Model name: model_name=EAM_IMD_BrommerGaehler_2006B_AlNiCo__MO_128037485276_003
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=4.073718130588532
cohesive_energy=3.2103875034027074
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: 0.143095413925774 eV

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

Energy: 0.00977190528592161
Energy: 0.010219501358216337
Energy: 73.2423837948942
Energy: 0.010219501358216337
Energy: 0.010219501358216337
Energy: 0.23966390724503722
Energy: 0.010219501358216337
Energy: 0.23966390724503722
Energy: 73.2423837948942
Energy: 0.010219501358216337
Energy: 0.009771905286415526
Energy: 0.010219501358216337
Energy: 0.010219501358216337
Energy: 0.2396639072455037
Energy: 0.010219501358216337
Energy: 0.2396639072455037

minimum gb energy = 0.00977190528592161 eV
minimum distance =  2.76999587574861 Angstroms
sigma value = 1


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

Energy: 0.4430643829148551
Energy: 0.40364943826873617
Energy: 0.47344249192249593
Energy: 0.40364943826873617
Energy: 0.4337806383972118
Energy: 0.420493910283868
Energy: 0.42165097930216766
Energy: 0.42049391028446703
Energy: 0.4114592485745392
Energy: 0.3931526029043848
Energy: 0.4261291459597467
Energy: 0.3931526029043848
Energy: 0.41500779190692466
Energy: 0.4148539744293612
Energy: 0.41408082798428536
Energy: 0.4148539744281632
Energy: 0.4158013018872184
Energy: 0.40441607395948476
Energy: 0.43046531325491005
Energy: 0.4044160739588857
Energy: 0.4140078126743861
Energy: 0.40108106684541345
Energy: 0.3989963316825445
Energy: 0.40108106684541345
Energy: 0.42141604387424747
Energy: 0.3936123226324488
Energy: 0.41469958321007777
Energy: 0.3936123226324488
Energy: 0.39909759852487636
Energy: 0.40438092695828814
Energy: 0.39675322248579215
Energy: 0.4043809269570901
Energy: 0.4141849579267765
Energy: 0.4220702516611082
Energy: 0.4259508074112862
Energy: 0.4220702516599102
Energy: 0.39893422570876524
Energy: 0.3928753827214975
Energy: 0.39477853060346013
Energy: 0.3928753827214975
Energy: 0.42237205135167377
Energy: 0.4192519630484171
Energy: 0.4142561372764263
Energy: 0.41925196304901613
Energy: 0.43568636050298154
Energy: 0.40412069499062314
Energy: 0.40694475016005305
Energy: 0.40412069499062314
Energy: 0.4205839070464434
Energy: 0.3932143334985129
Energy: 0.43574695684080805
Energy: 0.3932143334979139
Energy: 0.4233395754490266
Energy: 0.4013706544961218
Energy: 0.40938849267569194
Energy: 0.4013706544949238
Energy: 0.431010792873124
Energy: 0.4046003844576564
Energy: 0.42060786677179307
Energy: 0.40460038445825547
Energy: 0.42916603287158755
Energy: 0.40482064199135553
Energy: 0.424898513503119
Energy: 0.4048206419919545
Energy: 0.425890372835894
Energy: 0.3932523820070221
Energy: 0.4035071961796243
Energy: 0.39325238200582413
Energy: 0.42165533797900473
Energy: 0.4131843635743739
Energy: 0.4341588246309672
Energy: 0.41318436357497285
Energy: 0.3961811603277371
Energy: 0.4040328990339136
Energy: 0.4066710920253548
Energy: 0.4040328990339136
Energy: 0.43443933716164534
Energy: 0.4194932905292715
Energy: 0.4151640209949371
Energy: 0.41949329052987044
Energy: 0.3984782023473982
Energy: 0.39309892823815024
Energy: 0.39414828919819794
Energy: 0.39309892823874926
Energy: 0.4141144056678104
Energy: 0.41504891915183456
Energy: 0.4262756213401724
Energy: 0.41504891915183456
Energy: 0.42490902972205224
Energy: 0.4046076212607877
Energy: 0.4068484457378498
Energy: 0.4046076212607877
Energy: 0.41818750837974256
Energy: 0.3940742097237007
Energy: 0.41393810094296346
Energy: 0.3940742097242998
Energy: 0.41442557479155484
Energy: 0.4012202462922707
Energy: 0.435171038628191
Energy: 0.40122024629286973
Energy: 0.4176594131448693
Energy: 0.4044479814115254
Energy: 0.40776004665519816
Energy: 0.4044479814115254
Energy: 0.4150978296384372
Energy: 0.42424714936704183
Energy: 0.41411246707591776
Energy: 0.42424714936764085
Energy: 0.40541767342351126
Energy: 0.3929506140056084
Energy: 0.4309960334739236
Energy: 0.3929506140056084
Energy: 0.43367929274670736
Energy: 0.4045282343349647
Energy: 0.41850581547004295
Energy: 0.40452823433616275
Energy: 0.4430951159881156
Energy: 0.403687653959132
Energy: 0.4367366729651192
Energy: 0.4036876539603301
Energy: 0.43504954172108423
Energy: 0.4002748944417912
Energy: 0.42054328749112346
Energy: 0.40027489444239023
Energy: 0.42028419957102
Energy: 0.39336363761579307
Energy: 0.4231615332336924
Energy: 0.39336363761579307
Energy: 0.4159064902451262
Energy: 0.4144620534971111
Energy: 0.41512918545426186
Energy: 0.41446205349771015

minimum gb energy = 0.3928753827214975 eV
minimum distance =  2.64798585661547 Angstroms
sigma value = 1


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

Energy: 0.4542570332764218
Energy: 0.4347539646398281
Energy: 0.49903430428866663
Energy: 0.4347539646398281
Energy: 0.4394057709013687
Energy: 0.44044997355981463
Energy: 0.43304891134593093
Energy: 0.44044997356118054
Energy: 0.4304992051784369
Energy: 0.4349140410830261
Energy: 0.4325989616792042
Energy: 0.4349140410830261
Energy: 0.4189132427994824
Energy: 0.42822032210621647
Energy: 0.42394299032238225
Energy: 0.4282203221048505
Energy: 0.4189404816909369
Energy: 0.4190135021613419
Energy: 0.4359094790133153
Energy: 0.4190135021647568
Energy: 0.4626747734062116
Energy: 0.41920561102877574
Energy: 0.450446270255062
Energy: 0.4192056110294587
Energy: 0.43924561870781376
Energy: 0.4287860898112664
Energy: 0.423839074921585
Energy: 0.4287860898105834
Energy: 0.40811490058157546
Energy: 0.43490765206650384
Energy: 0.41313629992514833
Energy: 0.4349076520658209
Energy: 0.41922417359716335
Energy: 0.44369775431551395
Energy: 0.43292506291303273
Energy: 0.44369775431483094
Energy: 0.41770341288357954
Energy: 0.4349580654271278
Energy: 0.4101739321065949
Energy: 0.4349580654284937
Energy: 0.4391753411117284
Energy: 0.43175468761069563
Energy: 0.43328419898250914
Energy: 0.43175468761069563
Energy: 0.41354048207086314
Energy: 0.4260970175174528
Energy: 0.4373698129910035
Energy: 0.42609701752018475
Energy: 0.44388462632205405
Energy: 0.4193278401784506
Energy: 0.4383911866049975
Energy: 0.4193278401791336
Energy: 0.44364059327699373
Energy: 0.4192122772975874
Energy: 0.4356485760036573
Energy: 0.4192122772982704
Energy: 0.4134609871504608
Energy: 0.4260152239301162
Energy: 0.43266325425658364
Energy: 0.42601522393148217
Energy: 0.43922769395021843
Energy: 0.43184155887470055
Energy: 0.4333167192616903
Energy: 0.4318415588774325
Energy: 0.4177102935678383
Energy: 0.43513746490380334
Energy: 0.4114679638090882
Energy: 0.4351374649003884
Energy: 0.4193787474930825
Energy: 0.443941327132121
Energy: 0.43292681798178334
Energy: 0.44394132713075507
Energy: 0.4079564672394616
Energy: 0.4348954880222619
Energy: 0.4146516962388143
Energy: 0.4348954880236279
Energy: 0.43923694601589675
Energy: 0.42844653019262197
Energy: 0.42686910900169367
Energy: 0.42844653019330486
Energy: 0.4626611202028453
Energy: 0.41920546881446225
Energy: 0.41257697181567016
Energy: 0.4192054688171941
Energy: 0.41892362080331375
Energy: 0.4192097901111849
Energy: 0.42544331121730666
Energy: 0.4192097901132339
Energy: 0.4188867702734648
Energy: 0.42862237693900396
Energy: 0.4239388791313552
Energy: 0.4286223769396869
Energy: 0.43054614571455335
Energy: 0.4348689143503457
Energy: 0.4326136928272764
Energy: 0.4348689143503457
Energy: 0.4394576686451085
Energy: 0.44040467925214194
Energy: 0.43292549697113597
Energy: 0.440404679251459
Energy: 0.4542570332757389
Energy: 0.4347539646398281
Energy: 0.46725347454166066
Energy: 0.4347539646398281
Energy: 0.4394057709013687
Energy: 0.44044997355981463
Energy: 0.43304891134593093
Energy: 0.44044997356118054
Energy: 0.4304992051784369
Energy: 0.4349140410830261
Energy: 0.43178010947201173
Energy: 0.4349140410830261
Energy: 0.4189132427994824
Energy: 0.42822032210621647
Energy: 0.42408015283164574
Energy: 0.4282203221041675

minimum gb energy = 0.4079564672394616 eV
minimum distance =  2.56042266724417 Angstroms
sigma value = 25


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

Energy: 0.45727593126646227
Energy: 0.44446167012351934
Energy: 0.5278432337245922
Energy: 0.44446167012351934
Energy: 0.4622431991008291
Energy: 0.4573555575327323
Energy: 0.4374160606495732
Energy: 0.4573555575327323
Energy: 0.4499731231354101
Energy: 0.46954877335937234
Energy: 0.4371138120823556
Energy: 0.46954877335937234
Energy: 0.4332275077041535
Energy: 0.45678983560234965
Energy: 0.4357703774385946
Energy: 0.45678983560234965
Energy: 0.43702515637613987
Energy: 0.44519753016097285
Energy: 0.45579494734492343
Energy: 0.44519753016097285
Energy: 0.4870749737811092
Energy: 0.46981033120586285
Energy: 0.5142061687069438
Energy: 0.46981033120586285
Energy: 0.4631447367649871
Energy: 0.4405242392628977
Energy: 0.4539879138922923
Energy: 0.4405242392628977
Energy: 0.5276839614840031
Energy: 0.44480505423528544
Energy: 0.43101448746046894
Energy: 0.44480505423528544
Energy: 0.4540314076132004
Energy: 0.44280084285445076
Energy: 0.4380573576820744
Energy: 0.4428008428536568
Energy: 0.4388160993685334
Energy: 0.46985535437805054
Energy: 0.4297149770629261
Energy: 0.46985535437805054
Energy: 0.4556388697187856
Energy: 0.44477598399649915
Energy: 0.43690573592968635
Energy: 0.44477598399649915
Energy: 0.4368684412819578
Energy: 0.44495194609004957
Energy: 0.4365967711912537
Energy: 0.44495194609004957
Energy: 0.43706165057220536
Energy: 0.457889954965832
Energy: 0.43025834940947955
Energy: 0.457889954965832
Energy: 0.45516429627004557
Energy: 0.4503104245957985
Energy: 0.4623204528889083
Energy: 0.45031042459500453
Energy: 0.4247897133673226
Energy: 0.4449038167567432
Energy: 0.4300828561130256
Energy: 0.4449038167567432
Energy: 0.4373046225293366
Energy: 0.4397917818344646
Energy: 0.43587400977321605
Energy: 0.4397917818344646
Energy: 0.42251796854323964
Energy: 0.4694857339722755
Energy: 0.4208516068825519
Energy: 0.4694857339722755
Energy: 0.43578992597361965
Energy: 0.4455648072075993
Energy: 0.45486427274672014
Energy: 0.4455648072075993
Energy: 0.4322430502304282
Energy: 0.4571650343199737
Energy: 0.43655228231351834
Energy: 0.4571650343199737
Energy: 0.46561488861981076
Energy: 0.46977571394423445
Energy: 0.43739853029289955
Energy: 0.46977571394423445
Energy: 0.4443351017544523
Energy: 0.4414101827193136
Energy: 0.43933700171133866
Energy: 0.4414101827193136
Energy: 0.45703732240940825
Energy: 0.4447364447833708
Energy: 0.4820440344342131
Energy: 0.4447364447841647
Energy: 0.4627655141286476
Energy: 0.44793510820427795
Energy: 0.43741778852560337
Energy: 0.4479351082050719
Energy: 0.43042427795602356
Energy: 0.46932713387993663
Energy: 0.43873870123915537
Energy: 0.46932713387914266
Energy: 0.4368554261891284
Energy: 0.45725185433959376
Energy: 0.43540583218929363
Energy: 0.4572518543403876

minimum gb energy = 0.4208516068825519 eV
minimum distance =  2.57039363998846 Angstroms
sigma value = 9


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

Energy: 0.46963831482664964
Energy: 0.46953384301280593
Energy: 0.5464106599966004
Energy: 0.46953384301375306
Energy: 0.4661663947781794
Energy: 0.474288174269295
Energy: 0.45484816869921463
Energy: 0.4742881742702421
Energy: 0.46796315867592747
Energy: 0.46974849092101
Energy: 0.45470878343277715
Energy: 0.46974849092290427
Energy: 0.46050798902421414
Energy: 0.4953063393470363
Energy: 0.44715960330783133
Energy: 0.4953063393470363
Energy: 0.5194297085940198
Energy: 0.4721920041172112
Energy: 0.4548561899737557
Energy: 0.4721920041172112
Energy: 0.4307029081783882
Energy: 0.47821962690714587
Energy: 0.4849390136615634
Energy: 0.47821962690714587
Energy: 0.46047881155523157
Energy: 0.47611093566546697
Energy: 0.446555553831607
Energy: 0.47611093566546697
Energy: 0.49120661860464876
Energy: 0.4781099344300958
Energy: 0.445349019444007
Energy: 0.4781099344291487
Energy: 0.45990465148487286
Energy: 0.473924740670355
Energy: 0.45497671545097623
Energy: 0.4739247406694294
Energy: 0.4619426186264828
Energy: 0.4777741290585696
Energy: 0.44989944791823766
Energy: 0.4777741290576224
Energy: 0.4453524583829793
Energy: 0.4708691921636294
Energy: 0.4537350600681639
Energy: 0.47086919216268225
Energy: 0.4603855127206895
Energy: 0.46930784033322714
Energy: 0.4474517522832392
Energy: 0.46930784033227996
Energy: 0.43050383810664494
Energy: 0.46970007559599797
Energy: 0.4915406953604044
Energy: 0.46970007559599797
Energy: 0.48058897917537435
Energy: 0.4611345694803244
Energy: 0.45495455806094715
Energy: 0.46113456947937725
Energy: 0.4305044938502263
Energy: 0.46977753066964173
Energy: 0.4910812485552751
Energy: 0.4697775306687161
Energy: 0.46039074047184925
Energy: 0.4691843941926295
Energy: 0.44695330788213944
Energy: 0.4691843941926295
Energy: 0.4453031902813467
Energy: 0.4707896396509822
Energy: 0.45472496539301516
Energy: 0.4707896396500351
Energy: 0.46162629954797185
Energy: 0.4777913871031584
Energy: 0.44988071770296717
Energy: 0.4777913871031584
Energy: 0.4598892167706254
Energy: 0.47392111427475025
Energy: 0.4549361078683785
Energy: 0.4739211142756974
Energy: 0.4912074873293691
Energy: 0.4781681653900077
Energy: 0.4453284699360804
Energy: 0.4781681653900077
Energy: 0.4604229909292975
Energy: 0.4782157307264442
Energy: 0.4465432212897711
Energy: 0.4782157307264442

minimum gb energy = 0.43050383810664494 eV
minimum distance =  2.56724311942492 Angstroms
sigma value = 25


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

Energy: 0.45417166930345115
Energy: 0.4878534499469608
Energy: 0.58608733675521
Energy: 0.4878534499469608
Energy: 0.4415666935053328
Energy: 0.4990444999073434
Energy: 0.4353115270865791
Energy: 0.4990444999073434
Energy: 0.4360341288904786
Energy: 0.5105157413180293
Energy: 0.43539644560593427
Energy: 0.5105157413180293
Energy: 0.4546437301930337
Energy: 0.4917313940306779
Energy: 0.516204954412315
Energy: 0.4917313940306779
Energy: 0.5151752363252817
Energy: 0.4712738709335906
Energy: 0.4363715157225393
Energy: 0.4712738709335906
Energy: 0.43607988267348696
Energy: 0.5113714242282292
Energy: 0.43571136830458973
Energy: 0.5113714242282292
Energy: 0.43624668464580074
Energy: 0.4691596140788021
Energy: 0.43672147722371685
Energy: 0.4691596140788021
Energy: 0.5120824417952548
Energy: 0.48827303781978937
Energy: 0.45514566660370265
Energy: 0.48827303781978937
Energy: 0.4354259615351795
Energy: 0.47489201939523584
Energy: 0.44254073481282996
Energy: 0.47489201939523584
Energy: 0.538339837567945
Energy: 0.5114671245994447
Energy: 0.43628904080963415
Energy: 0.5114671245982734
Energy: 0.4362509871266954
Energy: 0.48912781480465023
Energy: 0.590435853007429
Energy: 0.48912781480465023
Energy: 0.4361188441813721
Energy: 0.4863260990709454
Energy: 0.5392177149155463
Energy: 0.4863260990709454
Energy: 0.510518335659501
Energy: 0.509654507392551
Energy: 0.4348242883266493
Energy: 0.509654507392551
Energy: 0.4358380016783864
Energy: 0.4906179770961099
Energy: 0.45413763347211367
Energy: 0.4906179770949386
Energy: 0.43601067689482026
Energy: 0.48768246770966767
Energy: 0.5126219687269873
Energy: 0.48768246770966767
Energy: 0.444181405966732
Energy: 0.5114094259760118
Energy: 0.4359883717028502
Energy: 0.511409425977183
Energy: 0.4380431057477263
Energy: 0.4684258017405082
Energy: 0.537765593829497
Energy: 0.4684258017405082

minimum gb energy = 0.4348242883266493 eV
minimum distance =  2.63885181369554 Angstroms
sigma value = 17


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

Energy: 0.48382546272156296
Energy: 0.4850548999924534
Energy: 0.6141528470633301
Energy: 0.48505489999311674
Energy: 0.510181214244235
Energy: 0.4819026131088261
Energy: 0.4430347884359933
Energy: 0.48190261310816274
Energy: 0.5039592012102163
Energy: 0.47969451477017516
Energy: 0.4474815988074891
Energy: 0.47969451477017516
Energy: 0.4436053125088855
Energy: 0.48682731990518835
Energy: 0.48719827673215954
Energy: 0.48682731990518835
Energy: 0.5206817141118995
Energy: 0.47321214561496544
Energy: 0.4659679071449314
Energy: 0.4732121456136388
Energy: 0.4504526514346526
Energy: 0.48812070862660173
Energy: 0.5040182366028777
Energy: 0.488120708625275
Energy: 0.44466009131594375
Energy: 0.4817599767581826
Energy: 0.44405171155642803
Energy: 0.4817599767588459
Energy: 0.5194607292407811
Energy: 0.48630356374484673
Energy: 0.45286028690878644
Energy: 0.48630356374484673
Energy: 0.45130113901059643
Energy: 0.49348698532028856
Energy: 0.5354185542170717
Energy: 0.4934869853209519
Energy: 0.5642158428946656
Energy: 0.48165342175449144
Energy: 0.446011270675912
Energy: 0.48165342175449144
Energy: 0.44406029743035247
Energy: 0.4903813091185979
Energy: 0.5045570679347763
Energy: 0.4903813091185979
Energy: 0.45316895695346965
Energy: 0.48109079007361577
Energy: 0.45319638850336663
Energy: 0.48109079007361577
Energy: 0.48753640802408493
Energy: 0.48521833093485045
Energy: 0.48300244516209045
Energy: 0.48521833093485045
Energy: 0.44629686108205396
Energy: 0.5219696795390139
Energy: 0.5095024427382648
Energy: 0.5219696795396773
Energy: 0.494426727846254
Energy: 0.48219624546738016
Energy: 0.4517771306296195
Energy: 0.4821962454687069
Energy: 0.5055671680685787
Energy: 0.4867032966768294
Energy: 0.5204472441713213
Energy: 0.4867032966748393
Energy: 0.44400805147489686
Energy: 0.49210864301838364
Energy: 0.5508522243836246
Energy: 0.49210864301838364
Energy: 0.5000606564457419
Energy: 0.47910355782452557
Energy: 0.4503803774085709
Energy: 0.4791035578238622
Energy: 0.4765174710817744
Energy: 0.49373458761151384
Energy: 0.4708872885835776
Energy: 0.49373458761151384
Energy: 0.4441612773439808
Energy: 0.4906304610236651
Energy: 0.44363405471629297
Energy: 0.4906304610236651
Energy: 0.4836553263830113
Energy: 0.479856831419512
Energy: 0.5216320628519423
Energy: 0.47985683141884866
Energy: 0.4436409647836476
Energy: 0.5294760937335345
Energy: 0.5650350338724218
Energy: 0.5294760937335345
Energy: 0.4838063184940893
Energy: 0.4907247410846913
Energy: 0.4428303145630068
Energy: 0.4907247410846913
Energy: 0.4508933986557538
Energy: 0.4946856942046097
Energy: 0.5037558112688275
Energy: 0.4946856942046097
Energy: 0.4513602704943823
Energy: 0.4833740648128912
Energy: 0.5038332988538597
Energy: 0.4833740648135546
Energy: 0.5308948371060639
Energy: 0.49091352414120876
Energy: 0.44303531875524255
Energy: 0.49091352414120876
Energy: 0.44346071061587466
Energy: 0.5311007938693851
Energy: 0.5797618710765148
Energy: 0.5311007938693851
Energy: 0.5050679540799584
Energy: 0.4879643477809215
Energy: 0.5229637833928871
Energy: 0.4879643477815849
Energy: 0.550598431194809
Energy: 0.48939416362210775
Energy: 0.44464620614237926
Energy: 0.48939416362210775
Energy: 0.4528153713486952
Energy: 0.4933095497172209
Energy: 0.5013738188570668
Energy: 0.4933095497178843

minimum gb energy = 0.4428303145630068 eV
minimum distance =  2.53879636361241 Angstroms
sigma value = 53


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

Energy: 0.41008328368464797
Energy: 0.41024570688069645
Energy: 0.6292127968844153
Energy: 0.41024570688222367
Energy: 0.4998975948140799
Energy: 0.4457253486013526
Energy: 0.43743557674712186
Energy: 0.4457253485998428
Energy: 0.41074810306594894
Energy: 0.4107771451538976
Energy: 0.4197191909917186
Energy: 0.41077714515542474
Energy: 0.4111063585599422
Energy: 0.41090558576153113
Energy: 0.41978291374522303
Energy: 0.41090558576000397
Energy: 0.5002463975096877
Energy: 0.44572472977447447
Energy: 0.43732782058171826
Energy: 0.44572472977447447
Energy: 0.4100832836831208
Energy: 0.41024570688069645
Energy: 0.6292127968844153
Energy: 0.41024570688222367
Energy: 0.49989759481560714
Energy: 0.4457253485998428
Energy: 0.43743557674712186
Energy: 0.4457253485998428
Energy: 0.41074810306594894
Energy: 0.4107771451538976
Energy: 0.4197191909917186
Energy: 0.41077714515542474
Energy: 0.4111063585599422
Energy: 0.41090558576153113
Energy: 0.41978291374522303
Energy: 0.41090558576000397
Energy: 0.5002463975096877
Energy: 0.44572472977447447
Energy: 0.43732782058171826
Energy: 0.44572472977447447
Energy: 0.41008328368464797
Energy: 0.41024570688222367
Energy: 0.6292127968844153
Energy: 0.41024570688222367
Energy: 0.4998975948140799
Energy: 0.4457253486013526
Energy: 0.43743557674712186
Energy: 0.4457253485998428
Energy: 0.41074810306594894
Energy: 0.4107771451538976
Energy: 0.4197191909917186
Energy: 0.4107771451538976

minimum gb energy = 0.4100832836831208 eV
minimum distance =  2.60784059840949 Angstroms
sigma value = 9


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

Energy: 0.4592292695575628
Energy: 0.5361978849421185
Energy: 0.6357509871316004
Energy: 0.5361978849415532
Energy: 0.5340238873852872
Energy: 0.48157826118072905
Energy: 0.4650407490964811
Energy: 0.48157826118129426
Energy: 0.46650502896775736
Energy: 0.4539141309382612
Energy: 0.4677047385748069
Energy: 0.4539141309382612
Energy: 0.5254247301493999
Energy: 0.5307517966602845
Energy: 0.4649624615016417
Energy: 0.530751796661415
Energy: 0.5266622641579658
Energy: 0.47416083323436936
Energy: 0.47123607190022154
Energy: 0.47416083323436936
Energy: 0.4532288980705434
Energy: 0.45365268393342506
Energy: 0.5379276147480032
Energy: 0.4536526839339903
Energy: 0.6257120830910556
Energy: 0.47214266772326813
Energy: 0.4701585853457815
Energy: 0.47214266772326813
Energy: 0.46957081928083916
Energy: 0.4972604712348405
Energy: 0.5270441775392538
Energy: 0.4972604712348405
Energy: 0.4674143036761487
Energy: 0.5352383261685937
Energy: 0.45894787986637997
Energy: 0.5352383261680285
Energy: 0.46663932394021157
Energy: 0.47866173810224594
Energy: 0.46828700876440704
Energy: 0.47866173810281115
Energy: 0.46966933554572127
Energy: 0.49672533946396447
Energy: 0.6206753096057143
Energy: 0.49672533946509495
Energy: 0.5349199135555406
Energy: 0.5439181395873137
Energy: 0.46976728519097244
Energy: 0.5439181395873137
Energy: 0.46776862018336557
Energy: 0.5035811195688881
Energy: 0.5828525259289876
Energy: 0.5035811195694532
Energy: 0.533492339984549
Energy: 0.5321961268042591
Energy: 0.46228672516037494
Energy: 0.5321961268042591
Energy: 0.4706473498220257
Energy: 0.5106964782387166
Energy: 0.5237002765439415
Energy: 0.5106964782387166
Energy: 0.46944353316878223
Energy: 0.5352830401590468
Energy: 0.5335499649694253
Energy: 0.5352830401584816
Energy: 0.49107075743097317
Energy: 0.5109905554739301
Energy: 0.47055467180597293
Energy: 0.5109905554733649
Energy: 0.4710600982179359
Energy: 0.47207644574734253
Energy: 0.5933982434379824
Energy: 0.4720764457467773
Energy: 0.5269287738374258
Energy: 0.5040699062863966
Energy: 0.4545242898674362
Energy: 0.5040699062858313
Energy: 0.4699345836310958
Energy: 0.4851795367552091
Energy: 0.49701993573397585
Energy: 0.4851795367540786
Energy: 0.5325444429839951
Energy: 0.5301889001793587
Energy: 0.5321651346980995
Energy: 0.5301889001787935
Energy: 0.5018814430306948
Energy: 0.46483352511787834
Energy: 0.46773131487088393
Energy: 0.46483352511787834
Energy: 0.458948690764112
Energy: 0.5050437170334604
Energy: 0.46853372544555427
Energy: 0.5050437170328951
Energy: 0.6168085279107055
Energy: 0.4958028325043103
Energy: 0.4689889045390495
Energy: 0.4958028325048755
Energy: 0.47006889037101907
Energy: 0.5439380050157976
Energy: 0.5784962971488733
Energy: 0.5439380050157976
Energy: 0.5071743983887681
Energy: 0.45355537028035087
Energy: 0.4667612327425341
Energy: 0.45355537028035087
Energy: 0.5217216056347875
Energy: 0.5087793711769051
Energy: 0.5283687491812813
Energy: 0.5087793711757747
Energy: 0.46721669863775217
Energy: 0.5323890354678326
Energy: 0.5296204831318828
Energy: 0.5323890354689631
Energy: 0.5028985580918544
Energy: 0.453590504786574
Energy: 0.46666750602032814
Energy: 0.45359050478600876
Energy: 0.4653255642387238
Energy: 0.5445770076895977
Energy: 0.5766784273355084
Energy: 0.5445770076907283
Energy: 0.5861939031805012
Energy: 0.49624793320137883
Energy: 0.46861407057133114
Energy: 0.49624793320137883
Energy: 0.4611940056064425
Energy: 0.47320360047028565
Energy: 0.4673709148752425
Energy: 0.47320360047028565
Energy: 0.4660169558188768
Energy: 0.4642491246464742
Energy: 0.4665426049001953
Energy: 0.4642491246470395
Energy: 0.5334258504638664
Energy: 0.5305618784303285
Energy: 0.5312701819673946
Energy: 0.5305618784303285
Energy: 0.46868082460933447
Energy: 0.5360134197557515
Energy: 0.6056672545503197
Energy: 0.5360134197563168

minimum gb energy = 0.4532288980705434 eV
minimum distance =  2.57677673766407 Angstroms
sigma value = 73


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

Energy: 0.45243190237224823
Energy: 0.45300657803901206
Energy: 0.6353226849738933
Energy: 0.45300657803990885
Energy: 0.4676510032142239
Energy: 0.48676081647103514
Energy: 0.45499013426047047
Energy: 0.48676081647103514
Energy: 0.474617236264127
Energy: 0.46581563175261065
Energy: 0.45570192792923836
Energy: 0.46581563175261065
Energy: 0.4723873922562807
Energy: 0.48689340207906806
Energy: 0.4537969454087555
Energy: 0.48689340207906806
Energy: 0.47171793623779384
Energy: 0.477648207391728
Energy: 0.46497909216939554
Energy: 0.47764820739262476
Energy: 0.4730997409385217
Energy: 0.46247646846175106
Energy: 0.6061525015997509
Energy: 0.4624764684626479
Energy: 0.6177286948104197
Energy: 0.5598496219017265
Energy: 0.47419059132346075
Energy: 0.5598496219017265
Energy: 0.47319058595005314
Energy: 0.4530275044136453
Energy: 0.6013656839583823
Energy: 0.45302750441274847
Energy: 0.5934551581504531
Energy: 0.45276463256150185
Energy: 0.45570357476320944
Energy: 0.45276463256150185
Energy: 0.4737250294912381
Energy: 0.4868652333067429
Energy: 0.4528473061772033
Energy: 0.4868652333067429
Energy: 0.46673257110107846
Energy: 0.45268507414204356
Energy: 0.5988018692200789
Energy: 0.45268507414204356
Energy: 0.5167667184445346
Energy: 0.49807397063960496
Energy: 0.47184100983469635
Energy: 0.49807397063960496
Energy: 0.4734920354334624
Energy: 0.4762322328499393
Energy: 0.5113477078186875
Energy: 0.4762322328499393
Energy: 0.6171266633057193
Energy: 0.4768116933445694
Energy: 0.47766808145822665
Energy: 0.4768116933445694
Energy: 0.4627946073786312
Energy: 0.4821873649340026
Energy: 0.5168743338861529
Energy: 0.4821873649348994
Energy: 0.5976392805259938
Energy: 0.4535727290337265
Energy: 0.4732818584594592
Energy: 0.4535727290337265
Energy: 0.4528839644730194
Energy: 0.4547587972291495
Energy: 0.47431856234643666
Energy: 0.4547587972291495
Energy: 0.453035255234288
Energy: 0.4534051419053723
Energy: 0.47497077974932833
Energy: 0.4534051419062691
Energy: 0.4616712587904463
Energy: 0.4532498383631905
Energy: 0.47361780458832714
Energy: 0.4532498383640873
Energy: 0.4552696522699133
Energy: 0.48319099068886817
Energy: 0.601209862283486
Energy: 0.48319099068886817
Energy: 0.6166005021287485
Energy: 0.4644722335502091
Energy: 0.47417951222944915
Energy: 0.46447223355110595
Energy: 0.4550272260448542
Energy: 0.4794726043218045
Energy: 0.5165530359816697
Energy: 0.4794726043218045

minimum gb energy = 0.45243190237224823 eV
minimum distance =  2.5755027587059 Angstroms
sigma value = 7


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

Energy: 0.46456166810345056
Energy: 0.46528291229428026
Energy: 0.6307896837803029
Energy: 0.46528291229364616
Energy: 0.609289615626166
Energy: 0.49073563415896165
Energy: 0.4638787702410586
Energy: 0.49073563416213234
Energy: 0.4666929898042856
Energy: 0.46685337542981864
Energy: 0.4660098541496147
Energy: 0.4668533754241114
Energy: 0.49077887627990757
Energy: 0.4882013495416822
Energy: 0.4639867158783962
Energy: 0.4882013495416822
Energy: 0.46610741373583825
Energy: 0.48291250291001653
Energy: 0.46176252174943555
Energy: 0.48291250290811416
Energy: 0.46808787766848436
Energy: 0.4665541795865433
Energy: 0.5911176180961389
Energy: 0.46655417958464096
Energy: 0.5192985746593576
Energy: 0.513095134056422
Energy: 0.4871947750546741
Energy: 0.5130951340519831
Energy: 0.4681694561095977
Energy: 0.46527091270714094
Energy: 0.6402022874531252
Energy: 0.4652709127065068
Energy: 0.5310729653271189
Energy: 0.4822606506953434
Energy: 0.47122353759022856
Energy: 0.48226065069851404
Energy: 0.46322264603214275
Energy: 0.4718104799171651
Energy: 0.512406489472661
Energy: 0.4718104799171651
Energy: 0.47095464007136395
Energy: 0.4659246232577722
Energy: 0.4873476949051277
Energy: 0.46592462325650386
Energy: 0.46492234133332655
Energy: 0.48308815770331903
Energy: 0.48972711447628514
Energy: 0.4830881577045873
Energy: 0.4704737471865522
Energy: 0.46636755059080964
Energy: 0.4785314307015771
Energy: 0.4663675505901755
Energy: 0.46672917385292156
Energy: 0.46238353620223854
Energy: 0.47864060111835716
Energy: 0.462383536204141
Energy: 0.4616056981081348
Energy: 0.5393395937814518
Energy: 0.5337505026579695
Energy: 0.53933959378272
Energy: 0.629215991996152
Energy: 0.46176258219636795
Energy: 0.4708819418923947
Energy: 0.46176258219383143
Energy: 0.46173037546181744
Energy: 0.4827869171331069
Energy: 0.536002811731386
Energy: 0.48278691713120453
Energy: 0.4674228273905911
Energy: 0.48999708405178855
Energy: 0.47836923087714
Energy: 0.48999708405369097
Energy: 0.46144927707145866
Energy: 0.4667946460464552
Energy: 0.47977016389498284
Energy: 0.46679464604708937
Energy: 0.4622078266729487
Energy: 0.4847371102105517
Energy: 0.4618302903065085
Energy: 0.4847371102080152
Energy: 0.47159305742635266
Energy: 0.4863023781450064
Energy: 0.4713448800813966
Energy: 0.4863023781500794
Energy: 0.4675057919563011
Energy: 0.4666053785371572
Energy: 0.5119060703157544
Energy: 0.4666053785396937
Energy: 0.6004421747508357
Energy: 0.4823618729733208
Energy: 0.4812313346960161
Energy: 0.4823618729726867
Energy: 0.4663496244442766
Energy: 0.4655532114642964
Energy: 0.5828478477112047
Energy: 0.46555321146175993
Energy: 0.4721103756088942
Energy: 0.48724091475066955
Energy: 0.4695765582443974
Energy: 0.48724091475257186
Energy: 0.46680449829625636
Energy: 0.4672469608921908
Energy: 0.46795764876102824
Energy: 0.4672469608934591
Energy: 0.4661204143717119
Energy: 0.4903319311833111
Energy: 0.4641289910590173
Energy: 0.4903319311820429
Energy: 0.4823930935479877
Energy: 0.48246837934479564
Energy: 0.4639602137333083
Energy: 0.4824683793441615
Energy: 0.4677239561921252
Energy: 0.46595719883249986
Energy: 0.5161297797858174
Energy: 0.4659571988293292
Energy: 0.4667495420801323
Energy: 0.4821068178125474
Energy: 0.4638038735230866
Energy: 0.48210681781318154
Energy: 0.4676044787990746
Energy: 0.46571964996319787
Energy: 0.5715551848313857
Energy: 0.46571964996319787

minimum gb energy = 0.46144927707145866 eV
minimum distance =  2.55556476558641 Angstroms
sigma value = 29


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

Energy: 0.43826323759713687
Energy: 0.4320642002456784
Energy: 0.6363685215964229
Energy: 0.4320642002443776
Energy: 0.41785722779259643
Energy: 0.45420602171228
Energy: 0.43860322376739713
Energy: 0.45420602171272173
Energy: 0.4492195133482764
Energy: 0.4471014308576281
Energy: 0.4894820880290206
Energy: 0.44710143085740717
Energy: 0.4382131747406808
Energy: 0.4384023974905777
Energy: 0.43924403637005366
Energy: 0.4384023974903568
Energy: 0.4385692212857328
Energy: 0.43051219144403347
Energy: 0.4315064468476077
Energy: 0.4305121914442544
Energy: 0.43153964211773577
Energy: 0.4415962414176443
Energy: 0.4315772258513492
Energy: 0.44159624141786524
Energy: 0.43153255334858154
Energy: 0.43050512677716013
Energy: 0.4385302077210786
Energy: 0.4305051267769393
Energy: 0.4390895385613884
Energy: 0.43812315462234347
Energy: 0.43835020349402887
Energy: 0.43812315462256435
Energy: 0.49172294627249336
Energy: 0.44301182980741177
Energy: 0.4491981140959655
Energy: 0.44301182980827075

minimum gb energy = 0.41785722779259643 eV
minimum distance =  2.59266985863887 Angstroms
sigma value = 5


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

Energy: 0.44303102366405916
Energy: 0.4511003009531052
Energy: 0.629545198466134
Energy: 0.4511003009531052
Energy: 0.4576572124092049
Energy: 0.46531527621864516
Energy: 0.4439620712690962
Energy: 0.46531527621864516
Energy: 0.4346256100513559
Energy: 0.44801249979396407
Energy: 0.5244668873796355
Energy: 0.4480124997945631
Energy: 0.4489483384692358
Energy: 0.4619590073948831
Energy: 0.4380704017906669
Energy: 0.4619590073942841
Energy: 0.4380564136764876
Energy: 0.4645352052617074
Energy: 0.5178489859047977
Energy: 0.4645352052617074
Energy: 0.4508149105621845
Energy: 0.45140513354233736
Energy: 0.43002324398157954
Energy: 0.45140513354233736
Energy: 0.43444837673240855
Energy: 0.46347273325649985
Energy: 0.42964387290958606
Energy: 0.46347273325709887
Energy: 0.4335639349430449
Energy: 0.45153348377248465
Energy: 0.4355398226032899
Energy: 0.4515334837730836
Energy: 0.43826002898095945
Energy: 0.4637663662446682
Energy: 0.4362252380570151
Energy: 0.46376636624586626
Energy: 0.4361591753321117
Energy: 0.4635646069895392
Energy: 0.43749017564207815
Energy: 0.4635646069901383
Energy: 0.4497752189368109
Energy: 0.463668096630899
Energy: 0.43477751942238224
Energy: 0.463668096630899
Energy: 0.4440862798786331
Energy: 0.48798857163132836
Energy: 0.45237794677260207
Energy: 0.4879885716325263
Energy: 0.4508785582280993
Energy: 0.45111500295404783
Energy: 0.45121010012625035
Energy: 0.4511150029546468
Energy: 0.4381881294942371
Energy: 0.45146328518685264
Energy: 0.48351257691257227
Energy: 0.45146328518685264
Energy: 0.4505750694950026
Energy: 0.4629548893942284
Energy: 0.43483354473219393
Energy: 0.4629548893948002
Energy: 0.4346980916209863
Energy: 0.4479343706698554
Energy: 0.44833885335443885
Energy: 0.4479343706698554
Energy: 0.5140500920032367
Energy: 0.4453241635776858
Energy: 0.44961479164281687
Energy: 0.44532416357708676
Energy: 0.43859117962996996
Energy: 0.4510738957865234
Energy: 0.494149703147868
Energy: 0.4510738957871223
Energy: 0.43747239561230417
Energy: 0.4642277496461512
Energy: 0.4309346675928668
Energy: 0.46422774964675023
Energy: 0.43455971227734624
Energy: 0.47755285257539254
Energy: 0.44058183441351206
Energy: 0.4775528525747935
Energy: 0.4472285691569713
Energy: 0.4615465987538021
Energy: 0.43433099508423717
Energy: 0.4615465987538021
Energy: 0.4496538064553299
Energy: 0.46360507377898647
Energy: 0.44043376738253126
Energy: 0.4636050737777884
Energy: 0.42975266788332095
Energy: 0.4686047793734377
Energy: 0.4317427941414566
Energy: 0.46860477937283873
Energy: 0.4499072703194889
Energy: 0.45297825709680556
Energy: 0.4336768505172142
Energy: 0.45297825709680556
Energy: 0.45499496100885917
Energy: 0.44633443239587234
Energy: 0.4366123710367519
Energy: 0.44633443239587234
Energy: 0.4455316427827969
Energy: 0.452639870805658
Energy: 0.43835527530576696
Energy: 0.45263987080446
Energy: 0.4304625853055042
Energy: 0.4326449761551563
Energy: 0.44603553959471526
Energy: 0.43264497615575537
Energy: 0.45856854169477695
Energy: 0.46659822503186543
Energy: 0.434717053615211
Energy: 0.46659822503186543
Energy: 0.43511132760108145
Energy: 0.4382028341503004
Energy: 0.5160946573170193
Energy: 0.4382028341508995
Energy: 0.4777830994157034
Energy: 0.4507997865002571
Energy: 0.4386178989753898
Energy: 0.45079978650085606
Energy: 0.4326082353838551
Energy: 0.44132439781586624
Energy: 0.47683576041561965
Energy: 0.4413243978152672
Energy: 0.5129820694380824
Energy: 0.47307384962166366
Energy: 0.4342375173560124
Energy: 0.4730738496222627
Energy: 0.43617396993271645
Energy: 0.46470179663108563
Energy: 0.4507450630016274
Energy: 0.46470179663168465

minimum gb energy = 0.42964387290958606 eV
minimum distance =  2.55614482245775 Angstroms
sigma value = 1


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

Energy: 0.4327128432276281
Energy: 0.43383332151608006
Energy: 0.6348975339612536
Energy: 0.43383332151608006
Energy: 0.4365783059358123
Energy: 0.4516796708089035
Energy: 0.4222477500286719
Energy: 0.4516796708089035
Energy: 0.4120388763825661
Energy: 0.4337000905052101
Energy: 0.4861995471050843
Energy: 0.4337000905052101
Energy: 0.42061712611622354
Energy: 0.4516632136488515
Energy: 0.4168985666212024
Energy: 0.4516632136488515
Energy: 0.4125583598753552
Energy: 0.4311222148425814
Energy: 0.44555941822930956
Energy: 0.4311222148425814
Energy: 0.4126448064301546
Energy: 0.45135064029628785
Energy: 0.41695476282847876
Energy: 0.45135064029463134
Energy: 0.4120982409379126
Energy: 0.463781383271671
Energy: 0.4590314358762164
Energy: 0.46378138327084273
Energy: 0.4120049279936111
Energy: 0.4340341646365671
Energy: 0.4594906632701541
Energy: 0.43403416463739536
Energy: 0.43287747564803997
Energy: 0.43024276020773927
Energy: 0.4362262012353981
Energy: 0.43024276020773927
Energy: 0.43283146300872194
Energy: 0.429999683672318
Energy: 0.4426733194509042
Energy: 0.429999683672318
Energy: 0.4125317932901809
Energy: 0.43400025111070567
Energy: 0.4254852653951723
Energy: 0.43400025111070567
Energy: 0.41214460020542215
Energy: 0.46374272069576233
Energy: 0.45889822570437727
Energy: 0.4637427206949341
Energy: 0.41259581552734675
Energy: 0.4513155409562596
Energy: 0.41697346432668425
Energy: 0.45131554095543136
Energy: 0.4125768217610726
Energy: 0.43097719591298217
Energy: 0.45091892936782085
Energy: 0.4309771959154668
Energy: 0.4206357014766792
Energy: 0.45167065704170795
Energy: 0.4169064407285746
Energy: 0.45167065703922327
Energy: 0.41190870442081157
Energy: 0.4336401815321113
Energy: 0.4725124995043829
Energy: 0.43364018153376777
Energy: 0.4373759530508079
Energy: 0.45173257378123705
Energy: 0.4222681533067003
Energy: 0.4517325737804088
Energy: 0.4327128432276281
Energy: 0.43383332151608006
Energy: 0.5339503264670672
Energy: 0.43383332151608006
Energy: 0.43657830593664054
Energy: 0.45167967080807525
Energy: 0.4222477500286719
Energy: 0.4516796708089035
Energy: 0.41203887638173786
Energy: 0.4337000905052101
Energy: 0.5792800874660249
Energy: 0.4337000905052101
Energy: 0.42061712611622354
Energy: 0.4516632136488515
Energy: 0.4168985666212024
Energy: 0.4516632136488515
Energy: 0.4125583598753552
Energy: 0.4311222148434096
Energy: 0.43587539731143404
Energy: 0.4311222148425814
Energy: 0.4126448064301546
Energy: 0.45135064029628785
Energy: 0.41695476282765054
Energy: 0.4513506402954596
Energy: 0.4120982409370844
Energy: 0.463781383271671
Energy: 0.4468551982590368
Energy: 0.46378138327084273

minimum gb energy = 0.41190870442081157 eV
minimum distance =  2.57345773764765 Angstroms
sigma value = 17


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

Energy: 0.43439349960686263
Energy: 0.4355090730915834
Energy: 0.6325752019651262
Energy: 0.435509073093631
Energy: 0.5178876005845913
Energy: 0.43149488652204
Energy: 0.42369813441650245
Energy: 0.43149488652204
Energy: 0.4208607305173716
Energy: 0.43054368985257757
Energy: 0.5139037879005462
Energy: 0.4305436898530895
Energy: 0.4580255194829923
Energy: 0.42110758140530036
Energy: 0.41988575487850366
Energy: 0.4211075814058123
Energy: 0.4204612516080065
Energy: 0.4360692460881496
Energy: 0.44857274715010015
Energy: 0.4360692460876377
Energy: 0.4191813183493269
Energy: 0.44049633084921364
Energy: 0.4248634541966399
Energy: 0.4404963308497256
Energy: 0.4281360430968546
Energy: 0.44903172854777934
Energy: 0.4507120321951202
Energy: 0.44903172854777934
Energy: 0.41759831397762637
Energy: 0.44494880847971346
Energy: 0.42931113416805544
Energy: 0.44494880847920154
Energy: 0.4378590723227441
Energy: 0.4793288332801917
Energy: 0.4542513112526433
Energy: 0.47932883327916787
Energy: 0.4379296950084402
Energy: 0.44327627591574487
Energy: 0.4222870367456823
Energy: 0.44327627591625685
Energy: 0.42045613533801096
Energy: 0.43525685407985554
Energy: 0.42181076034104775
Energy: 0.4352568540824151
Energy: 0.42233298836703
Energy: 0.44572513796394303
Energy: 0.4235462970501992
Energy: 0.44572513796394303
Energy: 0.4176196135872827
Energy: 0.440253508830443
Energy: 0.42723765239338496
Energy: 0.44025350883095493
Energy: 0.428141776212159
Energy: 0.4550489907409031
Energy: 0.4346578635553885
Energy: 0.4550489907409031
Energy: 0.42259719845893867
Energy: 0.4220149219310926
Energy: 0.4386501589171584
Energy: 0.4220149219310926
Energy: 0.4206705794636862
Energy: 0.4313329321532083
Energy: 0.4430839028066975
Energy: 0.4313329321537202
Energy: 0.4328302423582094
Energy: 0.4206176109917267
Energy: 0.4274044751147965
Energy: 0.42061761099326245
Energy: 0.4174786874685562
Energy: 0.43515432446506686
Energy: 0.48957758278548635
Energy: 0.435154324464043
Energy: 0.4989971691800638
Energy: 0.44667588119796436
Energy: 0.42369318712395393
Energy: 0.44667588119796436
Energy: 0.4225657664050468
Energy: 0.43039971660428983
Energy: 0.45017439593837966
Energy: 0.4303997166053136
Energy: 0.43304641186855225
Energy: 0.42675880005698413
Energy: 0.42927158386991066
Energy: 0.4267588000585199
Energy: 0.4176845281837657
Energy: 0.43604206533252815
Energy: 0.4849395100095353
Energy: 0.43604206533355194
Energy: 0.4386744762920907
Energy: 0.4754818691089662
Energy: 0.42352996410704435
Energy: 0.4754818691089662
Energy: 0.4243578659929058
Energy: 0.4515603294606284
Energy: 0.4958223372646696
Energy: 0.4515603294596045
Energy: 0.43136935929172987
Energy: 0.43523682221149074
Energy: 0.4184226626620668
Energy: 0.43523682221251453
Energy: 0.42893005762499575
Energy: 0.4558882606548161
Energy: 0.4276735378271831
Energy: 0.4558882606548161
Energy: 0.4920663213536953
Energy: 0.44100722544379817
Energy: 0.4213140729714442
Energy: 0.44100722544328624
Energy: 0.4411431925523057
Energy: 0.47062940343799553
Energy: 0.4230431526470221
Energy: 0.4706294034390193
Energy: 0.4346560815855353
Energy: 0.4550060590402696
Energy: 0.42831119224086966
Energy: 0.4550060590402696
Energy: 0.4293818067120116
Energy: 0.4402281753621866
Energy: 0.4479423290449875
Energy: 0.44022817536269854
Energy: 0.4224243628886853
Energy: 0.4547924903127561
Energy: 0.42465515370910245
Energy: 0.45479249031173224
Energy: 0.4217469890363855
Energy: 0.435194380979245
Energy: 0.41906530199953684
Energy: 0.43519438098026886
Energy: 0.4210265037559922
Energy: 0.44339474955358954
Energy: 0.5014004878947765
Energy: 0.4433947495530776
Energy: 0.45312553528958355
Energy: 0.47941573513477814
Energy: 0.4318252746142274
Energy: 0.47941573513529007
Energy: 0.4201727102543281
Energy: 0.4362215337152344
Energy: 0.4385288079793506
Energy: 0.43622153371574635
Energy: 0.4500027256508988
Energy: 0.4495630531318346
Energy: 0.4265873409136523
Energy: 0.44956305313081074
Energy: 0.42358061421056037
Energy: 0.44284725189770974
Energy: 0.42101420482817625
Energy: 0.44284725189770974
Energy: 0.43905776954431275
Energy: 0.4565289291991875
Energy: 0.43004276198781605
Energy: 0.45652892919816374

minimum gb energy = 0.4174786874685562 eV
minimum distance =  2.56065628171834 Angstroms
sigma value = 89


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

Energy: 0.38161275852883925
Energy: 0.382110227884346
Energy: 0.6395072839395267
Energy: 0.3821102278840872
Energy: 0.3890549802328492
Energy: 0.3943198394036936
Energy: 0.3904550873850678
Energy: 0.39431983940396753
Energy: 0.3889679757211165
Energy: 0.442811383615673
Energy: 0.6347306042056462
Energy: 0.44281138361593175
Energy: 0.38329727417889714
Energy: 0.394425328271724
Energy: 0.3905233128467069
Energy: 0.394425328271587
Energy: 0.3892587648514212
Energy: 0.41239865586486224
Energy: 0.4278448507312775
Energy: 0.41239865586513624
Energy: 0.38889742332113647
Energy: 0.38229564597886867
Energy: 0.38427270397321783
Energy: 0.38229564597873167
Energy: 0.3889619781085698
Energy: 0.4434056809566821
Energy: 0.3820782578768941
Energy: 0.4434056809564081
Energy: 0.39310179352305163
Energy: 0.41363093871923196
Energy: 0.39045629904360063
Energy: 0.41363093871909495
Energy: 0.38915590659687294
Energy: 0.41286820893801573
Energy: 0.4018339859515098
Energy: 0.41286820893801573
Energy: 0.39438461509306333
Energy: 0.3822430073335951
Energy: 0.3830528808864011
Energy: 0.38224300733332117
Energy: 0.38185455734649393
Energy: 0.39439825716818444
Energy: 0.3890574284039511
Energy: 0.3943982571683215
Energy: 0.38184232490492837
Energy: 0.44176292095491526
Energy: 0.3904611195299725
Energy: 0.44176292095505226
Energy: 0.38907877037967037
Energy: 0.3826235563798167
Energy: 0.3841284053116942
Energy: 0.3826235563800755
Energy: 0.3838223841283848
Energy: 0.41168653077740575
Energy: 0.3836650393624702
Energy: 0.41168653077740575
Energy: 0.3912719049311305
Energy: 0.3824574779582286
Energy: 0.3892396413176478
Energy: 0.3824574779582286

minimum gb energy = 0.38161275852883925 eV
minimum distance =  2.58006775727365 Angstroms
sigma value = 13


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

Energy: 0.425708954016161
Energy: 0.4062707526153092
Energy: 0.6189765344492706
Energy: 0.40627075261755485
Energy: 0.48077341267461743
Energy: 0.3871301978719158
Energy: 0.3783521978695209
Energy: 0.3871301978719158
Energy: 0.38222837262823195
Energy: 0.37957817395085736
Energy: 0.4650603786829418
Energy: 0.3795781739480503
Energy: 0.38391388097592904
Energy: 0.3872195332561316
Energy: 0.3788287870736635
Energy: 0.38721953325837727
Energy: 0.38425904766284213
Energy: 0.4026151289372704
Energy: 0.43493907465200454
Energy: 0.4026151289383933
Energy: 0.4122962723009979
Energy: 0.38717549231535586
Energy: 0.4168213406695327
Energy: 0.3871754923192857
Energy: 0.3840909336512882
Energy: 0.4019496481573798
Energy: 0.5472425732718981
Energy: 0.4019496481590641
Energy: 0.3805988305099258
Energy: 0.3877754907278981
Energy: 0.41684556039866427
Energy: 0.3877754907278981
Energy: 0.38560377609901975
Energy: 0.4060910366365568
Energy: 0.5083454696473734
Energy: 0.40609103663431123
Energy: 0.4479627001990991
Energy: 0.4081797762056496
Energy: 0.37866309962293493
Energy: 0.40817977620789525
Energy: 0.3877087811078357
Energy: 0.4081857528056333
Energy: 0.420269160169257
Energy: 0.4081857528067561
Energy: 0.5244085904915293
Energy: 0.4080460510201575
Energy: 0.3759924092222301
Energy: 0.40804605102296454
Energy: 0.3952518505337457
Energy: 0.3817708307264965
Energy: 0.3870361910346742
Energy: 0.3817708307225666
Energy: 0.5169865890201792
Energy: 0.4082567918176534
Energy: 0.37861861202580793
Energy: 0.4082567918204604
Energy: 0.3870917570768222
Energy: 0.3798669103107538
Energy: 0.378587808744664
Energy: 0.37986691030963105
Energy: 0.4118105636901566
Energy: 0.4084734472292725
Energy: 0.3815040445856367
Energy: 0.40847344723320234
Energy: 0.3841478625978788
Energy: 0.3986443519811562
Energy: 0.3816801253409121
Energy: 0.3986443519800334
Energy: 0.38349161814079596
Energy: 0.40096825243235523
Energy: 0.4243954400927654
Energy: 0.40096825243291667
Energy: 0.38287040768902547
Energy: 0.3860775191103943
Energy: 0.4185007081559816
Energy: 0.38607751911263993
Energy: 0.38390282687493893
Energy: 0.4315564441730593
Energy: 0.42381245505261184
Energy: 0.4315564441736207
Energy: 0.3885444993667782
Energy: 0.4053165557472736
Energy: 0.4238945968183153
Energy: 0.4053165557489578
Energy: 0.3833955005476458
Energy: 0.4004153843382524
Energy: 0.38123866793078726
Energy: 0.4004153843399367
Energy: 0.4120122248798549
Energy: 0.4084155745738681
Energy: 0.3822981984196545
Energy: 0.40841557457442956
Energy: 0.3863668192457756
Energy: 0.3788996796594683
Energy: 0.3791281622336948
Energy: 0.37889967965890686
Energy: 0.5390940552675968
Energy: 0.4080592662399935
Energy: 0.37628507318994997
Energy: 0.40805926624111627
Energy: 0.42948747291917955
Energy: 0.408119288140985
Energy: 0.3929850371134144
Energy: 0.4081192881421079
Energy: 0.49140971029025715
Energy: 0.4081387016985707
Energy: 0.37637871965459446
Energy: 0.4081387016985707
Energy: 0.38643863814153123
Energy: 0.4083004130351816
Energy: 0.41578372997726154
Energy: 0.4083004130346202
Energy: 0.4224172201500615
Energy: 0.40934215394967033
Energy: 0.37735248842516356
Energy: 0.40934215395135454
Energy: 0.3845752867678005
Energy: 0.40142163131017217
Energy: 0.53871869147933
Energy: 0.4014216313107336
Energy: 0.3735855757601817
Energy: 0.38728604844233977
Energy: 0.41677892734953736
Energy: 0.38728604844233977
Energy: 0.3844036459377221
Energy: 0.4026075426817759
Energy: 0.4988951804902099
Energy: 0.40260754268346005
Energy: 0.4443810251900161
Energy: 0.38816864725773564
Energy: 0.4167769106485566
Energy: 0.3881686472605427
Energy: 0.3828594795692548
Energy: 0.402540577103627
Energy: 0.43653463636733025
Energy: 0.402540577103627
Energy: 0.41545886011699706
Energy: 0.38691482194897425
Energy: 0.3774286695737295
Energy: 0.38691482194897425

minimum gb energy = 0.3735855757601817 eV
minimum distance =  2.59285127712289 Angstroms
sigma value = 37


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

Energy: 0.3561487126765787
Energy: 0.3565015779841262
Energy: 0.6159658029571581
Energy: 0.3565015779841262
Energy: 0.39665871789887247
Energy: 0.388637029311148
Energy: 0.34530276327537673
Energy: 0.388637029311148
Energy: 0.3404209775079455
Energy: 0.39712336755576866
Energy: 0.45568048521682597
Energy: 0.39712336755480276
Energy: 0.3448268295210295
Energy: 0.3564350792359187
Energy: 0.34529254620142164
Energy: 0.3564350792349529
Energy: 0.34446588527799965
Energy: 0.3565005467146408
Energy: 0.3879428819599039
Energy: 0.3565005467146408
Energy: 0.3424536061899597
Energy: 0.35637434875994634
Energy: 0.34210773978400183
Energy: 0.3563743487609122
Energy: 0.34500662154356315
Energy: 0.4091438556150256
Energy: 0.4465936023174528
Energy: 0.4091438556150256
Energy: 0.34447648475184756
Energy: 0.35661336531145194
Energy: 0.3577849543561009
Energy: 0.35661336531145194
Energy: 0.34446808881599655
Energy: 0.357406986140677
Energy: 0.5061975397251283
Energy: 0.35740698613971117
Energy: 0.4924873254248688
Energy: 0.3896120875815512
Energy: 0.34212954607442514
Energy: 0.3896120875815512
Energy: 0.3452639017368415
Energy: 0.4038590006214097
Energy: 0.34470095187435235
Energy: 0.40385900062237556
Energy: 0.4561606976896601
Energy: 0.35655966429792774
Energy: 0.3453811678484281
Energy: 0.35655966429792774
Energy: 0.3405121576779352
Energy: 0.38851278862288124
Energy: 0.3512597816294042
Energy: 0.38851278862191546
Energy: 0.44656330728741633
Energy: 0.37381134501701896
Energy: 0.3445616835923775
Energy: 0.3738113450189507
Energy: 0.3561952696790621
Energy: 0.37330478173734294
Energy: 0.34447677434793417
Energy: 0.37330478173734294
Energy: 0.3568129090310567
Energy: 0.3565847823459617
Energy: 0.3453322898128131
Energy: 0.3565847823459617
Energy: 0.34062327933878883
Energy: 0.38903971095491235
Energy: 0.34217751075329994
Energy: 0.38903971095587825
Energy: 0.3407638401272397
Energy: 0.4039075977152257
Energy: 0.34453492724779705
Energy: 0.4039075977161916
Energy: 0.3452450173036116
Energy: 0.3567161663945748
Energy: 0.34119868800059433
Energy: 0.3567161663945748
Energy: 0.3410381838840481
Energy: 0.4228827870746651
Energy: 0.34053818463640034
Energy: 0.4228827870746651

minimum gb energy = 0.3404209775079455 eV
minimum distance =  2.59850165634621 Angstroms
sigma value = 25


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

Energy: 0.3340567900958808
Energy: 0.318694062142756
Energy: 0.5960832985795952
Energy: 0.318694062142756
Energy: 0.41847566276819453
Energy: 0.3250542738115857
Energy: 0.3202252551245579
Energy: 0.3250542738115857
Energy: 0.31633911048788205
Energy: 0.3164932126768843
Energy: 0.3145514669636625
Energy: 0.31649321267839275
Energy: 0.35132548583960793
Energy: 0.32498432243774594
Energy: 0.32015389555079815
Energy: 0.32498432243774594
Energy: 0.31943885562493907
Energy: 0.32473110539274264
Energy: 0.34633066980545923
Energy: 0.32473110539274264
Energy: 0.3122172361137867
Energy: 0.32540498149554054
Energy: 0.3202502241444434
Energy: 0.3254049814962948
Energy: 0.3199034906174949
Energy: 0.3169205443206915
Energy: 0.35202919351345574
Energy: 0.3169205443206915
Energy: 0.3152001197401723
Energy: 0.33466836918012205
Energy: 0.31715815479877535
Energy: 0.33466836918012205
Energy: 0.31952043061989205
Energy: 0.32507664372137623
Energy: 0.5077682022529296
Energy: 0.3250766437228847
Energy: 0.31205172001829995
Energy: 0.31887516097696655
Energy: 0.33501265760445587
Energy: 0.31887516097621227
Energy: 0.3202652871166248
Energy: 0.31708527476802206
Energy: 0.47627825795549544
Energy: 0.31708527476877624
Energy: 0.43649424684040156
Energy: 0.3637175401766224
Energy: 0.31720624004695114
Energy: 0.3637175401766224
Energy: 0.3194630069164748
Energy: 0.3247136790553159
Energy: 0.44145884050399914
Energy: 0.32471367905456167
Energy: 0.42288578903920365
Energy: 0.34288943071745404
Energy: 0.32027281591625567
Energy: 0.34288943071745404
Energy: 0.3202142107126693
Energy: 0.3169472729598087
Energy: 0.31203856792262163
Energy: 0.3169472729598087
Energy: 0.4162962565547373
Energy: 0.36077796235709925
Energy: 0.3192204037562122
Energy: 0.3607779623578535
Energy: 0.3194727809198013
Energy: 0.3347248192720231
Energy: 0.3154509345865531
Energy: 0.3347248192720231
Energy: 0.4062002530098486
Energy: 0.32504071554765435
Energy: 0.3200498676677812
Energy: 0.32504071554765435
Energy: 0.3373457686098064
Energy: 0.31656679140673744
Energy: 0.3121169601586189
Energy: 0.31656679140673744
Energy: 0.47801432597382054
Energy: 0.3605684385678543
Energy: 0.31938098446053886
Energy: 0.3605684385686086
Energy: 0.3194737870782044
Energy: 0.36023060382122346
Energy: 0.311238760647823
Energy: 0.36023060382122346
Energy: 0.3164409896416276
Energy: 0.3248131264886758
Energy: 0.3202035887696634
Energy: 0.3248131264886758
Energy: 0.3198677513080535
Energy: 0.3433752901381421
Energy: 0.42434299097114087
Energy: 0.3433752901381421
Energy: 0.31160855897006584
Energy: 0.36018414506226504
Energy: 0.3191873046777697
Energy: 0.36018414506226504
Energy: 0.3195079375996469
Energy: 0.3601737457441784
Energy: 0.4178732804182274
Energy: 0.3601737457449326
Energy: 0.31009423294456656
Energy: 0.3347768132365917
Energy: 0.31653287766147714
Energy: 0.3347768132373459

minimum gb energy = 0.31009423294456656 eV
minimum distance =  2.59816868587958 Angstroms
sigma value = 41


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

Energy: 0.43727213398769066
Energy: 0.29907648980355084
Energy: 0.4453772281831734
Energy: 0.2990764898041692
Energy: 0.4377492636415006
Energy: 0.29284425355431487
Energy: 0.29014213551032425
Energy: 0.2928442535530782
Energy: 0.2975316312226349
Energy: 0.28951690634338595
Energy: 0.2888243377806977
Energy: 0.2895169063440043
Energy: 0.3786442060196949
Energy: 0.29300338288761174
Energy: 0.29014926737329555
Energy: 0.2930033828869934
Energy: 0.28780545730234774
Energy: 0.3054776903303394
Energy: 0.31492021596165776
Energy: 0.30547769033095773
Energy: 0.3202122220096542
Energy: 0.2934011645462458
Energy: 0.29014826709191316
Energy: 0.2934011645462458
Energy: 0.2896418188757463
Energy: 0.29282580475786835
Energy: 0.3180869048349582
Energy: 0.29282580475725006
Energy: 0.28639237474047796
Energy: 0.29928890637635935
Energy: 0.28834456674457454
Energy: 0.299288906375741
Energy: 0.2914635091912558
Energy: 0.29972499054929563
Energy: 0.4098547973977125
Energy: 0.2997249905474406
Energy: 0.29149123895783263
Energy: 0.29004963717932575
Energy: 0.2981083375715868
Energy: 0.2900496371787074
Energy: 0.28968336463947314
Energy: 0.2929323819044945
Energy: 0.48689295795196047
Energy: 0.2929323819038761
Energy: 0.2861129098321463
Energy: 0.29940031825189795
Energy: 0.43697915095226963
Energy: 0.29940031825189795
Energy: 0.2914310197317399
Energy: 0.36337616151327407
Energy: 0.5141028085962434
Energy: 0.36337616151327407
Energy: 0.3467562937207391
Energy: 0.3212414312836469
Energy: 0.2981077918797596
Energy: 0.3212414312836469
Energy: 0.2897601837121535
Energy: 0.29276283217374854
Energy: 0.4246697648500363
Energy: 0.2927628321731302
Energy: 0.3830480786443513
Energy: 0.2985002020289162
Energy: 0.2883295944412243
Energy: 0.2985002020295346
Energy: 0.2914478338817689
Energy: 0.3201293112585196
Energy: 0.39440007443049363
Energy: 0.3201293112566646
Energy: 0.3807626385702601
Energy: 0.31981997217142294
Energy: 0.290121634009232
Energy: 0.31981997217142294
Energy: 0.28977777943183763
Energy: 0.2991386074103843
Energy: 0.28633755122706506
Energy: 0.29913860740976594
Energy: 0.3776622175834284
Energy: 0.2986847353482503
Energy: 0.2935226092017117
Energy: 0.2986847353463952
Energy: 0.29951490014169035
Energy: 0.3198529838795315
Energy: 0.2862653576820878
Energy: 0.3198529838789132
Energy: 0.4853609886332327
Energy: 0.32785693166564106
Energy: 0.29011814577228634
Energy: 0.32785693167058777
Energy: 0.4355297583372321
Energy: 0.29814195488860656
Energy: 0.28616082054595393
Energy: 0.2981419548892249
Energy: 0.4359657501514016
Energy: 0.30179966086297455
Energy: 0.29341859989376085
Energy: 0.3017996608605012
Energy: 0.2994826938389487
Energy: 0.3198299188507739
Energy: 0.28732063987075324
Energy: 0.31982991885262885
Energy: 0.4301926068311869
Energy: 0.4202705917320605
Energy: 0.2902396749793588
Energy: 0.4202705917326788
Energy: 0.2897473128163761
Energy: 0.29831977012119354
Energy: 0.38302922925187743
Energy: 0.29831977012119354
Energy: 0.28800107269337405
Energy: 0.29884545820065755
Energy: 0.29357334281371433
Energy: 0.29884545820065755
Energy: 0.29152436336174
Energy: 0.3194544736794011
Energy: 0.380653027249671
Energy: 0.3194544736794011
Energy: 0.28639182003109026
Energy: 0.33484320436142984
Energy: 0.291990709387541
Energy: 0.33484320436513987
Energy: 0.29329989712825233
Energy: 0.30002976397481645
Energy: 0.37862209702529076
Energy: 0.3000297639741981
Energy: 0.28487414318147175
Energy: 0.3610942145940953
Energy: 0.3016414337846738
Energy: 0.36109421459347696

minimum gb energy = 0.28487414318147175 eV
minimum distance =  2.59167002482369 Angstroms
sigma value = 15


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

Energy: 0.3978181027843092
Energy: 0.2765601520255009
Energy: 0.4288922250274552
Energy: 0.2765601520260247
Energy: 0.4474253673557678
Energy: 0.277144387214556
Energy: 0.273573339206407
Energy: 0.2771443872135083
Energy: 0.2816243074136065
Energy: 0.2732737442767794
Energy: 0.2674885572512395
Energy: 0.27327374427625556
Energy: 0.4365085237028202
Energy: 0.2763635197518082
Energy: 0.2735899152193747
Energy: 0.27636351975233203
Energy: 0.2721090786344177
Energy: 0.29818734326031526
Energy: 0.2906509427191138
Energy: 0.29818734326398205
Energy: 0.38689781719286404
Energy: 0.27556931123627054
Energy: 0.273545087152787
Energy: 0.27556931123836587
Energy: 0.2732409352450967
Energy: 0.27752161457702
Energy: 0.2923583948550914
Energy: 0.27752161457702
Energy: 0.3276980613627377
Energy: 0.27731493103456384
Energy: 0.2735598065250092
Energy: 0.27731493103456384
Energy: 0.27451175907053027
Energy: 0.27909791632625813
Energy: 0.37259885110615293
Energy: 0.27909791632573433
Energy: 0.2660901458145026
Energy: 0.2768745026119902
Energy: 0.27229063018985916
Energy: 0.27687450261146634
Energy: 0.27321290054711544
Energy: 0.2746962803065249
Energy: 0.40002622550579203
Energy: 0.2746962803060011
Energy: 0.2685942605536925
Energy: 0.27354232806048856
Energy: 0.2818093774077663
Energy: 0.2735423280615363
Energy: 0.27440802161608036
Energy: 0.2795904803652635
Energy: 0.5124528170378304
Energy: 0.279590480366835
Energy: 0.26651901487055846
Energy: 0.27247656747238524
Energy: 0.39808258898728927
Energy: 0.27247656747343285
Energy: 0.27325522441570993
Energy: 0.2762294439340886
Energy: 0.4919217594451371
Energy: 0.27622944393461246
Energy: 0.3156875013093588
Energy: 0.27423369918241114
Energy: 0.2819574085504725
Energy: 0.27423369917979207
Energy: 0.2744694377895154
Energy: 0.2772931210993665
Energy: 0.46751413644144874
Energy: 0.2772931210993665
Energy: 0.35004293527535074
Energy: 0.29267157056415394
Energy: 0.2723866487036425
Energy: 0.2926715705620586
Energy: 0.2732736647552553
Energy: 0.2760034961660851
Energy: 0.3867319169715961
Energy: 0.27600349616556125
Energy: 0.34861053850123536
Energy: 0.27271565450125634
Energy: 0.27344299958881524
Energy: 0.27271565450230395
Energy: 0.2742827636722452
Energy: 0.28508667335483734
Energy: 0.35820642425323473
Energy: 0.28508667335221827
Energy: 0.34796153480360825
Energy: 0.27708667745717797
Energy: 0.27582878412777745
Energy: 0.27708667745770177
Energy: 0.2732315488826217
Energy: 0.27637982490945967
Energy: 0.2660222343156406
Energy: 0.27637982490945967
Energy: 0.45902849800125683
Energy: 0.2725164521396737
Energy: 0.27357038458427374
Energy: 0.27251645214072134
Energy: 0.28277254922704376
Energy: 0.28577799216239386
Energy: 0.2658985563546335
Energy: 0.28577799216134625
Energy: 0.4460559556446286
Energy: 0.27732300048826397
Energy: 0.2758893729694696
Energy: 0.2773230004914069
Energy: 0.39769307190503644
Energy: 0.27347176096760734
Energy: 0.26638384582155333
Energy: 0.27347176096760734
Energy: 0.48942949391785723
Energy: 0.2737855755033483
Energy: 0.2734763954168642
Energy: 0.27378557550230076
Energy: 0.2828090679836168
Energy: 0.3016713546850072
Energy: 0.26643324004321106
Energy: 0.301671354682912
Energy: 0.3971824870981511
Energy: 0.27722082706996487
Energy: 0.2757676641607766
Energy: 0.2772208270720602
Energy: 0.2733505233349305
Energy: 0.295254425267774
Energy: 0.3498601903141306
Energy: 0.2952544252693455
Energy: 0.39371188412622604
Energy: 0.2755509258729105
Energy: 0.2734932771352327
Energy: 0.2755509258729105
Energy: 0.27433445310215193
Energy: 0.2862961619252949
Energy: 0.35545491056834105
Energy: 0.28629616192477114
Energy: 0.26654824541994254
Energy: 0.28437996200392535
Energy: 0.2757195104044836
Energy: 0.28437996200340154
Energy: 0.27068054450425155
Energy: 0.27533229319305647
Energy: 0.3472727296385342
Energy: 0.27533229318205626
Energy: 0.2664758969977015
Energy: 0.2758881920601032
Energy: 0.27458968137052137
Energy: 0.2758881920601032
Energy: 0.2744937033269439
Energy: 0.34376455904665965
Energy: 0.4571254330761391
Energy: 0.3437645590477072

minimum gb energy = 0.2658985563546335 eV
minimum distance =  2.59450332663934 Angstroms
sigma value = 85


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

Energy: 0.36960595979850686
Energy: 0.2628854094043309
Energy: 0.5516116973687651
Energy: 0.2628854094043309
Energy: 0.5859894423503625
Energy: 0.25998673741442185
Energy: 0.24845231511861743
Energy: 0.25998673741487616
Energy: 0.35645626891923227
Energy: 0.25996437886593404
Energy: 0.28497324282216174
Energy: 0.25996437886593404
Energy: 0.432274179327875
Energy: 0.260259216145309
Energy: 0.24849392341739773
Energy: 0.260259216145309
Energy: 0.2587337854282419
Energy: 0.24804463329817808
Energy: 0.2811440745568923
Energy: 0.24804463329817808
Energy: 0.38779650961084977
Energy: 0.26009853371973085
Energy: 0.24855717779801526
Energy: 0.26009853371927655
Energy: 0.24685908479326849
Energy: 0.2669832471315099
Energy: 0.28516074949347375
Energy: 0.2669832471333271
Energy: 0.34329357501850416
Energy: 0.25900856136955064
Energy: 0.24844012418028083
Energy: 0.25900856136955064
Energy: 0.24812280787551055
Energy: 0.2530193022408677
Energy: 0.34605708765289767
Energy: 0.25301930224041336
Energy: 0.2914422668517451
Energy: 0.26686702996492223
Energy: 0.24723565701232572
Energy: 0.2668670299653766
Energy: 0.24935645260528258
Energy: 0.2600709554890451
Energy: 0.3677850299285105
Energy: 0.26007095548813636
Energy: 0.23817210931829833
Energy: 0.259883709823213
Energy: 0.25921045612991267
Energy: 0.2598837098236674
Energy: 0.24816706803160543
Energy: 0.2530310066422303
Energy: 0.42796670655228625
Energy: 0.2530310066422303
Energy: 0.24058293732134714
Energy: 0.26007805197207506
Energy: 0.35651249493588166
Energy: 0.2600780519716208
Energy: 0.24936034183115222
Energy: 0.25995721274437916
Energy: 0.4756599795556975
Energy: 0.25995721274347056
Energy: 0.23729788589970524
Energy: 0.26307176938453614
Energy: 0.36975162919477483
Energy: 0.2630717693854448
Energy: 0.24818475042278132
Energy: 0.25301444987065125
Energy: 0.47562404878411557
Energy: 0.2530144498711056
Energy: 0.2822672199945285
Energy: 0.2600604206999633
Energy: 0.3565051527871321
Energy: 0.2600604206990547
Energy: 0.24934404969113436
Energy: 0.2599097415833288
Energy: 0.4322699728124024
Energy: 0.2599097415833288
Energy: 0.31173130575957786
Energy: 0.2602479908675398
Energy: 0.25911061912146266
Energy: 0.2602479908743544
Energy: 0.24817012225496005
Energy: 0.2527479453331918
Energy: 0.4088443564616946
Energy: 0.2527479453327375
Energy: 0.31056611363507114
Energy: 0.25992519846154416
Energy: 0.24718442532174434
Energy: 0.25992519846154416
Energy: 0.24930876064190652
Energy: 0.2590794938610428
Energy: 0.3436655222052197
Energy: 0.2590794938619514
Energy: 0.3112882375806821
Energy: 0.26711736188837837
Energy: 0.24853106978072806
Energy: 0.2671173618888328
Energy: 0.24818547588602294
Energy: 0.25938999830242626
Energy: 0.2918807789402004
Energy: 0.25938999830242626
Energy: 0.4100221980383043
Energy: 0.2598212918446768
Energy: 0.2490336421330012
Energy: 0.2598212918442224
Energy: 0.260062354403834
Energy: 0.2596817981064257
Energy: 0.23825905144085138
Energy: 0.2596817981068801
Energy: 0.4095963612735232
Energy: 0.26682907355281654
Energy: 0.24850202921042683
Energy: 0.2668290735514536
Energy: 0.356882423536218
Energy: 0.260991560476738
Energy: 0.23967424444732874
Energy: 0.260991560476738
Energy: 0.4756082747965968
Energy: 0.259977759863281
Energy: 0.24900826925284184
Energy: 0.2599777598596465
Energy: 0.37026556319330756
Energy: 0.25929420588370816
Energy: 0.2383132746164372
Energy: 0.25929420588507107
Energy: 0.4402611266863754
Energy: 0.26674272867536974
Energy: 0.2484745665273359
Energy: 0.2667427286758241
Energy: 0.35687903013430106
Energy: 0.25911251576912747
Energy: 0.23842363313423906
Energy: 0.25911251576912747
Energy: 0.4322943431133827
Energy: 0.26006026124046916
Energy: 0.24893486200247392
Energy: 0.2600602612422864
Energy: 0.2600306240758204
Energy: 0.25994512055613833
Energy: 0.31170559161195593
Energy: 0.25994512055386676
Energy: 0.3483761057557448
Energy: 0.2668557166840048
Energy: 0.248478970073449
Energy: 0.2668557166840048
Energy: 0.24823094401119297
Energy: 0.25938996195779485
Energy: 0.31062119390921455
Energy: 0.25938996195779485
Energy: 0.3433354697710834
Energy: 0.2596616885660737
Energy: 0.24896916478909262
Energy: 0.25966168854426674
Energy: 0.24920747153536793
Energy: 0.258972756637746
Energy: 0.3114034469117981
Energy: 0.25897275664001757
Energy: 0.24068160728837806
Energy: 0.2754417243648369
Energy: 0.24957168188400938
Energy: 0.2754417243661998
Energy: 0.24837483225105642
Energy: 0.2592785558447743
Energy: 0.41031170174308484
Energy: 0.2592785558438657
Energy: 0.23815793700008278
Energy: 0.25944723879045756
Energy: 0.2614480534531196
Energy: 0.2594472387718515
Energy: 0.24930961264989177
Energy: 0.2599713478419697
Energy: 0.410044385774527
Energy: 0.25997134784151543

minimum gb energy = 0.23729788589970524 eV
minimum distance =  2.60472849225762 Angstroms
sigma value = 113


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

Energy: 0.011051208516623537
Energy: 0.012513357974751891
Energy: 0.5255930032050906
Energy: 0.01251335797442204
Energy: 0.3937782668939149
Energy: 0.13221268192308552
Energy: 0.13199577907595514
Energy: 0.1322126819217273
Energy: 0.011051208516274287
Energy: 0.012513357974751891
Energy: 0.5255930032050906
Energy: 0.01251335797442204
Energy: 0.3937782668939149
Energy: 0.13221268192308552
Energy: 0.13199577907628499
Energy: 0.13221268192205718
Energy: 0.011051208516274287
Energy: 0.01251335797510114
Energy: 0.5255930032050906
Energy: 0.01251335797442204
Energy: 0.393778266893585
Energy: 0.13221268192343477
Energy: 0.13199577907525664
Energy: 0.13221268192205718

minimum gb energy = 0.011051208516274287 eV
minimum distance =  2.862837694263 Angstroms
sigma value = 1