592709391
Energy: 0.44867416499868257
Energy: 0.4960679313116804
Energy: 0.4491314175559546
Energy: 0.4960679313116804
Energy: 0.45242483887665275
Energy: 0.5499725079200162
Energy: 0.4682376172734391
Energy: 0.5499725079206297
Energy: 0.4606050672153341
Energy: 0.5135670686401349
Energy: 0.4554817060567457
Energy: 0.5135670686395213
Energy: 0.4632419299283256
Energy: 0.4870214551022621
Energy: 0.44943874135668793
Energy: 0.4870214551028757
Energy: 0.45385437674433626
Energy: 0.492609656165298
Energy: 0.4652739775815397
Energy: 0.492609656165298
Energy: 0.4874403948983827
Energy: 0.4773318195191003
Energy: 0.4629876190442751
Energy: 0.4773318195191003
Energy: 0.4930420690181451
Energy: 0.47224871031365356
Energy: 0.4600846340839918
Energy: 0.47224871031365356
Energy: 0.47295664240314905
Energy: 0.5089870210790997
Energy: 0.4549350414947291
Energy: 0.5089870210784861
Energy: 0.4563393950589227
Energy: 0.48370999219271654
Energy: 0.46870888895760404
Energy: 0.48370999219333016
Energy: 0.5204520777785555
Energy: 0.5040543537497377
Energy: 0.4536100073428181
Energy: 0.5040543537503515
Energy: 0.45935337835921836
Energy: 0.5467698422043801
Energy: 0.4713440958746551
Energy: 0.5467698422037663
Energy: 0.5168388941545272
Energy: 0.5158798745026572
Energy: 0.4535896566047621
Energy: 0.5158798745026572
Energy: 0.45259749926069404
Energy: 0.485785177534867
Energy: 0.5152905379255183
Energy: 0.4857851775360943
Energy: 0.5504675943512286
Energy: 0.5054275220036062
Energy: 0.4530438725140732
Energy: 0.5054275220036062
Energy: 0.45477427315716157
Energy: 0.5043031690892917
Energy: 0.45896226338500795
Energy: 0.5043031690886781

minimum gb energy = 0.4482386010312163 eV
minimum distance =  2.5235059065013 Angstroms
sigma value = 1


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

Energy: 0.5353120177035015
Energy: 0.459907440492597
Energy: 0.5833551782453599
Energy: 0.4599074404942939
Energy: 0.4663172078838856
Energy: 0.4899904159644078
Energy: 0.43477258447626554
Energy: 0.48999041596355924
Energy: 0.4377562617669796
Energy: 0.49172368178995757
Energy: 0.5173072101876461
Energy: 0.49172368178910913
Energy: 0.4499775587352245
Energy: 0.47838942551713326
Energy: 0.44070894440349845
Energy: 0.4783894255162848
Energy: 0.43063524069099196
Energy: 0.4495638558627122
Energy: 0.5570444228293049
Energy: 0.4495638558618637
Energy: 0.4303991770939836
Energy: 0.5222834341898424
Energy: 0.4407196243607657
Energy: 0.5222834341898424
Energy: 0.4366943150792184
Energy: 0.49822025400712283
Energy: 0.4560177116100924
Energy: 0.4982202540088198
Energy: 0.43628458386247065
Energy: 0.4986742787513959
Energy: 0.4723457837337759
Energy: 0.4986742787530928
Energy: 0.4640436997833122
Energy: 0.45972968976246753
Energy: 0.4884162969792375
Energy: 0.459729689763316
Energy: 0.4641273345988831
Energy: 0.48375217289736955
Energy: 0.47036853403905254
Energy: 0.4837521728990665
Energy: 0.43615863747190065
Energy: 0.5263896535713035
Energy: 0.46724498224525396
Energy: 0.5263896535696065
Energy: 0.43617552529482817
Energy: 0.44962188986814455
Energy: 0.4561255267632116
Energy: 0.449621889867296
Energy: 0.4275310507717931
Energy: 0.4879349759012664
Energy: 0.44125323347448825
Energy: 0.4879349759012664
Energy: 0.4273352102081045
Energy: 0.49581443448849916
Energy: 0.5314840120816262
Energy: 0.49581443448934764
Energy: 0.4920757557877637
Energy: 0.4772249584731644
Energy: 0.4411610553937891
Energy: 0.4772249584757098
Energy: 0.4377693388080753
Energy: 0.4924444940885026
Energy: 0.46133903648818037
Energy: 0.4924444940885026
Energy: 0.5161863804244193
Energy: 0.5273267145274582
Energy: 0.43441240591486935
Energy: 0.5273267145274582
Energy: 0.5353120177051984
Energy: 0.459907440492597
Energy: 0.5833551782445113
Energy: 0.459907440492597
Energy: 0.4663172078830371
Energy: 0.48999041596355924
Energy: 0.43477258447541706
Energy: 0.48999041596525617
Energy: 0.4377562617661312
Energy: 0.49172368178995757
Energy: 0.5173072101935853
Energy: 0.49172368178826065
Energy: 0.44997755873861833
Energy: 0.47838942551713326
Energy: 0.44070894440349845
Energy: 0.4783894255162848
Energy: 0.43063524069099196
Energy: 0.4495638558627122
Energy: 0.5570444228284565
Energy: 0.4495638558610152
Energy: 0.4303991770956806
Energy: 0.5222834341906909
Energy: 0.4407196243590881
Energy: 0.5222834341906909
Energy: 0.4366943150792184
Energy: 0.4982202540062744
Energy: 0.4738098814208554
Energy: 0.4982202540088198

minimum gb energy = 0.4273352102081045 eV
minimum distance =  2.53837696419547 Angstroms
sigma value = 17


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

Energy: 0.4634243101768446
Energy: 0.4639676127954509
Energy: 0.5833444191182174
Energy: 0.4639676127954509
Energy: 0.4713931076518954
Energy: 0.49971398675667844
Energy: 0.440278926226454
Energy: 0.4997139867551052
Energy: 0.4376703084042897
Energy: 0.4606712346272195
Energy: 0.5534692891950939
Energy: 0.46067123462617066
Energy: 0.4873387580167741
Energy: 0.4808928022714901
Energy: 0.437913706340684
Energy: 0.4808928022720146
Energy: 0.4375207125159219
Energy: 0.5020625129242003
Energy: 0.46735799174593934
Energy: 0.5020625129242003
Energy: 0.45356936123562663
Energy: 0.4503003393538871
Energy: 0.4421289707809173
Energy: 0.4503003393533626
Energy: 0.4426352534496706
Energy: 0.4826875711715931
Energy: 0.4606655443291428
Energy: 0.4826875711710687
Energy: 0.4501150345831218
Energy: 0.471158989007765
Energy: 0.4385295829876267
Energy: 0.47115898900881387
Energy: 0.46784559022393685
Energy: 0.4864214154241565
Energy: 0.4761369479782622
Energy: 0.4864214154236321
Energy: 0.46903198768526816
Energy: 0.4619176587383391
Energy: 0.4388995705952554
Energy: 0.4619176587383391
Energy: 0.43760277415654014
Energy: 0.45466096858725696
Energy: 0.439450769549328
Energy: 0.45466096858673255
Energy: 0.43851148091294845
Energy: 0.47201944321291633
Energy: 0.43324780390048667
Energy: 0.47201944321344075
Energy: 0.4495410292286007
Energy: 0.4501715270106502
Energy: 0.43947656088378834
Energy: 0.45017152701117463
Energy: 0.44531434648671325
Energy: 0.48838764325693246
Energy: 0.46386928800278543
Energy: 0.4883876432579813
Energy: 0.4384813120955266
Energy: 0.48181046823045265
Energy: 0.46864179156147784
Energy: 0.48181046823097706
Energy: 0.43772821885696594
Energy: 0.4943603250538933
Energy: 0.4594684903564253
Energy: 0.4943603250538933
Energy: 0.44792545535720957
Energy: 0.4818995813092581
Energy: 0.4393060825106257
Energy: 0.4818995813087336
Energy: 0.4350361845474688
Energy: 0.4642247342971493
Energy: 0.556917343221149
Energy: 0.4642247342971493
Energy: 0.522218336556697
Energy: 0.47183239344046685
Energy: 0.439987599134563
Energy: 0.471832393439418
Energy: 0.4391728511497414
Energy: 0.4604621925266573
Energy: 0.5071579938521334
Energy: 0.46046219252718174
Energy: 0.452492966277069
Energy: 0.44919637942284457
Energy: 0.4449444009310411
Energy: 0.44919637942336904
Energy: 0.4444555971166337
Energy: 0.500170013248667
Energy: 0.51354493195731
Energy: 0.5001700132476181
Energy: 0.49179246271605875
Energy: 0.4854391547215556
Energy: 0.44031064881187265
Energy: 0.48543915472208
Energy: 0.440366119273283
Energy: 0.4963101453792885
Energy: 0.5361326925283681
Energy: 0.4963101453787641
Energy: 0.4768995438450659
Energy: 0.4643795264292171
Energy: 0.4364195372015742
Energy: 0.4643795264292171
Energy: 0.4427138124106435
Energy: 0.488956131717723
Energy: 0.44769123334929745
Energy: 0.4889561317182474
Energy: 0.519652353365673
Energy: 0.4610170037892101
Energy: 0.43750900525040026
Energy: 0.4610170037892101
Energy: 0.4711482704984669
Energy: 0.48145685581704756
Energy: 0.4415321178142339
Energy: 0.48145685581599873
Energy: 0.46382849051469827
Energy: 0.5039217260586135
Energy: 0.44548045137698955
Energy: 0.5039217260580889
Energy: 0.44306586967319894
Energy: 0.4588600672425564
Energy: 0.4708245142736519
Energy: 0.458860067242032
Energy: 0.4406807903639358
Energy: 0.48762729591512644
Energy: 0.4406100714027474
Energy: 0.4876272959156509
Energy: 0.441063817912676
Energy: 0.4547179985628257
Energy: 0.4344360110488615
Energy: 0.45471799856335016
Energy: 0.4376122708017021
Energy: 0.46268410237259
Energy: 0.5377772875451947
Energy: 0.46268410237259
Energy: 0.4784582646221511
Energy: 0.48717838925432294
Energy: 0.44308291436633696
Energy: 0.4871783892537985
Energy: 0.4377786340789303
Energy: 0.49820754381382476
Energy: 0.4630057858530041
Energy: 0.4982075438133003
Energy: 0.4606141687766921
Energy: 0.48304894298076556
Energy: 0.4528172272026436
Energy: 0.48304894298076556
Energy: 0.4403434039222857
Energy: 0.45000098053275495
Energy: 0.45531842013286433
Energy: 0.45000098053275495
Energy: 0.4577405076858124
Energy: 0.5028936821139434
Energy: 0.4417176213187053
Energy: 0.5028936821139434

minimum gb energy = 0.43324780390048667 eV
minimum distance =  2.53059239196649 Angstroms
sigma value = 89


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

Energy: 0.4043551102332455
Energy: 0.4046111731637751
Energy: 0.4584749819520139
Energy: 0.4046111731639154
Energy: 0.4051902381134011
Energy: 0.4146787985308791
Energy: 0.4140713611765383
Energy: 0.41467879853061396
Energy: 0.4125254322325879
Energy: 0.4862305706855879
Energy: 0.7052044927220417
Energy: 0.48623057068532277
Energy: 0.4622979641499341
Energy: 0.4147101514079479
Energy: 0.414002392163395
Energy: 0.4147101514079479
Energy: 0.4125864571809397
Energy: 0.44941607449922477
Energy: 0.4060461392304212
Energy: 0.44941607449922477
Energy: 0.41256958927030074
Energy: 0.40482525261770647
Energy: 0.40733915994876835
Energy: 0.4048252526171608
Energy: 0.4125696663369413
Energy: 0.4718884505921382
Energy: 0.40478461945633243
Energy: 0.4718884505921382
Energy: 0.4365334910051455
Energy: 0.47796175706881244
Energy: 0.41405272258019993
Energy: 0.4779617570685317
Energy: 0.41272514786268716
Energy: 0.44183788123733436
Energy: 0.41156210054880477
Energy: 0.4418378812371941
Energy: 0.41498887744093893
Energy: 0.44956185161485906
Energy: 0.412727464791787
Energy: 0.4495618516151398
Energy: 0.40445240700643353
Energy: 0.4148620576175721
Energy: 0.41254402649456684
Energy: 0.41486205761730705
Energy: 0.4046532619089284
Energy: 0.46971923034566876
Energy: 0.41397084855464666
Energy: 0.4697192303454037
Energy: 0.4127820543499742
Energy: 0.449559349465508
Energy: 0.41202276281362155
Energy: 0.4495593494648219
Energy: 0.4127310037175638
Energy: 0.4405647257083264
Energy: 0.41272649530819905
Energy: 0.4405647257087318
Energy: 0.43655881650145617
Energy: 0.4496280786888807
Energy: 0.41269912475228543
Energy: 0.44962807868860005

minimum gb energy = 0.4043551102332455 eV
minimum distance =  2.57023808708892 Angstroms
sigma value = 13


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

Energy: 0.4151095300846942
Energy: 0.40138654747413005
Energy: 0.5450308930998584
Energy: 0.40138654747697955
Energy: 0.4368456591529463
Energy: 0.5324536535903618
Energy: 0.39937400883151364
Energy: 0.5324536535955379
Energy: 0.39891263620961986
Energy: 0.4009874044038388
Energy: 0.47916263881790644
Energy: 0.40098740441131536
Energy: 0.4017420095453828
Energy: 0.40709796722179487
Energy: 0.39830247979814526
Energy: 0.4070979672206447
Energy: 0.40238378343969533
Energy: 0.4297568708968142
Energy: 0.4381188321614362
Energy: 0.4297568709042907
Energy: 0.46313138044212365
Energy: 0.4071505699768113
Energy: 0.4088871398945798
Energy: 0.40715056997796156
Energy: 0.402490225300342
Energy: 0.4523201959306689
Energy: 0.44308980970911976
Energy: 0.4523201959323943
Energy: 0.39834988514781683
Energy: 0.4073776327094885
Energy: 0.4088959516596701
Energy: 0.407377632707188
Energy: 0.4022732282414747
Energy: 0.4243009591485215
Energy: 0.4827062263385879
Energy: 0.42430095914737126
Energy: 0.4919290461354172
Energy: 0.43717422153561086
Energy: 0.3983816845574764
Energy: 0.4371742215384864
Energy: 0.4023332755030009
Energy: 0.4348702328810231
Energy: 0.4017857238757681
Energy: 0.43487023288217336
Energy: 0.44495037877520077
Energy: 0.4344504333328438
Energy: 0.3979929024642115
Energy: 0.43445043333571937
Energy: 0.41969491819163746
Energy: 0.4072480105153254
Energy: 0.4115146306483062
Energy: 0.40724801051590054
Energy: 0.5616501442228345
Energy: 0.43473588931637164
Energy: 0.3975590370407209
Energy: 0.43473588931407114
Energy: 0.40260983911823445
Energy: 0.39836762148920435
Energy: 0.4146703747023795
Energy: 0.3983676214897795
Energy: 0.40525784456530745
Energy: 0.43504488710202854
Energy: 0.398281677738761
Energy: 0.4350448870997281
Energy: 0.41205961587633966
Energy: 0.4258302839564168
Energy: 0.3997771418224011
Energy: 0.42583028395066563
Energy: 0.417236778821989
Energy: 0.4240548836522244
Energy: 0.40737265968377145
Energy: 0.42405488365337457
Energy: 0.4118838838333871
Energy: 0.4532210476399926
Energy: 0.40736494826099034
Energy: 0.4532210476399926
Energy: 0.4118212071626719
Energy: 0.45359487985111324
Energy: 0.40736190271163003
Energy: 0.4535948798476625
Energy: 0.41716141966300024
Energy: 0.4240795664196402
Energy: 0.407330581911151
Energy: 0.4240795664230647
Energy: 0.4121894108845962
Energy: 0.4258201241735016
Energy: 0.3994317775910034
Energy: 0.4258201241712011
Energy: 0.4052485714353088
Energy: 0.43554092759930074
Energy: 0.39904006882905574
Energy: 0.43554092760045093
Energy: 0.4024032969603881
Energy: 0.3984326044394814
Energy: 0.4043753712520665
Energy: 0.3984326044383312
Energy: 0.5616791996558588
Energy: 0.43472385773227235
Energy: 0.39764654975838093
Energy: 0.434723857725946
Energy: 0.4214073031856
Energy: 0.4074253696376156
Energy: 0.4041385178048522
Energy: 0.40742536963531506
Energy: 0.444871474845851
Energy: 0.43451706405822005
Energy: 0.3978662680648307
Energy: 0.43451706405822005
Energy: 0.40237116717087934
Energy: 0.43489164058476226
Energy: 0.40618250528856564
Energy: 0.4348916405824618
Energy: 0.49175343257939286
Energy: 0.43713215835772823
Energy: 0.3982412460815948
Energy: 0.4371321583571531
Energy: 0.40235688714053575
Energy: 0.42427417837396797
Energy: 0.4819556235560105
Energy: 0.4242741783728178
Energy: 0.39831622637306935
Energy: 0.40729560240168206
Energy: 0.4089376814103678
Energy: 0.4072956024011069
Energy: 0.40234519023166215
Energy: 0.4522363632166977
Energy: 0.5589094861790374
Energy: 0.4522363632166977
Energy: 0.46310915652846407
Energy: 0.4070175492209539
Energy: 0.4089979921366758
Energy: 0.40701754921922856
Energy: 0.4022053263539047
Energy: 0.4297936820920608
Energy: 0.4886624393979358
Energy: 0.4297936820868848
Energy: 0.4019294712456175
Energy: 0.40694469190195315
Energy: 0.3981096070945389
Energy: 0.4069446919002277

minimum gb energy = 0.3975590370407209 eV
minimum distance =  2.58413145571656 Angstroms
sigma value = 37


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

Energy: 0.45455525098988103
Energy: 0.3922426321101142
Energy: 0.392948171551572
Energy: 0.3922426321101142
Energy: 0.4835182036666105
Energy: 0.4293890961777296
Energy: 0.3783816712925409
Energy: 0.42938909617674015
Energy: 0.3795024613174311
Energy: 0.39924693083327717
Energy: 0.5291886152463366
Energy: 0.39924693083327717
Energy: 0.4401382980581007
Energy: 0.37937992091550565
Energy: 0.3774240676559606
Energy: 0.3793799209164952
Energy: 0.3766324293497972
Energy: 0.42966841191196997
Energy: 0.4277128042611818
Energy: 0.4296684119109805
Energy: 0.4005426418184909
Energy: 0.43011306203283206
Energy: 0.44242529004312253
Energy: 0.4301130620338215
Energy: 0.381995315543819
Energy: 0.45378580932255885
Energy: 0.48313538409945345
Energy: 0.45378580932255885
Energy: 0.37339014248666613
Energy: 0.3791965987257169
Energy: 0.38047278257909345
Energy: 0.3791965987276959
Energy: 0.37878010497998676
Energy: 0.4294950858355898
Energy: 0.43208993395358275
Energy: 0.4294950858355898
Energy: 0.5015646311084423
Energy: 0.399304187502395
Energy: 0.4425872388958862
Energy: 0.39930418750338453
Energy: 0.3767143717287132
Energy: 0.46094700864758503
Energy: 0.44000548712236953
Energy: 0.46094700864758503
Energy: 0.5111314987890088
Energy: 0.3792290158936075
Energy: 0.37808446948756186
Energy: 0.37922901589459695
Energy: 0.44382881839046695
Energy: 0.4300157262057839
Energy: 0.43319618239858665
Energy: 0.4300157262047944
Energy: 0.5688992397351036
Energy: 0.47919880436764994
Energy: 0.36833492761202047
Energy: 0.47919880436764994
Energy: 0.45445560769108695
Energy: 0.39633407357093325
Energy: 0.37313636735190564
Energy: 0.39633407357093325
Energy: 0.4580428707962253
Energy: 0.42942336489465927
Energy: 0.378361527649006
Energy: 0.42942336489465927
Energy: 0.44378371973693237
Energy: 0.42954704117982767
Energy: 0.3859822516582028
Energy: 0.42954704117982767
Energy: 0.44334414292619884
Energy: 0.4607579201545821
Energy: 0.37652275999447593
Energy: 0.4607579201545821
Energy: 0.3766555857212711
Energy: 0.37977072120697936
Energy: 0.3739941665734783
Energy: 0.37977072120697936
Energy: 0.3741686115572606
Energy: 0.4297416541394671
Energy: 0.44363285179999634
Energy: 0.42974165414045656

minimum gb energy = 0.36833492761202047 eV
minimum distance =  2.57990627923566 Angstroms
sigma value = 25


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

Energy: 0.3628235296165638
Energy: 0.44107653323946244
Energy: 0.3567056159269058
Energy: 0.44107653324023516
Energy: 0.4586031112902422
Energy: 0.44377029277309515
Energy: 0.34866500407266166
Energy: 0.44377029277309515
Energy: 0.34559587173192424
Energy: 0.3456915902073937
Energy: 0.4401682070995514
Energy: 0.34569159020662105
Energy: 0.393443395253739
Energy: 0.44197381385996676
Energy: 0.3486372229119803
Energy: 0.44197381385996676
Energy: 0.3482843826225648
Energy: 0.40649594626652885
Energy: 0.3431365633340049
Energy: 0.40649594626730146
Energy: 0.34507470765268666
Energy: 0.4426808061311651
Energy: 0.3486118558241076
Energy: 0.4426808061319378
Energy: 0.35036232628424047
Energy: 0.34622170872678937
Energy: 0.3936451120510008
Energy: 0.34622170872833463
Energy: 0.4394411752779151
Energy: 0.4160566845238471
Energy: 0.3467943957964284
Energy: 0.4160566845238471
Energy: 0.3483311965665892
Energy: 0.4074948711426879
Energy: 0.45844150603624245
Energy: 0.4074948711426879
Energy: 0.3453542644362904
Energy: 0.44135576832944035
Energy: 0.36388600328173387
Energy: 0.44135576832944035
Energy: 0.3500188929476431
Energy: 0.346144809091251
Energy: 0.5150064450122296
Energy: 0.34614480909202366
Energy: 0.4353173893079223
Energy: 0.42390986277701714
Energy: 0.34673441986700815
Energy: 0.42390986277624454
Energy: 0.34811743468690853
Energy: 0.4446223888867556
Energy: 0.4313072538581857
Energy: 0.4446223888867556
Energy: 0.4537644180578434
Energy: 0.4066288753358555
Energy: 0.34855497923014184
Energy: 0.4066288753358555
Energy: 0.35033349078458936
Energy: 0.3988927727778084
Energy: 0.3454346630446213
Energy: 0.3988927727770358
Energy: 0.3940982678936156
Energy: 0.42319980849375016
Energy: 0.34941098340007565
Energy: 0.42319980849375016
Energy: 0.34836684688197933
Energy: 0.41560692137274474
Energy: 0.34711394888636476
Energy: 0.4156069213719721
Energy: 0.43885200527340756
Energy: 0.3541857357994842
Energy: 0.348688974143505
Energy: 0.3541857357994842
Energy: 0.3656192082597426
Energy: 0.3976275369514251
Energy: 0.34546005532445573
Energy: 0.3976275369514251
Energy: 0.5162246635055129
Energy: 0.42377976587757826
Energy: 0.3494366829622624
Energy: 0.42377976587757826
Energy: 0.34839732737850865
Energy: 0.3938451394813962
Energy: 0.3541860739109782
Energy: 0.3938451394813962
Energy: 0.34597284047188365
Energy: 0.4424861419473977
Energy: 0.34859024048801013
Energy: 0.4424861419473977
Energy: 0.350109639573245
Energy: 0.3768361248480201
Energy: 0.4538748322250821
Energy: 0.3768361248487927
Energy: 0.3428459694058377
Energy: 0.4147229175907334
Energy: 0.34921068434398095
Energy: 0.4147229175907334
Energy: 0.34782828822143624
Energy: 0.41587266189724725
Energy: 0.45621365424160343
Energy: 0.41587266189956523
Energy: 0.342862007492331
Energy: 0.3634594272386907
Energy: 0.34570655304309533
Energy: 0.3634594272386907

minimum gb energy = 0.3428459694058377 eV
minimum distance =  2.59071275335832 Angstroms
sigma value = 41


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

Energy: 0.4862816704200722
Energy: 0.3315787435053691
Energy: 0.3354585565316937
Energy: 0.3315787435060025
Energy: 0.48001018668190876
Energy: 0.32499422951735935
Energy: 0.32327316002126744
Energy: 0.3249942295179929
Energy: 0.3291804321681748
Energy: 0.32261661388873675
Energy: 0.3271248636344446
Energy: 0.3226166138900037
Energy: 0.42086294123891826
Energy: 0.324598058866469
Energy: 0.32332791885774953
Energy: 0.3245980588658356
Energy: 0.3201726932103871
Energy: 0.3373509751808577
Energy: 0.3614125040779957
Energy: 0.33735097518402496
Energy: 0.3619503240468785
Energy: 0.3255887765363088
Energy: 0.3234778211496246
Energy: 0.3255887765369423
Energy: 0.32267109598332305
Energy: 0.32677834606018624
Energy: 0.3614584313979244
Energy: 0.32677834606018624
Energy: 0.32178566638741585
Energy: 0.331830151781584
Energy: 0.3208094712259455
Energy: 0.331830151781584
Energy: 0.3241952801205619
Energy: 0.3866153262738923
Energy: 0.4193344279827541
Energy: 0.3866153262738923
Energy: 0.3263312175947514
Energy: 0.32290995048389226
Energy: 0.3298879365300144
Energy: 0.32290995048138726
Energy: 0.3228756822245279
Energy: 0.3249037830785498
Energy: 0.48119193078272565
Energy: 0.3249037830791833
Energy: 0.32139629807506453
Energy: 0.3318040780383407
Energy: 0.48691168534333057
Energy: 0.33180407803770723
Energy: 0.3247303591625712
Energy: 0.3585268947981126
Energy: 0.5507542916051467
Energy: 0.3585268947981126
Energy: 0.3889551356330696
Energy: 0.34255842370788997
Energy: 0.3297614949478556
Energy: 0.3425584237085234
Energy: 0.3227030083266696
Energy: 0.3246583522381065
Energy: 0.4644058768886244
Energy: 0.324658352237473
Energy: 0.4151920736057595
Energy: 0.35810846104937105
Energy: 0.3208512301519252
Energy: 0.35810846104937105
Energy: 0.3248814135941439
Energy: 0.35536818354206484
Energy: 0.4351690107539535
Energy: 0.35536818354206484
Energy: 0.36320411569675287
Energy: 0.35661839168619563
Energy: 0.32338300263661207
Energy: 0.35661839168619563
Energy: 0.32281492674259465
Energy: 0.33159817307191797
Energy: 0.321566097983567
Energy: 0.33159817307128453
Energy: 0.3683873792341431
Energy: 0.38661151745075684
Energy: 0.3252571978206463
Energy: 0.38661151745139033
Energy: 0.3317438226193555
Energy: 0.3556787133992859
Energy: 0.32271780062994126
Energy: 0.3556787133992859
Energy: 0.5460859366502292
Energy: 0.39191854960377503
Energy: 0.3233261884932568
Energy: 0.39191854960377503
Energy: 0.48876530548769603
Energy: 0.33224729501654165
Energy: 0.32181030315276754
Energy: 0.33224729501780853
Energy: 0.4727804221324668
Energy: 0.3579210840139696
Energy: 0.32474044647323
Energy: 0.35792108401460304
Energy: 0.33169677960221294
Energy: 0.3856803480414666
Energy: 0.3236017160072869
Energy: 0.3856803480414666
Energy: 0.4641688085896205
Energy: 0.3379177444380876
Energy: 0.3233236627676421
Energy: 0.337917744438721
Energy: 0.3226566610868057
Energy: 0.3562686406524283
Energy: 0.4153765532512058
Energy: 0.35626864065119024
Energy: 0.32058436306206195
Energy: 0.35565198055239866
Energy: 0.3249539396272021
Energy: 0.3556519805530321
Energy: 0.32461200502424276
Energy: 0.33050259236590723
Energy: 0.410849439662565
Energy: 0.33050259236527374
Energy: 0.3216106410817017
Energy: 0.3716859430561414
Energy: 0.3241306626757278
Energy: 0.37168594305677494
Energy: 0.32208824396348523
Energy: 0.33175885648383835
Energy: 0.40394278461395466
Energy: 0.3317588564825715
Energy: 0.3200273864296305
Energy: 0.35543778574540114
Energy: 0.33289566448256086
Energy: 0.35543778574540114

minimum gb energy = 0.3200273864296305 eV
minimum distance =  2.58420700656454 Angstroms
sigma value = 15


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

Energy: 0.4434147059230758
Energy: 0.40763062834942365
Energy: 0.4742929691941847
Energy: 0.40763062834781383
Energy: 0.4949688793639764
Energy: 0.30950875567187053
Energy: 0.3066680624072332
Energy: 0.30950875567240715
Energy: 0.31468028975577866
Energy: 0.3064175621976669
Energy: 0.30804317975114515
Energy: 0.30641756219713023
Energy: 0.4399764882356783
Energy: 0.33145988124972026
Energy: 0.30672605855091367
Energy: 0.3314598812502568
Energy: 0.30471555078202706
Energy: 0.316175424099276
Energy: 0.30124437476097216
Energy: 0.316175424099276
Energy: 0.38888798659088275
Energy: 0.30672810876295786
Energy: 0.30683144566608606
Energy: 0.30672810876403106
Energy: 0.3062998766030157
Energy: 0.31048096356935406
Energy: 0.3353639567647012
Energy: 0.31048096356935406
Energy: 0.3374700234192207
Energy: 0.3105940578143901
Energy: 0.30658751165606907
Energy: 0.31059405781385346
Energy: 0.3079984328464686
Energy: 0.33580934142801644
Energy: 0.4163023793724624
Energy: 0.3358093414274798
Energy: 0.300911475995834
Energy: 0.32760315817374436
Energy: 0.3051522326024017
Energy: 0.32760315817374436
Energy: 0.3063303307199018
Energy: 0.3073775111931272
Energy: 0.4396582204669503
Energy: 0.3073775111925906
Energy: 0.3044604930347655
Energy: 0.3065934582346801
Energy: 0.3150774527827001
Energy: 0.3065934582346801
Energy: 0.30791573347930207
Energy: 0.3149924340281157
Energy: 0.49480151151090085
Energy: 0.31499243402865235
Energy: 0.3018485245547819
Energy: 0.4079100313180554
Energy: 0.4437537766831126
Energy: 0.40791003131859205
Energy: 0.3063232625083926
Energy: 0.30943092508506853
Energy: 0.5453899347895408
Energy: 0.3094309250856052
Energy: 0.3552367798382466
Energy: 0.30667965407642755
Energy: 0.31493384276643777
Energy: 0.3066796540775008
Energy: 0.3078111090255821
Energy: 0.41027401543612635
Energy: 0.48961850856976447
Energy: 0.4102740154355897
Energy: 0.3824853830369084
Energy: 0.31596445059476114
Energy: 0.30508715765693223
Energy: 0.3159644505936879
Energy: 0.30644130575818657
Energy: 0.30632872127952787
Energy: 0.4232226583347034
Energy: 0.3063287212811377
Energy: 0.337564224266875
Energy: 0.30704743174401533
Energy: 0.306687199911134
Energy: 0.30704743174294213
Energy: 0.3078632997860002
Energy: 0.37429710700259333
Energy: 0.36349473371205965
Energy: 0.37429710700205665
Energy: 0.37438663115601273
Energy: 0.3366589923823217
Energy: 0.31012308249360715
Energy: 0.3366589923823217
Energy: 0.3064285192835129
Energy: 0.30704339990155916
Energy: 0.30125360979109894
Energy: 0.3070433999004859
Energy: 0.4971970328955893
Energy: 0.3068092693665397
Energy: 0.3068644159723303
Energy: 0.3068092693665397
Energy: 0.31627990248565596
Energy: 0.37327770138201627
Energy: 0.30453410624973776
Energy: 0.37327770138201627
Energy: 0.49073192612611555
Energy: 0.30980966964458617
Energy: 0.3096445707231749
Energy: 0.3098096696451228
Energy: 0.4452753378983551
Energy: 0.30863890389235854
Energy: 0.3019105029320722
Energy: 0.30863890389289517
Energy: 0.5442905799718628
Energy: 0.3065320853393602
Energy: 0.30676863841751967
Energy: 0.30653208533989684
Energy: 0.3162976678275381
Energy: 0.338035027879159
Energy: 0.30465260395860466
Energy: 0.338035027879159
Energy: 0.4259231266416582
Energy: 0.40880255068032173
Energy: 0.3097907641464388
Energy: 0.4088025506797851
Energy: 0.3062560834526148
Energy: 0.3278736179389585
Energy: 0.38279800589206436
Energy: 0.32787361794003167
Energy: 0.4328525068010943
Energy: 0.3088997056351932
Energy: 0.3068344247324645
Energy: 0.3088997056346566
Energy: 0.30781146036966706
Energy: 0.337412572747177
Energy: 0.3801349403391096
Energy: 0.3374125727466404
Energy: 0.30007564566261363
Energy: 0.31615974931655205
Energy: 0.30981147534093917
Energy: 0.3161597493160154
Energy: 0.3059973566629752
Energy: 0.3060019585679899
Energy: 0.37470439971810465
Energy: 0.30600195856745327
Energy: 0.3024140450707395
Energy: 0.3088491996584529
Energy: 0.3083201608985606
Energy: 0.3088491996573797
Energy: 0.30783864834686386
Energy: 0.3373446799108445
Energy: 0.5003011676477984
Energy: 0.3373446799092346

minimum gb energy = 0.30007564566261363 eV
minimum distance =  2.57906878276523 Angstroms
sigma value = 85


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

Energy: 0.44827364071693593
Energy: 0.3418336482953886
Energy: 0.2832865586838867
Energy: 0.3418336482939923
Energy: 0.5298753742029166
Energy: 0.29729782447854064
Energy: 0.28121743073231276
Energy: 0.2972978244780752
Energy: 0.4335190395828821
Energy: 0.2986653735394142
Energy: 0.32126735361951736
Energy: 0.2986653735375526
Energy: 0.48125288133003985
Energy: 0.29410727259382663
Energy: 0.2812060023615347
Energy: 0.29410727259336117
Energy: 0.32216167481340646
Energy: 0.2850116708030137
Energy: 0.333887365915637
Energy: 0.28501167080254836
Energy: 0.4368345096542989
Energy: 0.2975891177797521
Energy: 0.2817211082866741
Energy: 0.2975891177797521
Energy: 0.3095387891459419
Energy: 0.3003660406682662
Energy: 0.3628262582972201
Energy: 0.3003660406682662
Energy: 0.3956034250216011
Energy: 0.2922111206820511
Energy: 0.28428869855174305
Energy: 0.2922111206820511
Energy: 0.2838487571641303
Energy: 0.28529278305491357
Energy: 0.40053184478175163
Energy: 0.28529278305537903
Energy: 0.35653022774356585
Energy: 0.2991734422052102
Energy: 0.3100284626986658
Energy: 0.2991734422042794
Energy: 0.2820002901758253
Energy: 0.29316343215646085
Energy: 0.43637073058654013
Energy: 0.29316343215785706
Energy: 0.3006120531463599
Energy: 0.2980329457461835
Energy: 0.32267873690854015
Energy: 0.2980329457438564
Energy: 0.28113311155312226
Energy: 0.28543427051121095
Energy: 0.5042119443771085
Energy: 0.2854342705116764
Energy: 0.2798931517050611
Energy: 0.298746150836169
Energy: 0.43394373440966566
Energy: 0.2987461508352382
Energy: 0.28178437126625167
Energy: 0.29327135975847307
Energy: 0.5308714656910719
Energy: 0.29327135975847307
Energy: 0.2744519424699457
Energy: 0.2966175320445857
Energy: 0.41427060632323925
Energy: 0.2966175320441203
Energy: 0.28099291103419355
Energy: 0.28656938245511304
Energy: 0.5343797845407955
Energy: 0.2865693824541822
Energy: 0.321633699745509
Energy: 0.29862912305441053
Energy: 0.4339198001931455
Energy: 0.2986291230539451
Energy: 0.2819373237886279
Energy: 0.294034169004228
Energy: 0.5101653685710325
Energy: 0.29403416900515883
Energy: 0.3466754274777986
Energy: 0.3922725937927535
Energy: 0.3226501284367819
Energy: 0.3922725937932189
Energy: 0.2818833211651604
Energy: 0.28918813172213054
Energy: 0.45931078730072344
Energy: 0.28918813172166513
Energy: 0.3629635917804001
Energy: 0.2930368620973598
Energy: 0.3099852921331892
Energy: 0.29303686209689433
Energy: 0.2851346995816247
Energy: 0.292249505407933
Energy: 0.40647314053992134
Energy: 0.2922495054083984
Energy: 0.35179947384119803
Energy: 0.3032680583894268
Energy: 0.28441347040099035
Energy: 0.30326805838849596
Energy: 0.31125657624064584
Energy: 0.2936637971833836
Energy: 0.35489239025885916
Energy: 0.29366379718384894
Energy: 0.47049084840182565
Energy: 0.29312208371329024
Energy: 0.2813162372794827
Energy: 0.29312208371329024
Energy: 0.3239980102253645
Energy: 0.29193317035745725
Energy: 0.3021874984836561
Energy: 0.29193317035652644
Energy: 0.47464334576396755
Energy: 0.30324813528641503
Energy: 0.2817184351508781
Energy: 0.3032481352868804
Energy: 0.43512976070830206
Energy: 0.29860507559366706
Energy: 0.33049870758193084
Energy: 0.29860507559366706
Energy: 0.5592759674410768
Energy: 0.2928613763871455
Energy: 0.2810950786816853
Energy: 0.2928613763857493
Energy: 0.4498642614648841
Energy: 0.29727391570960937
Energy: 0.2755446933377744
Energy: 0.29727391570960937
Energy: 0.5187636295975995
Energy: 0.30550799805645895
Energy: 0.28130786439262523
Energy: 0.30550799805785517
Energy: 0.4350804442390426
Energy: 0.29870723311413505
Energy: 0.27940315209858
Energy: 0.29870723311366965
Energy: 0.510040229555618
Energy: 0.2935529747287326
Energy: 0.2811091810182139
Energy: 0.2935529747282672
Energy: 0.32395630330928876
Energy: 0.3507958745046212
Energy: 0.34678371492322413
Energy: 0.3507958745023153
Energy: 0.4102351928739696
Energy: 0.3057163904703946
Energy: 0.28230493343219465
Energy: 0.3057163904713254
Energy: 0.31124537587669643
Energy: 0.29294341153296105
Energy: 0.3722045223466213
Energy: 0.29294341153156483
Energy: 0.40631728917622933
Energy: 0.29257819681865604
Energy: 0.2836501698297324
Energy: 0.2925781968205177
Energy: 0.28485922041465267
Energy: 0.2922168019454051
Energy: 0.3692009929824746
Energy: 0.2922168019458706
Energy: 0.3025608949640035
Energy: 0.3100490364130652
Energy: 0.3097249117381859
Energy: 0.3100490364130652
Energy: 0.28148878093184854
Energy: 0.29291364566975103
Energy: 0.47293213548387847
Energy: 0.29291364566975103
Energy: 0.30352364089380307
Energy: 0.29196982764824525
Energy: 0.3224342924433537
Energy: 0.29196982764871066
Energy: 0.28147864446261756
Energy: 0.2925296752025157
Energy: 0.4781646061283512
Energy: 0.2925296752020503

minimum gb energy = 0.2744519424699457 eV
minimum distance =  2.59009597705319 Angstroms
sigma value = 113


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

Energy: 0.009231898442997336
Energy: 0.009897469309602235
Energy: 0.4139927751820357
Energy: 0.009897469308906545
Energy: 0.41367550633594213
Energy: 0.16786194044177077
Energy: 0.1677886260176894
Energy: 0.16786194044282424
Energy: 0.009231898442997336
Energy: 0.009897469309940142
Energy: 0.4139927751834271
Energy: 0.009897469309244452
Energy: 0.41367550633594213
Energy: 0.16786194044143285
Energy: 0.1677886290263128
Energy: 0.16786194044246644
Energy: 0.009231898442997336
Energy: 0.009897469309602235
Energy: 0.4139927751827314
Energy: 0.009897469309244452
Energy: 0.41367550633558436
Energy: 0.16786194044143285
Energy: 0.16778863368855304
Energy: 0.16786194044282424

minimum gb energy = 0.009231898442997336 eV
minimum distance =  2.8223865917817 Angstroms
sigma value = 1