Model name: model_name=MEAM_LAMMPS_MahataMukhopadhyayAsleZaeem_2022_AlFe__MO_304347095149_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.604343503713608
cohesive_energy=4.246784762046966
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.9334106313131598e-19, 2.7468517301612997e-19, 3.36628526039838e-19, 3.8688079616524797e-19, 4.28971578517062e-19, 4.64897185181244e-19, 4.95928142228556e-19, 5.2293443157126e-19, 5.46548912979786e-19, 5.67249035091066e-19, 5.857413578006939e-19, 6.02661945232368e-19, 6.17296226607324e-19, 6.29796408705792e-19, 6.40489335561108e-19, 6.49632957611346e-19, 6.573874925199059e-19, 6.638634904745339e-19, 6.69152275543368e-19, 6.733371609113759e-19, 6.76488642350454e-19, 6.786708069259619e-19, 6.79942935173358e-19, 6.8035629674493e-19, 6.79914095993946e-19, 6.784849544364179e-19, 6.7590224570241e-19, 6.719640955360379e-19, 6.6643338179547e-19, 6.590265192164879e-19, 6.494038463526839e-19, 6.37156808162388e-19, 6.2178872988906e-19, 6.02695590941682e-19, 5.7914519659851595e-19, 5.50224306178182e-19, 5.148017829770759e-19, 4.71454894144206e-19, 4.1838759967285797e-19, 3.5329917391660796e-19, 2.73217579219386e-19, 1.74251128537206e-19, 5.1228796783833e-20, -1.0282801680544679e-19, -2.9750817916745996e-19, -5.464095236126279e-19, -8.70488200078344e-19, -1.3048495007921819e-18, -1.9129027703979595e-18, -2.8195905493449e-18, -4.2964769705660996e-18, -7.00445989558656e-18, -1.27711902761091e-17, -2.7399783924014397e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.01647673139571816
Energy: 0.01712946748649219
Energy: 0.017245373554090386
Energy: 0.016706292511230306
Energy: 0.6813894106129935
Energy: 0.01690440599714378
Energy: 0.017129467486176726
Energy: 0.10975489065645784
Energy: 0.10975722190357219
Energy: 0.10985974080123773
Energy: 0.10979252583890974
Energy: 0.1111267885489684
Energy: 0.017245373554405852
Energy: 0.10975722191776813
Energy: 0.11088243749896749
Energy: 0.01710275102161943
Energy: 0.10998548153548478
Energy: 0.11043982614905483
Energy: 0.01670629251154577
Energy: 0.10985974080032637
Energy: 0.017102751022215312
Energy: 0.01671190778754193
Energy: 0.10988703718157541
Energy: 0.01695352880657945
Energy: 0.6813894106133089
Energy: 0.10979252583796334
Energy: 0.10998548153580025
Energy: 0.10988703718062902
Energy: 0.10997059307363133
Energy: 0.10988936389180728
Energy: 0.016904405996828315
Energy: 0.11112678854928387
Energy: 0.11043982614937028
Energy: 0.01695352880657945
Energy: 0.10988936389180728
Energy: 0.017045149532994165

minimum gb energy = 0.01647673139571816 eV
minimum distance =  2.54436126709648 Angstroms
sigma value = 1


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

Energy: 1.6303796028002429
Energy: 0.5324336668559653
Energy: 0.5048949492814302
Energy: 0.7063755665289678
Energy: 0.05701222866524802
Energy: 0.5014919055236914
Energy: 1.4305174203357542
Energy: 0.6180329914665872
Energy: 0.6182462954819347
Energy: 0.6179587236839603
Energy: 0.5264476791028659
Energy: 0.6189767920363218
Energy: 1.3947318942583333
Energy: 0.6057578164204626
Energy: 0.6183977631585738
Energy: 0.7017693956771346
Energy: 0.525893551084662
Energy: 0.6190382975039582
Energy: 0.5210133843512749
Energy: 0.6241635278788029
Energy: 0.6863519206673445
Energy: 0.6057785464487933
Energy: 0.6247658460425974
Energy: 0.6884928578741221
Energy: 0.6139820695268019
Energy: 0.6179284247842938
Energy: 0.6177920564108673
Energy: 0.6166490229173616
Energy: 0.620625674506697
Energy: 0.6184861191723758
Energy: 1.3150788766132568
Energy: 0.70129425544145
Energy: 0.699300116145194
Energy: 0.6975437760552226
Energy: 0.6204762941114558
Energy: 0.6993877657048939
Energy: 1.3506331112550916
Energy: 0.7004529054758808
Energy: 0.7003385593453717
Energy: 0.69841247020454
Energy: 0.7014347204264306
Energy: 0.700138822481109
Energy: 1.3088212816508473
Energy: 0.7030743636156332
Energy: 0.7020030275537698
Energy: 0.6912120583526644
Energy: 0.7038168468850413
Energy: 0.7067407511192567
Energy: 1.0374947885058732
Energy: 0.7020448025813929
Energy: 0.703245430047016
Energy: 0.6198064075532331
Energy: 0.7001693323142802
Energy: 0.7028009774573223
Energy: 1.0344256888063224
Energy: 0.6194780864444855
Energy: 0.6186692957734438
Energy: 0.6201243951925443
Energy: 0.6177268088585861
Energy: 0.6180973572432117
Energy: 1.102207479749443
Energy: 0.6693224488533944
Energy: 0.6709532169619375
Energy: 0.6492308116501732
Energy: -0.20439234540136642
Energy: 0.6979047602475045
Energy: 0.8364217202603469
Energy: 0.6193057929679401
Energy: 0.6186424560137639
Energy: 0.5261658231653159
Energy: 0.7012288559705143
Energy: 0.6186800504228724
Energy: 0.8349449158031317
Energy: 0.6174644247715334
Energy: 0.6168104940772997
Energy: 0.528152706353305
Energy: 0.6154399722666439
Energy: 0.6197445408966512
Energy: 0.9097141133941368
Energy: 0.6024695672143636
Energy: 0.6036212014697595
Energy: 0.6206425753026249
Energy: 0.6656310475872671
Energy: 0.6455414705808032
Energy: 0.8936297800986389
Energy: 0.6165141981254533
Energy: 0.6194416012260451
Energy: 0.5267725250158471
Energy: 0.6172070392238244
Energy: 0.6187937795178798
Energy: 0.8942574562852489
Energy: 0.7060645913905849
Energy: 0.7042957695424275
Energy: 0.5283841712458625
Energy: 0.7048593681031998
Energy: 0.7013803455081308
Energy: 1.1348437182413733
Energy: 0.6854446661390837
Energy: 0.7065757209437403
Energy: 0.6676782164760933
Energy: 0.686808972567285
Energy: 0.6825550668294488
Energy: 1.2091446221792683
Energy: 0.7023240475251545
Energy: 0.7018927114403408
Energy: 0.704323085689155
Energy: 0.7012415173784898
Energy: 0.7016883694835204
Energy: 1.180830763370869
Energy: 0.7022004198321692
Energy: 0.7009545726222222
Energy: 0.7012871518314392
Energy: 0.7029335512768312
Energy: 0.7015062574643668
Energy: -0.13661933362311948
Energy: 0.7024041406266913
Energy: 0.7027839316448041
Energy: 0.7012901627738239
Energy: 0.7015515408379183
Energy: 0.702187122662299
Energy: 0.5078618894777304
Energy: 0.6689425782621079
Energy: 0.6735576330571347
Energy: 0.671398433421433
Energy: 0.6897136049995117
Energy: 0.6733658142846914
Energy: 1.315094415254436
Energy: 0.6816201877907915
Energy: 0.700262718132433
Energy: 0.6978836174788883
Energy: 0.5276042913120139
Energy: 0.7005393796281877
Energy: 1.4309377236395355
Energy: 0.6181729071841714
Energy: 0.6183121461172372
Energy: 0.526021180589542
Energy: 0.5257252724330204
Energy: 0.6186257560843865

minimum gb energy = -0.20439234540136642 eV
minimum distance =  2.35676350940291 Angstroms
sigma value = 33


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

Energy: 1.804827652610899
Energy: 0.8150099172370274
Energy: 0.8144853164857859
Energy: 0.7717476811852855
Energy: 0.81884811415949
Energy: 0.7716891973841794
Energy: 1.4515451179689642
Energy: 0.8125380170101874
Energy: 0.7588733157081234
Energy: 0.7592754239243129
Energy: 0.8178058650043462
Energy: 0.7579860349497396
Energy: 1.346252816055032
Energy: 0.7591705204010268
Energy: 0.759280689119228
Energy: 0.7574311984168642
Energy: 0.8393723511769258
Energy: 0.7592106032585912
Energy: 1.3990462718614058
Energy: 0.7782925463496128
Energy: 0.7777538856927239
Energy: 0.7538046518078723
Energy: 0.7775697658209315
Energy: 0.7698797491343591
Energy: 1.335726805388979
Energy: 0.7602674990797889
Energy: 0.7587713554237671
Energy: 0.7592880325415621
Energy: 0.8150000983352249
Energy: 0.7575873691833471
Energy: 1.3958128895847595
Energy: 0.7674163820167341
Energy: 0.7652395902449183
Energy: 0.7632772498322736
Energy: 0.7751763167251835
Energy: 0.7650369550768419
Energy: 1.3955343042743382
Energy: 0.7675097293580588
Energy: 0.7662142120477987
Energy: 0.7636386611053293
Energy: 0.7658677194028212
Energy: 0.7654999157258862
Energy: 1.185810641336956
Energy: 0.7544681792231638
Energy: 0.7557246789693497
Energy: 0.7644115964928752
Energy: 0.7544702381302171
Energy: 0.754176364002143
Energy: 1.008333330580839
Energy: 0.7547589033892509
Energy: 0.7621220217395285
Energy: 0.81323454842687
Energy: 0.7562936680288599
Energy: 0.7626302426259586
Energy: 1.0075210108347987
Energy: 0.758426613586554
Energy: 0.7573640591757432
Energy: 0.8138994688365279
Energy: 0.7584928588834217
Energy: 0.758024614253111
Energy: 0.9011934424791619
Energy: 0.7670103174041852
Energy: 0.767083433598711
Energy: 0.7761556900097728
Energy: 0.7555618830948346
Energy: 0.7734044733275318
Energy: 0.8413971079396025
Energy: 0.7543161529847003
Energy: 0.7587456131137681
Energy: 0.8470249935804852
Energy: 0.7543016467531624
Energy: 0.7585877418915807
Energy: 0.8412077256817717
Energy: 0.7595316951360597
Energy: 0.7594810256120299
Energy: 0.8412328272182431
Energy: 0.7592048113139618
Energy: 0.7588615352549208
Energy: 1.0617602645714947
Energy: 0.7538360724600878
Energy: 0.755443844752146
Energy: 0.8193252666448717
Energy: 0.7531550243669648
Energy: 0.7697776996732117
Energy: 1.0081827392776044
Energy: 0.7582523912274093
Energy: 0.7574995366236018
Energy: 0.8139720010410434
Energy: 0.7591747163390831
Energy: 0.7583480015592033
Energy: 1.0087674571683327
Energy: 0.7632048866619251
Energy: 0.7634193374883383
Energy: 0.8131121416384697
Energy: 0.7637294258512808
Energy: 0.7637767597082484
Energy: 1.251140332647008
Energy: 0.7647347379545659
Energy: 0.7652931471063875
Energy: 0.7762408103195733
Energy: 0.7641332199449745
Energy: 0.767166516017516
Energy: 1.1792840822586836
Energy: 0.7664510146889882
Energy: 0.7668681516891558
Energy: 0.7544583177255855
Energy: 0.7653715418121445
Energy: 0.7538802722750193
Energy: 1.1831821598631052
Energy: 0.7649445235225297
Energy: 0.7651606526694369
Energy: 0.7549434842433514
Energy: 0.8133608961333406
Energy: 0.763470825900663
Energy: 0.6158426440816639
Energy: 0.8146199928670982
Energy: 0.7587272954599013
Energy: 0.7595586739358064
Energy: 0.8145934711459359
Energy: 0.7572770495366513
Energy: 1.6093577579735425
Energy: 0.7665403044363023
Energy: 0.7549974751125699
Energy: 0.754608277394635
Energy: 0.7756193840535712
Energy: 0.7547150028980242
Energy: 1.4519832204663707
Energy: 0.7589638686461013
Energy: 0.7591936709655123
Energy: 0.7540564274906936
Energy: 0.7802753027419603
Energy: 0.7592621556383796
Energy: 1.3391739660057915
Energy: 0.7733171456216547
Energy: 0.7591757572112706
Energy: 0.7595131983127077
Energy: 0.8436220840629117
Energy: 0.7581999271625065
Energy: 1.3986892131237312
Energy: 0.7861304413925473
Energy: 0.7857336374256693
Energy: 0.753332817629888
Energy: 0.8301788017944071
Energy: 0.7713960488940221
Energy: 1.3338922788236354
Energy: 0.759912173031006
Energy: 0.7590970275378794
Energy: 0.7592227554448268
Energy: 0.814455897937984
Energy: 0.757829276042698
Energy: 1.3985945761780563
Energy: 0.7643636670918675
Energy: 0.7625583409572866
Energy: 0.7638290404987838
Energy: 0.7741859688054091
Energy: 0.7618514361983989
Energy: 1.3966258952047488
Energy: 0.7658549017225504
Energy: 0.765670502181453
Energy: 0.7668916724851119
Energy: 0.7759800744500377
Energy: 0.7654920233088399
Energy: 1.1905036803373963
Energy: 0.75473307970822
Energy: 0.7551855651954384
Energy: 0.7650183102731546
Energy: 0.7547282754632584
Energy: 0.7649196597428513
Energy: 1.0093055416331171
Energy: 0.7544303227866846
Energy: 0.7547953020523157
Energy: 0.8124937060457753
Energy: 0.7539416578429087
Energy: 0.7654571216488678
Energy: 1.0092789886597442
Energy: 0.757796075023765
Energy: 0.7570200728728107
Energy: 0.8134959032601179
Energy: 0.7589404313975213
Energy: 0.7575227730435441
Energy: 1.146605543212152
Energy: 0.7542440902261502
Energy: 0.7542708356810053
Energy: 0.774969353956821
Energy: 0.7551786193573418
Energy: 0.7545929464581286
Energy: 0.839023537563772
Energy: 0.7540486720085231
Energy: 0.7540720696785088
Energy: 0.7809244303891788
Energy: 0.7540128553317758
Energy: 0.7594401446505997
Energy: 0.8434173704178037
Energy: 0.7585241981075522
Energy: 0.7577613557311212
Energy: 0.8415986332452297
Energy: 0.7590145955601865
Energy: 0.758598946148399
Energy: 0.8400540803603671
Energy: 0.7537741351564218
Energy: 0.7542156686117925
Energy: 0.8471052777904234
Energy: 0.7527159109336288
Energy: 0.7543232279124518
Energy: 1.0016501190124603
Energy: 0.7598214599275054
Energy: 0.7588206329434773
Energy: 0.8126833528325039
Energy: 0.7594140416953166
Energy: 0.7586764178403974
Energy: 1.0076680969161795
Energy: 0.7629311595857913
Energy: 0.7615147330830581
Energy: 0.8125163168291422
Energy: 0.7635426007179075
Energy: 0.7609496297408646
Energy: 1.2508522507476514
Energy: 0.771656412938211
Energy: 0.7664467134619061
Energy: 0.798177175731893
Energy: 0.7592632404923458
Energy: 0.7659805256257579
Energy: 1.1778863311728767
Energy: 0.7651577309985239
Energy: 0.7637572161912453
Energy: 0.7559340124927176
Energy: 0.7672050111957941
Energy: 0.762923467533222
Energy: 1.1785348690967334
Energy: 0.7664801210260223
Energy: 0.7666796299968124
Energy: 0.7545819078687914
Energy: 0.8149062568183176
Energy: 0.7535102391678278
Energy: 1.3352313778171956
Energy: 0.8128775688247096
Energy: 0.7579048142417868
Energy: 0.7594401619716705
Energy: 0.8131549608975255
Energy: 0.7568231126846234
Energy: 1.6160140140120873
Energy: 0.7580296884365361
Energy: 0.7547357089374994
Energy: 0.7543166842701997
Energy: 0.7580224258235371
Energy: 0.7541400922720608

minimum gb energy = 0.6158426440816639 eV
minimum distance =  2.3623790637793 Angstroms
sigma value = 51


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

Energy: 1.6771656302517008
Energy: 0.6040675625192774
Energy: 0.6046503125271566
Energy: 0.7180407883756039
Energy: 0.6270831943522169
Energy: 0.8696598942925042
Energy: 1.3572974923811618
Energy: 0.629117392747694
Energy: 0.640278216466532
Energy: 0.6350154132977047
Energy: 0.6329737884261236
Energy: 0.7189439187975718
Energy: 1.4160469069701727
Energy: 0.6284264612808539
Energy: 0.6312644380493176
Energy: 0.718080062550934
Energy: 0.6277167308676752
Energy: 0.7173001294748582
Energy: 1.4159283330484997
Energy: 0.6990540526034206
Energy: 0.6934831975178639
Energy: 0.710411730770921
Energy: 0.3968834503702265
Energy: 0.7080310604723328
Energy: 1.2164961188129026
Energy: 0.7197256284866496
Energy: 0.7220379247968441
Energy: 0.6515949819302281
Energy: 0.7183537948640977
Energy: 0.6295627354625934
Energy: 1.165717740949023
Energy: 0.6369405544226658
Energy: 0.6362110046628521
Energy: 0.6334913984728711
Energy: 0.636833593761272
Energy: 0.6340552163342758
Energy: 1.1654263441337198
Energy: 0.651220217769851
Energy: 0.6283161646870162
Energy: 0.6320480201056796
Energy: 0.6549432202429291
Energy: 0.6294152628951669
Energy: 1.262485580064592
Energy: 0.6084158399538694
Energy: 0.606653616534651
Energy: 0.629726448856619
Energy: 0.7747498756059208
Energy: 0.6189187415857542
Energy: 0.8764683638165602
Energy: 0.7119400884725462
Energy: 0.7920643128949065
Energy: 0.626824419238313
Energy: 0.6105915056814055
Energy: 0.717126360648544
Energy: 0.8761646383340413
Energy: 0.7326143769497653
Energy: 0.7303589105965
Energy: 0.622324251126127
Energy: 0.6302585106049592
Energy: 0.7190284843659741
Energy: 0.8816249347379465
Energy: 0.6753736949425556
Energy: 0.678263911309438
Energy: 0.6228726141001282
Energy: 0.6798815084460467
Energy: 0.7179732025865315
Energy: 0.958157656655807
Energy: 0.6391242987932947
Energy: 0.7024131774218904
Energy: 0.6276381492438765
Energy: 0.7069007026428981
Energy: 0.718724013135972
Energy: 0.9592027381093514
Energy: 0.8009294739765623
Energy: 0.8012584071942884
Energy: 0.6286158996333879
Energy: 0.8012922394689429
Energy: 0.8014737208097775
Energy: 0.7693113055692126
Energy: 0.7308066894957419
Energy: 0.7147928987335724
Energy: 0.7020141846174961
Energy: 0.679319216348185
Energy: 0.7294942397446644
Energy: 1.2754112172371765
Energy: 0.7223611955894257
Energy: 0.8019278443485226
Energy: 0.6950583301654952
Energy: 0.6332128247258393
Energy: 0.8017066351573291
Energy: 1.276892438448478
Energy: 0.639886145847082
Energy: 0.7265389312607663
Energy: 0.6230551650573264
Energy: 0.6301991355542761
Energy: 0.6214715819247808
Energy: 1.4017173462199704
Energy: 0.6256734152921684
Energy: 0.6366393684000758
Energy: 0.6296810515418593
Energy: 0.6280965446245902
Energy: 0.7170078093119815
Energy: 1.553588799541852
Energy: 0.6393397109018737
Energy: 0.6257326531661039
Energy: 0.774713751328674
Energy: 0.6380341044658296
Energy: 0.6260344306825033

minimum gb energy = 0.3968834503702265 eV
minimum distance =  2.37718135645509 Angstroms
sigma value = 19


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

Energy: 1.4063055516231235
Energy: 0.8631679122699152
Energy: 0.8636805415781019
Energy: 0.8420932578630325
Energy: 0.8290235433830699
Energy: 0.8366471239521955
Energy: 0.8601200344451843
Energy: 0.8296310893107293
Energy: 0.8290139216840354
Energy: 0.8597579577430534
Energy: 0.8297945795543289
Energy: 0.8648979274076702
Energy: 0.8005826500639156
Energy: 0.8295758224538641
Energy: 0.8293071428951504
Energy: 0.8831347773134319
Energy: 0.8298440484589451
Energy: 0.8301283055841697
Energy: 1.0931894207942137
Energy: 0.9387850384520879
Energy: 0.9378883742240107
Energy: 0.8428952101657305
Energy: 0.938906469925935
Energy: 0.9364263441193339
Energy: 0.8336394886750048
Energy: 0.8658906095449903
Energy: 0.8657393259798603
Energy: 0.8591070492112013
Energy: 0.8659710847309019
Energy: 0.8758210348985537
Energy: 1.08896916535163
Energy: 0.815609489755383
Energy: 0.8611065582596985
Energy: 0.8550694055071338
Energy: 0.8152712307089559
Energy: 0.8659817731791667
Energy: 1.0883812905130208
Energy: 0.8588685765969628
Energy: 0.8580116594422377
Energy: 0.8661550458240564
Energy: 0.8167740567046772
Energy: 0.8656685075165698
Energy: 0.9368353019819051
Energy: 0.8626973703337242
Energy: 0.8642138239211692
Energy: 0.8297720963019781
Energy: 0.8130127492313145
Energy: 0.8167754286854048
Energy: 0.8298100093069533
Energy: 0.8627896987749218
Energy: 0.8627740151746885
Energy: 0.829834657784591
Energy: 0.8630955549689963
Energy: 0.8514753151827505
Energy: 0.8318604299617551
Energy: 0.8771101048932769
Energy: 0.8770816499254706
Energy: 0.8320953092776976
Energy: 0.8588762603578389
Energy: 0.8290191803001806
Energy: 0.8316141103448164
Energy: 0.8441773146432696
Energy: 0.8416494293542308
Energy: 0.8310998250451749
Energy: 0.8445520356503828
Energy: 0.8285829587014458
Energy: 1.1386642420898239
Energy: 0.8768982063031384
Energy: 0.8771565511377096
Energy: 0.8292555054833814
Energy: 0.8585917982801065
Energy: 0.8650237991051729
Energy: 0.8174053951563265
Energy: 0.8651887509726464
Energy: 0.8653828929362766
Energy: 0.8186285664025214
Energy: 0.8658843805386488
Energy: 0.8615293867052827
Energy: 1.1384819856631263
Energy: 0.8569450513009265
Energy: 0.8657115167402389
Energy: 0.8170785592530629
Energy: 0.8562785555712091
Energy: 0.8625351562192032
Energy: 1.356747092930584
Energy: 0.8296950118257653
Energy: 0.8651387125051017
Energy: 0.8631565669763024
Energy: 0.8303904251713712
Energy: 0.8630089912323892
Energy: 1.3585518100833163
Energy: 0.8297266787303265
Energy: 0.8162211723795166
Energy: 0.8143477337703144
Energy: 0.8300153106329546
Energy: 0.8633028295291069
Energy: 0.8270237959486835
Energy: 0.8297713017921137
Energy: 0.8290438348116885
Energy: 0.858857475871434
Energy: 0.8314997994855114
Energy: 0.865466829175736
Energy: 1.0947492062587925
Energy: 0.8295208916817535
Energy: 0.8295307951002421
Energy: 0.8431939707464333
Energy: 0.829719191353862
Energy: 0.8298893559798078
Energy: 1.0956809483513006
Energy: 0.8295906487788042
Energy: 0.8298810895279461
Energy: 0.8435507800225566
Energy: 0.8299581057584395
Energy: 0.8664269440001731
Energy: 1.0893157025467808
Energy: 0.8154689814836268
Energy: 0.8617192442760085
Energy: 0.8585459729211314
Energy: 0.8152309339127618
Energy: 0.85837652230352
Energy: 1.0884043092226692
Energy: 0.8660333775675583
Energy: 0.8652978580866293
Energy: 0.8575697811823689
Energy: 0.8661286835054537
Energy: 0.8654627699991637
Energy: 1.087689629969336
Energy: 0.8769063753718606
Energy: 0.8653165815965663
Energy: 0.8653223578479131
Energy: 0.8587043113222582
Energy: 0.8653503077466848
Energy: 1.0238739114168136
Energy: 0.8151078850566852
Energy: 0.8136751105798181
Energy: 0.9339256553039382
Energy: 0.8149372985748997
Energy: 0.8437687066779561
Energy: 0.8297059445798142
Energy: 0.8769460260773012
Energy: 0.8649413142339588
Energy: 0.8297239135627797
Energy: 0.8623738494237618
Energy: 0.829057699290217
Energy: 0.8297448619198263
Energy: 0.8768375718889534
Energy: 0.8652170680392427
Energy: 0.8297735572203321
Energy: 0.87684133464327
Energy: 0.8292316096339615
Energy: 0.8170783232008634
Energy: 0.8434212067578601
Energy: 0.8412091589033317
Energy: 0.8314770136393416
Energy: 0.8435465957203283
Energy: 0.9353529945752738
Energy: 1.137636656598946
Energy: 0.8587315690916302
Energy: 0.8771492672618079
Energy: 0.8294290915526146
Energy: 0.8590383934306071
Energy: 0.8655112045614235
Energy: 0.8153447227080944
Energy: 0.8658571788208952
Energy: 0.8656802166954938
Energy: 0.8153138092713482
Energy: 0.8664481698916934
Energy: 0.8612100230006228
Energy: 0.8005494126506465
Energy: 0.8657275643741622
Energy: 0.8655216299151495
Energy: 0.8170815316925873
Energy: 0.8654726072213859
Energy: 0.8644419347734053
Energy: 1.3575045524127962
Energy: 0.8298842277209361
Energy: 0.816456048867525
Energy: 0.8131961301089409
Energy: 0.8295844493763077
Energy: 0.8629435860933476

minimum gb energy = 0.8005494126506465 eV
minimum distance =  2.33834731406927 Angstroms
sigma value = 27


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

Energy: 1.14945333927402
Energy: 0.6445014765473599
Energy: 0.9650472628791388
Energy: 0.6353993166333683
Energy: 0.6669934507711905
Energy: 0.9264260896407515
Energy: 0.8645154979163514
Energy: 0.6658717565208636
Energy: 0.6680504522642486
Energy: 0.6677142291684959
Energy: 0.7467184529381625
Energy: 0.6664475198219413
Energy: 1.3834383276690978
Energy: 0.6652194615316769
Energy: 0.6676831260491258
Energy: 0.6653483140591209
Energy: 0.664458396063341
Energy: 0.6662604230233178
Energy: 1.2151405146586203
Energy: 0.7957802584124334
Energy: 0.7999708104465678
Energy: 0.6645417267513981
Energy: 0.7951891072342455
Energy: 0.6638037004835791
Energy: 1.0290403611551238
Energy: 0.6431095212537121
Energy: 0.6676375649832365
Energy: 0.6686802136487542
Energy: 0.6328347765568665
Energy: 0.670062874450491
Energy: 0.8877378308309243
Energy: 0.6530174155839547
Energy: 0.6383587020917671
Energy: 0.8187031982788043
Energy: 0.6527963389972219
Energy: 0.6432074899066553
Energy: 0.8187237321142501
Energy: 0.6679282214740813
Energy: 0.6672364860602665
Energy: 0.7476020937631102
Energy: 0.6658544082404787
Energy: 0.6650972128556447
Energy: 1.001533913981915
Energy: 0.6594200557384355
Energy: 0.6693790287279338
Energy: 0.9452163762321145
Energy: 0.6610638016039085
Energy: 0.6659294714505035
Energy: 0.9547098461954387
Energy: 0.67052000540725
Energy: 0.6672755151378997
Energy: 0.6648405265094122
Energy: 0.6664545173905979
Energy: 0.6696199974668932
Energy: 0.7835040115795091
Energy: 0.6678194946645795
Energy: 0.6670611394783319
Energy: 0.6652194907934648
Energy: 0.6656335427783235
Energy: 0.6664051823268697
Energy: 0.9552757291114412
Energy: 0.6701903218063943
Energy: 0.6673924382355129
Energy: 0.6664343507918501
Energy: 0.6761539952935646
Energy: 0.6681459193731545
Energy: 0.8645155080321902
Energy: 0.665412676521122
Energy: 0.6688332087357909
Energy: 0.6682143169972063
Energy: 0.6653781499355178
Energy: 0.6634177540897911

minimum gb energy = 0.6328347765568665 eV
minimum distance =  2.4173559627997 Angstroms
sigma value = 9


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

Energy: 2.0167453502754857
Energy: 0.46333772153853975
Energy: 0.7489605931018184
Energy: 0.8465558294932495
Energy: 0.5666638037638289
Energy: 0.7325051045588358
Energy: 0.9547467642925902
Energy: 0.5322969416976904
Energy: 0.5890628535259608
Energy: 0.5483312165207336
Energy: 0.5532409244090672
Energy: 0.580265190760233
Energy: 1.0799383452336417
Energy: 0.5595215201851257
Energy: 0.5613938677320146
Energy: 0.5816249519639142
Energy: 0.567075796755452
Energy: 0.5639137502308212
Energy: 1.0774974422483927
Energy: 0.6367961368525906
Energy: 0.6377958584499008
Energy: 0.5419860920668415
Energy: 0.6341711532385736
Energy: 0.6392943230563202
Energy: 0.6516247478531761
Energy: 0.5391681938806179
Energy: 0.5396912283935894
Energy: 0.5845201831103908
Energy: 0.5503632132678057
Energy: 0.5774361927046724
Energy: 0.6862731694056093
Energy: 0.5435145124327572
Energy: 0.5453990184895263
Energy: 0.5308413518623577
Energy: 0.5244741435827799
Energy: 0.5454552364575794
Energy: 0.6884055399000979
Energy: 0.5751424795427618
Energy: 0.570127658564847
Energy: 0.5301701177278729
Energy: 0.5505638471243927
Energy: 0.5744505067942235
Energy: 0.7362152626325411
Energy: 0.5470102708319791
Energy: 0.5387187604559053
Energy: 0.6406866237629018
Energy: 0.5357558139436286
Energy: 0.6290263007512549
Energy: 0.9609996337518046
Energy: 0.5502143456439665
Energy: 0.549387099585074
Energy: 0.5589192651004198
Energy: 0.5458738334054173
Energy: 0.5606476614952295
Energy: 1.246251646675155
Energy: 0.6370712602170737
Energy: 0.6372849052489863
Energy: 0.5055835188834714
Energy: 0.6351574401669468
Energy: 0.7042133774300159
Energy: 1.2440046770527744
Energy: 0.5529339932144566
Energy: 0.5557555115695111
Energy: 0.5817194405738908
Energy: 0.5598685679733454
Energy: 0.5576745998699316
Energy: 0.9564325791608733
Energy: 0.5491169889455721
Energy: 0.5770251907004416
Energy: 0.5576476156754903
Energy: 0.5267274970348832
Energy: 0.5783371334830267
Energy: 1.059965949790855
Energy: 0.5434059699765407
Energy: 0.5832586712975838
Energy: 0.5539978799221446
Energy: 0.5332434004803133
Energy: 0.7497629555149852
Energy: 0.9565626997471659
Energy: 0.5719273934412585
Energy: 0.579260422345766
Energy: 0.5694821889399904
Energy: 0.5842089151980885
Energy: 0.5794710201536548
Energy: 0.6955887042001154
Energy: 0.539470259857744
Energy: 0.5469470876623168
Energy: 0.5591266263813879
Energy: 0.5397465177334466
Energy: 0.6363906177262061
Energy: 0.6985076462944593
Energy: 0.5787316531339999
Energy: 0.5777724175899877
Energy: 0.5660364429093507
Energy: 0.5805133555751291
Energy: 0.5633677311317901
Energy: 0.6940806502543417
Energy: 0.5582617590582696
Energy: 0.5510945343597426
Energy: 0.5589928976751042
Energy: 0.5574877482208308
Energy: 0.574004740211375
Energy: 0.7214090222272901
Energy: 0.5152292754236812
Energy: 0.4793335577861251
Energy: 0.568239807841851
Energy: 0.5395825860431143
Energy: 0.5368125743868662
Energy: 0.8333859558733664
Energy: 0.5869817093717695
Energy: 0.6092672337069152
Energy: 0.5542525359316283
Energy: 0.5873701637253912
Energy: 0.5729830681008772
Energy: 0.8031396566863843
Energy: 0.5616883552385437
Energy: 0.561808136415685
Energy: 0.5623344218512891
Energy: 0.5620316621882441
Energy: 0.5721144790416958
Energy: 0.962099548982675
Energy: 0.5781464154808815
Energy: 0.5750244247898363
Energy: 0.600562166125076
Energy: 0.5737044465543452
Energy: 0.5812262535310571
Energy: 0.854018341586777
Energy: 0.5599263890908075
Energy: 0.5443499495887947
Energy: 0.5476544741006607
Energy: 0.557107680047353
Energy: 0.5230205202121574
Energy: 0.5386502173160206
Energy: 0.5317436344246117
Energy: 0.5763639827048234
Energy: 0.5555708201336181
Energy: 0.5556051563438514
Energy: 0.5788094045649701
Energy: 0.9665672857115992
Energy: 0.5587402325759911
Energy: 0.5563119443157696
Energy: 0.5750234897337874
Energy: 0.5615384381873444
Energy: 0.5774652934971641
Energy: 1.0800030118690997
Energy: 0.5384277857826845
Energy: 0.5489286961337656
Energy: 0.6308908516609478
Energy: 0.5588409069643276
Energy: 0.6334542348033061
Energy: 0.9663522152437773
Energy: 0.5641675572172715
Energy: 0.5615005382287054
Energy: 0.5832315882258605
Energy: 0.5692252768285863
Energy: 0.5792546338400214
Energy: 0.8958043163524877
Energy: 0.5214465328635177
Energy: 0.5239115188609955
Energy: 0.7502150335365741
Energy: 0.5215907963800701
Energy: 0.5205984714525996
Energy: 0.6869523509342396
Energy: 0.560667386965793
Energy: 0.561095679227822
Energy: 0.5112132162095806
Energy: 0.5589792503637268
Energy: 0.5791942089917238
Energy: 0.6866238580554866
Energy: 0.5519764494270855
Energy: 0.5498946378329677
Energy: 0.5646447673164663
Energy: 0.5611965976848553
Energy: 0.556649150950632
Energy: 0.7135955451958828
Energy: 0.5469383469591652
Energy: 0.5155197957768355
Energy: 0.6445979449876336
Energy: 0.5343367909031027
Energy: 0.6024488796734216
Energy: 1.243316884641986
Energy: 0.5322230976321807
Energy: 0.5560048889177357
Energy: 0.5813629566678403
Energy: 0.5598514522710741
Energy: 0.5619700007478997
Energy: 1.248168140986152
Energy: 0.7597900490083807
Energy: 0.7602620349081114
Energy: 0.4800283080732522
Energy: 0.7631060916350368
Energy: 0.7041299881894864
Energy: 0.9614795534316155
Energy: 0.5464706117922463
Energy: 0.5747309387488917
Energy: 0.5506237137450937
Energy: 0.525402127897455
Energy: 0.5727814914567148
Energy: 1.0541906601440902
Energy: 0.5875521377695097
Energy: 0.561738152551218
Energy: 0.5468748823372449
Energy: 0.6887984223139803
Energy: 0.5995462376133028
Energy: 1.111261788793564
Energy: 0.5709258944611793
Energy: 0.5712794902245005
Energy: 0.5678704136932525
Energy: 0.5766378100922959
Energy: 0.5780078495387746
Energy: 0.7465429732906164
Energy: 0.5588372273751366
Energy: 0.5593801654371998
Energy: 0.6309871750600078
Energy: 0.5361061151205411
Energy: 0.635099586634925
Energy: 0.6980911196778944
Energy: 0.5584098879502226
Energy: 0.55681413339302
Energy: 0.5976963518861327
Energy: 0.5500726217205602
Energy: 0.5625244869031517
Energy: 0.6944456442689624
Energy: 0.568555636589286
Energy: 0.5682732407235105
Energy: 0.5733534835125489
Energy: 0.5684904067109513
Energy: 0.5865359598080626
Energy: 0.7111520283944541
Energy: 0.6363504537881535
Energy: 0.6361209120429332
Energy: 0.15884938005567653
Energy: 0.6352734049859187
Energy: 0.7050187457833215
Energy: 0.8331690700759973
Energy: 0.5696396967482221
Energy: 0.56867767644301
Energy: 0.5552723586567652
Energy: 0.5692924975423025
Energy: 0.5868952651802953
Energy: 0.8020262330450483
Energy: 0.5770837492512418
Energy: 0.5825842258365582
Energy: 0.5640579151642912
Energy: 0.5446273786417375
Energy: 0.5810886225331283
Energy: 0.8339935695258985
Energy: 0.5721978909830804
Energy: 0.5723413108861756
Energy: 0.5761189209101728
Energy: 0.562008740689915
Energy: 0.5789267831606278
Energy: 0.9706735986936418
Energy: 0.5719895447717502
Energy: 0.5632264502433921
Energy: 0.5553002440959451
Energy: 0.5534275017970993
Energy: 0.5788824434645077

minimum gb energy = 0.15884938005567653 eV
minimum distance =  2.38124770919395 Angstroms
sigma value = 57


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

Energy: 0.9704143080897883
Energy: 0.745343808979673
Energy: 0.31288703598017015
Energy: 0.3098241352117837
Energy: 0.4718228481826734
Energy: 0.7467991153618978
Energy: 0.8009709427818869
Energy: 0.46822737488132915
Energy: 0.47042306764075165
Energy: 0.46981036684231836
Energy: 0.4767215687499862
Energy: 0.4304942417818525
Energy: 0.6545967583809951
Energy: 0.671207659942024
Energy: 0.42310157870335247
Energy: 0.4793214923587916
Energy: 0.4781127010786605
Energy: 0.638723126911835
Energy: 0.43311804214991567
Energy: 0.48004197409157295
Energy: 0.45992918421505374
Energy: 0.47747343096204203
Energy: 0.7220646866303232
Energy: 0.6774752958765223
Energy: 0.709482332474297
Energy: 0.46091270922580585
Energy: 0.46056264642162775
Energy: 0.4693430340026323
Energy: 0.4613483419495616
Energy: 0.6696450340235199
Energy: 0.6867072255866703
Energy: 0.4639978759658552
Energy: 0.4641669764356823
Energy: 0.4648616352541008
Energy: 0.4648055723460395
Energy: 0.46465355621232635
Energy: 0.5101711082260507
Energy: 0.6684091248730513
Energy: 0.6690779184312093
Energy: 0.6867425837176162
Energy: 0.4726371424224836
Energy: 0.42370717355610965
Energy: 0.7782288812345386
Energy: 1.0239876443674616
Energy: 0.6434520241954602
Energy: 0.7086518095206161
Energy: 0.9014603474787568
Energy: 0.6645599463622993
Energy: 0.6507488913528371
Energy: 0.7243087002283973
Energy: 0.7186413698758035
Energy: 0.7231555273873682
Energy: 0.719991665789815
Energy: 0.7182742485620609
Energy: 0.6578523239744603
Energy: 0.7259169512576015
Energy: 0.31294274992043136
Energy: 0.3119286277397214
Energy: 0.45605314572651856
Energy: 0.6267954245184842
Energy: 0.6561197691514026
Energy: 0.7278241218468191
Energy: 0.7135294188129904
Energy: 0.31363978948006854
Energy: 0.7039194762240328
Energy: 0.6273383989758504
Energy: 0.661919667933701
Energy: 0.7103126318102526
Energy: 0.7130424210345137
Energy: 0.7035115727981193
Energy: 0.7198191926406317
Energy: 0.6851956661401789
Energy: 0.664666297993814
Energy: 0.7756612575666183
Energy: 0.7371322591524587
Energy: 0.4392594775090585
Energy: 0.4774500104424592
Energy: 0.6497580517445063
Energy: 0.6455612723001225
Energy: 0.47438358160972083
Energy: 0.6633123172314833
Energy: 0.6763139970764942
Energy: 0.4700271664036299
Energy: 0.6634842024193456
Energy: 0.6911884018869849
Energy: 0.46880504561417874
Energy: 0.4718363185311579
Energy: 0.44358594562524617
Energy: 0.46880276699189427
Energy: 0.4706016591508448
Energy: 0.6988678106676177
Energy: 0.4195860857835773
Energy: 0.6577240670957211
Energy: 0.4694569914695048
Energy: 0.45831847690311617
Energy: 0.6546063836389726
Energy: 0.7056521170150092
Energy: 0.7251254555801899
Energy: 0.7612551747050632
Energy: 0.4753377303331069
Energy: 0.47505520710477184
Energy: 0.4861770481546201
Energy: 0.6611344940902474
Energy: 0.4658742220992791
Energy: 0.47517829456944494
Energy: 0.47607629249909306
Energy: 0.4717675203009088
Energy: 0.6713903525816348
Energy: 0.7969799957003714
Energy: 0.42077378440989416
Energy: 0.46998108926255655
Energy: 0.3143368475018377
Energy: 0.4728669901137475
Energy: 0.4240678773144458

minimum gb energy = 0.3098241352117837 eV
minimum distance =  2.38636075358552 Angstroms
sigma value = 11


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

Energy: 1.2168295176960506
Energy: 0.5395000334480043
Energy: 0.7782477174778986
Energy: 0.6051574401751096
Energy: 0.9379832225382809
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Energy: 0.5001344965731309
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Energy: 0.31887769060531895
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Energy: 0.19095839433647724
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Energy: 0.17596645866826044
Energy: 0.6195094841690622
Energy: 0.2664569895142756
Energy: 0.21356796847245094

minimum gb energy = -0.09071749574315796 eV
minimum distance =  2.36496009724698 Angstroms
sigma value = 41


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

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Energy: 0.8731438518350253
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Energy: 0.45495116723920004
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Energy: 0.12165694531116751
Energy: 0.20740507464578412
Energy: -0.2178340292471185
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Energy: 0.4439895326749442
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Energy: 0.09039928890649385
Energy: -0.48743357037808466
Energy: 0.2261887383364039
Energy: 0.08554422195969683

minimum gb energy = -0.49130037496923396 eV
minimum distance =  2.38969102648745 Angstroms
sigma value = 33


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

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Energy: 0.4437370841537419
Energy: 0.4647550479069409
Energy: 0.4646304990927231
Energy: 0.8371443818418346
Energy: 0.7547198083256724
Energy: 0.7548323604519429
Energy: 0.8052559423238035
Energy: 0.08464881061618382
Energy: 0.40789794744865765
Energy: 0.10850154804915559
Energy: -0.7078507759507244
Energy: 0.07820221136981936
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Energy: -0.6996558681698155
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Energy: 0.7374822801283369
Energy: 1.022414517829073
Energy: 0.15460740225429928
Energy: 0.7342470943386891
Energy: 0.15862075692382074

minimum gb energy = -1.1785865564285454 eV
minimum distance =  2.35566300961067 Angstroms
sigma value = 67


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

Energy: 1.117898343251557
Energy: 0.5907835046043168
Energy: 0.5832315545665216
Energy: 0.6544465165340639
Energy: -0.04058469246708231
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Energy: 0.0593806873064575
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Energy: 0.5787651212080474
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Energy: 0.49534951640785657
Energy: 0.49206575071282704
Energy: 0.5782410205650895
Energy: 0.1180118183894227
Energy: 0.49043306032213374
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Energy: 0.49176721969303244
Energy: 0.4901627861096367
Energy: -0.12677343062857263
Energy: 0.49161590218854767
Energy: 0.4911244126126023

minimum gb energy = -0.15242061777157867 eV
minimum distance =  2.39944495971206 Angstroms
sigma value = 3


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

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Energy: -1.3524040065820893

minimum gb energy = -2.3960767093616737 eV
minimum distance =  2.28860024433751 Angstroms
sigma value = 81


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

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Energy: 0.21548832563140313
Energy: 0.32776770818337886

minimum gb energy = -1.4502624079080455 eV
minimum distance =  2.35811969932994 Angstroms
sigma value = 43


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

Energy: 0.8594505388158379
Energy: 0.49665022799678654
Energy: 0.3050393592556046
Energy: 0.3282515796713386
Energy: -0.6211086880444636
Energy: 0.25119387796335624
Energy: 0.5214700528164894
Energy: 0.4073076668730915
Energy: 0.40780929194244336
Energy: -0.21311576961369166
Energy: 0.15274992128243578
Energy: 0.5575664829773576
Energy: 0.3704870167947163
Energy: -0.4042251685595584
Energy: -0.47399925105286544
Energy: -0.42556917668489047
Energy: -0.44184771714628546
Energy: -0.4147200027314954
Energy: 0.2533057332172276
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Energy: -0.3285124142709745
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Energy: 0.44287957430587777
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Energy: -0.15724473435723516
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Energy: -0.1537576836857673
Energy: -0.1558387749463511
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Energy: -0.15591237109092884
Energy: 0.478635340656106
Energy: 0.2636821514427485
Energy: 0.26153323065481754
Energy: -0.4931253302936688
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Energy: 0.31277259957697723
Energy: 0.7197045402251456
Energy: 0.4393082351041737
Energy: 0.4393310130834896
Energy: -0.2929928906765521
Energy: 0.4384386147379103
Energy: -0.33683796076782924
Energy: 0.5921578560926698
Energy: -0.11025676344959125
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Energy: 0.4697193641395758
Energy: 0.10062495508012657
Energy: -0.3530475327136009
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Energy: 0.6248410490256426
Energy: -0.6113843001688357
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Energy: -0.1564529262018125
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Energy: -0.5547907059175167
Energy: -0.6923542112224538
Energy: 0.47085169033833435
Energy: 0.4593671343432553
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Energy: 0.3042015254239588
Energy: 0.45379480308715064
Energy: 0.5401000234312597
Energy: 0.6734286693167614
Energy: -0.4556877474015967
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Energy: 0.5768438026615338
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Energy: -0.46245823458847185
Energy: -0.937038324012044
Energy: -0.26119604522618284
Energy: -0.6645772941860096
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Energy: -0.32249155336806345
Energy: -0.4840120190521437
Energy: 0.7901397292375599
Energy: -0.46958717447265286
Energy: -0.49219637931172294
Energy: 0.12736390135521256
Energy: -0.5347536614888303
Energy: 0.31568710299737723
Energy: -1.0432548888102684
Energy: -0.20441829967272843
Energy: -0.5389528427806504
Energy: -0.7072030699813479
Energy: -0.5498342800939541
Energy: -0.5092754802992425
Energy: -0.9129892674867718
Energy: -0.5173425860811716
Energy: -0.577778260113396
Energy: -0.6698978111728869
Energy: -0.7372564697446796
Energy: -0.4753089687441569
Energy: -0.6946962968526716
Energy: -0.5333626414556126
Energy: -0.5342932436635875
Energy: -0.4899155284669182
Energy: -0.5741947581382968
Energy: -0.5606684686299448
Energy: 0.29296352841696294
Energy: 0.43356774988508706
Energy: 0.3307325746950351
Energy: 0.26084917928641765
Energy: -0.47991184696210454
Energy: 0.3341806858672717
Energy: 0.25695922261031157
Energy: -0.5143556637292681
Energy: -0.5302603651779889
Energy: -0.3561120705191997
Energy: -0.571078188473489
Energy: 0.3310846032072561
Energy: 0.6691734255416122
Energy: -0.44145487439652725
Energy: 0.44693282733740686
Energy: 0.53344998736133
Energy: -0.40674789012591067
Energy: 0.4336659557003129

minimum gb energy = -1.0432548888102684 eV
minimum distance =  2.30942021980983 Angstroms
sigma value = 57


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

Energy: 0.7983577046788112
Energy: 0.5998961357869014
Energy: 0.5999264544886644
Energy: 0.3989607810689956
Energy: 0.5320094050478626
Energy: 0.5447532128640498
Energy: 0.4674131999280766
Energy: 0.3164481537234614
Energy: 0.3163784303019938
Energy: 0.325729042207831
Energy: 0.3168546293389409
Energy: 0.31699373207761644
Energy: -0.06505064454738066
Energy: -1.4409090859721245
Energy: -1.4812487781371713
Energy: 0.3537004192561592
Energy: -1.525994593292964
Energy: -1.5243312997947367
Energy: 0.6031880967319784
Energy: -1.5248030249632745
Energy: -1.5334676706381087
Energy: 0.3240091147797282
Energy: -1.5071091073131164
Energy: 0.31620817922154015
Energy: -1.486372523354525
Energy: -0.532977970405357
Energy: -0.6042226338204258
Energy: -0.5310029333222775
Energy: -1.2000744953375837
Energy: -1.3179626851678699
Energy: -0.19948024283959329
Energy: -0.6043840851859249
Energy: -0.6056595034141
Energy: -0.4513273927722626
Energy: -0.6678529957421767
Energy: -1.3914633904838054
Energy: 0.6219253663239507
Energy: 0.31579058147506356
Energy: 0.31496811919338913
Energy: 0.3151379960908727
Energy: 0.3154783014073632
Energy: 0.31573109109079134
Energy: -0.46266848559349394
Energy: -0.8147021336660042
Energy: -1.0555970120245657
Energy: -1.4465241793649488
Energy: -1.2747072109523572
Energy: 0.36883674847684306
Energy: 0.6219035647027666
Energy: 0.3767028810131024
Energy: 0.376525734417703
Energy: 0.32484255481830215
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Energy: 0.41219805920962627
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Energy: 0.3171284307092083
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Energy: -0.22254698015360677
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Energy: 0.31611135465923423
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Energy: 0.3156814535567952
Energy: 0.31638845587924885
Energy: 0.22675689870385998
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Energy: -1.411138680690271
Energy: -0.6691638224511715
Energy: -0.44705231271974216
Energy: -1.4137775695392654
Energy: 0.23813175928990382
Energy: -0.5302233028382122
Energy: -1.3815396920701415
Energy: -1.0504482635186339
Energy: -0.5295305747947633
Energy: -1.4049681569146824
Energy: 0.6173405666474513
Energy: -1.3253125638789638
Energy: 0.3658927428607811
Energy: 0.3156086260733894
Energy: 0.3653585401712761
Energy: 0.3684969311997032
Energy: 0.6174092456504774
Energy: -1.3256281484318913
Energy: 0.3509551412963925
Energy: 0.31100855119641624
Energy: -1.2893811982526806
Energy: 0.35095502304603665
Energy: 0.617775121189699
Energy: -0.14905841924608518
Energy: 0.31813180783417583
Energy: 0.3169952136691124
Energy: -1.3822446449024577
Energy: 0.31687885199725496
Energy: 0.32424608218672035
Energy: 0.47220345388659113
Energy: 0.4845625868790292
Energy: 0.10274632479649755
Energy: 0.41308583420650924
Energy: 0.4848384580357132
Energy: 0.660883615968478
Energy: -0.22207915678961432
Energy: -0.22478541889909645
Energy: 0.31156809737466157
Energy: -0.22489049530851676
Energy: 0.3175315659250244
Energy: 0.4331277189937284
Energy: 0.36706008260597695
Energy: 0.4901674305875731
Energy: 0.661180746229012
Energy: 0.3661800213798449
Energy: 0.49008622526641094

minimum gb energy = -1.533495561879271 eV
minimum distance =  2.39930078592703 Angstroms
sigma value = 17


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

Energy: 0.8236871395281926
Energy: 0.5146957730787899
Energy: 0.5153664069755378
Energy: 0.42096031455925614
Energy: 0.37562002318239057
Energy: 0.4074604369485395
Energy: 0.5096785158566385
Energy: 0.379497073927308
Energy: 0.34980925320511846
Energy: 0.3581042855018817
Energy: 0.3840359580086153
Energy: 0.35400442695964957
Energy: 0.5171104669796067
Energy: 0.2689069281993863
Energy: 0.2677773062464141
Energy: 0.12272374384999679
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Energy: 0.6211400608817421
Energy: 0.269280605642463
Energy: 0.26943574386139074
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Energy: 0.6402674989855298
Energy: 0.22557363106423473
Energy: 0.2376542747400261
Energy: 0.31160590893363915
Energy: 0.17809310231611877
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Energy: 0.4674156704769001
Energy: 0.19359010116080166
Energy: 0.1937047254589366
Energy: 0.28270660102040396
Energy: 0.19325703927494722
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Energy: 0.4031282003069766
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Energy: -0.09933612323154502
Energy: -0.00710891193817075
Energy: 0.4582829604087723
Energy: -0.009617874545955559
Energy: 0.008489655764953625
Energy: -0.04200107526737095
Energy: -0.011768926289497389
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Energy: 0.4053951257254796
Energy: -0.04447436051108386
Energy: -0.007316075336399363
Energy: -0.1003342185858441
Energy: -0.04078572446279865
Energy: -0.007799913962568777
Energy: 0.48150950431573786
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Energy: -0.8400624568513259
Energy: 0.21457103534547475
Energy: -0.823303755248806
Energy: -0.6692288388238828
Energy: 0.48237585837849173
Energy: 0.20399340812983063
Energy: 0.20293076730930384
Energy: 0.2260708520610075
Energy: 0.2382571026105599
Energy: 0.20421523461205618
Energy: 0.5257814289162025
Energy: 0.3827011370250079
Energy: 0.38332045058842584
Energy: 0.2801155565074561
Energy: 0.20974727129023873
Energy: 0.37892958877428945
Energy: 0.4942002930933738
Energy: 0.34821971379568023
Energy: 0.35448892805901994
Energy: 0.2778686598640984
Energy: 0.34714612604017364
Energy: 0.35467278126361323
Energy: 0.686747182705254
Energy: 0.3554165001968759
Energy: 0.3524391143174268
Energy: 0.34992946110640677
Energy: 0.3554044572331642
Energy: 0.3535911781759084
Energy: 0.7530274865284795
Energy: 0.42902913961265254
Energy: 0.49367328264614746
Energy: 0.2030654013154051
Energy: 0.4724093783388819
Energy: 0.49347971684014985
Energy: 0.7020567591412131
Energy: 0.355231203305232
Energy: 0.35340408357262093
Energy: 0.37671715982601
Energy: 0.35519978133761315
Energy: 0.3795400360036731
Energy: 0.6867037281279136
Energy: 0.3545542132747577
Energy: 0.46783211156389237
Energy: 0.42956804059301573
Energy: 0.35447904817240095
Energy: 0.4690115096763189

minimum gb energy = -0.8400624568513259 eV
minimum distance =  2.37241363451286 Angstroms
sigma value = 17


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

Energy: 0.5962479421757957
Energy: 0.5314290185949218
Energy: 0.41790788510611765
Energy: 0.35898423225366033
Energy: 0.401073174658337
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Energy: 0.264960449752515
Energy: 0.22429623126180928
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Energy: 0.2652146363255969
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Energy: 0.1927860791946854
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Energy: 0.33395710137421886
Energy: 0.3233391121803423
Energy: 0.30963021586046324
Energy: -0.018246633674239832
Energy: 0.32331489717570544
Energy: 0.4870842013829047
Energy: 0.20974400863742682
Energy: 0.2098010711512678
Energy: 0.20100182602006594
Energy: 0.44190969456849677
Energy: 0.2100363260676966
Energy: 0.47733846396415164
Energy: 0.19003983104187672
Energy: 0.2188403727728267
Energy: 0.22757383587432986
Energy: 0.19007847732587257
Energy: 0.2194250972492924
Energy: 0.5755349161287663
Energy: 0.02897157412162409
Energy: 0.016899827349252054
Energy: 0.017329108437584038
Energy: 0.02741150209173507
Energy: 0.015805802055233933
Energy: 0.5979480659420001
Energy: 0.028373456067117917
Energy: -0.005387158842540079
Energy: -0.05216422624944813
Energy: 0.02805507829588923
Energy: 0.01688202548541189
Energy: 0.6507748963881541
Energy: 0.36892647482177165
Energy: 0.3996689393729023
Energy: 0.19795347488207252
Energy: 0.3751550174080167
Energy: -0.23253372878470957
Energy: 0.5059101301382068
Energy: 0.2530400172355898
Energy: 0.24254673673306312
Energy: 0.21052834148060728
Energy: 0.2545538413668932
Energy: 0.22730507000599676
Energy: 0.4832830140153235
Energy: 0.245068958682204
Energy: 0.21729906157457535
Energy: 0.23371994653637468
Energy: 0.23496379302768128
Energy: 0.22792661386140514
Energy: 0.6261395523610536
Energy: 0.2361300874212891
Energy: 0.20701394780033738
Energy: 0.20715935499534793
Energy: 0.23636138975926413
Energy: 0.2083684904802141
Energy: 0.6680967488933928
Energy: 0.2084385238800018
Energy: 0.20833151956345528
Energy: 0.20703840346948615
Energy: 0.2076591543403953
Energy: 0.20881068494024468
Energy: 0.48159305959113125
Energy: 0.21955330816836258
Energy: 0.21939394960182712
Energy: 0.20807148575714718
Energy: 0.22538299370806997
Energy: 0.22017893317451423
Energy: 0.5846322312075377
Energy: 0.3470115379321266
Energy: 0.3528908379064189
Energy: 0.25488439157977744
Energy: 0.3279145958961674
Energy: 0.36203372921976174
Energy: 0.6085897885134648
Energy: 0.32889136781756495
Energy: 0.32780849010595897
Energy: 0.21075844104995387
Energy: 0.3285565136312927
Energy: 0.3301023691972381
Energy: 0.667640674459168
Energy: 0.2868367954068724
Energy: 0.3857356157326493
Energy: 0.18732940531811354
Energy: 0.2865694810893313
Energy: 0.37878507582171805
Energy: 0.6874088826027053
Energy: 0.37358560249586675
Energy: 0.3374262761258779
Energy: 0.36208915716466006
Energy: 0.36904172773166055
Energy: 0.35619128063468425
Energy: 0.7053393483379254
Energy: 0.32869075724206065
Energy: 0.3285781544736714
Energy: 0.3567769277385109
Energy: 0.328164091986612
Energy: 0.3535203824919659

minimum gb energy = -0.23253372878470957 eV
minimum distance =  2.38317664270221 Angstroms
sigma value = 57


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

Energy: 0.5509453583603622
Energy: 0.4706015225223393
Energy: 0.38519451854464387
Energy: 0.31244065182500347
Energy: 0.5373301555127149
Energy: 0.3863365992665889
Energy: 0.6371204580235108
Energy: 0.303785031414605
Energy: 0.3041423827911764
Energy: 0.29694028165418695
Energy: 0.3082228492390285
Energy: 0.3080220133698363
Energy: 0.7246792257479946
Energy: 0.25946457411154666
Energy: 0.25787031963042945
Energy: 0.3228063417695537
Energy: 0.24585646765457056
Energy: 0.19641712833844366
Energy: 0.6420679740919689
Energy: 0.24488805027542737
Energy: 0.19600316835520168
Energy: 0.19639941332709945
Energy: 0.3092505240258401
Energy: 0.1955294414118434
Energy: 0.6256346016651522
Energy: 0.19710000436451572
Energy: 0.19668246135924147
Energy: 0.2106028867038415
Energy: 0.1974240993185796
Energy: 0.18317656704254762
Energy: 0.5404829405610485
Energy: 0.1703969076620103
Energy: 0.2122616723151821
Energy: 0.22062694059352414
Energy: 0.1905944891516712
Energy: 0.2121432951904832
Energy: 0.5569367457064858
Energy: 0.29939276758741407
Energy: 0.22385552946552656
Energy: 0.2508551328791954
Energy: 0.19582662697558015
Energy: 0.23761644870615134
Energy: 0.5579612632803603
Energy: 0.1972686620534546
Energy: 0.23307790981455803
Energy: 0.22228305307049653
Energy: 0.2204870549448739
Energy: 0.21140466671117475
Energy: 0.5873188402956636
Energy: 0.271964667899262
Energy: 0.1945753058406611
Energy: 0.35274855131800115
Energy: 0.26230994859094475
Energy: 0.35669020133481
Energy: 0.6018627479320556
Energy: 0.1832062581676238
Energy: 0.15160124068201009
Energy: 0.2670548004055815
Energy: 0.18296819841256035
Energy: 0.15186119948565355
Energy: 0.5763998096666968
Energy: 0.4047645149771143
Energy: 0.15182951417481774
Energy: 0.0642267152472789
Energy: 0.4067025724214779
Energy: 0.1530086326358918
Energy: 0.6475193817931492
Energy: -0.012108209069587374
Energy: -0.004253971815182073
Energy: -0.03061948338741774
Energy: 0.3669202118188742
Energy: -0.0216330546333903
Energy: 0.6474686078820372
Energy: 0.409630839590665
Energy: 0.4099841416383466
Energy: -0.053400971374123765
Energy: 0.4103758962290918
Energy: -0.034536761791139736
Energy: 0.5651467699136622
Energy: -0.03715841974743518
Energy: -0.04407484686569042
Energy: 0.4292104060175859
Energy: 0.24479536857948533
Energy: 0.42685656458456805
Energy: 0.5829098446661497
Energy: 0.08017403200317585
Energy: 0.09712826317520643
Energy: 0.404197616913024
Energy: 0.12951619251514845
Energy: 0.09613477644642507
Energy: 0.5638598121472248
Energy: 0.41389463830368894
Energy: 0.16706529942247217
Energy: 0.14265560611696843
Energy: 0.23650220497222393
Energy: 0.1427360843055632
Energy: 0.5753509975135662
Energy: 0.20216478101902718
Energy: 0.20090649079872772
Energy: 0.17567901337251585
Energy: 0.215662463491215
Energy: 0.20165531350734264
Energy: 0.5536216753979244
Energy: 0.2156347399159211
Energy: 0.21457003000905608
Energy: 0.14865077425502754
Energy: 0.20176349149514328
Energy: 0.20185604220815476
Energy: 0.6344699500111541
Energy: 0.2513014837227228
Energy: 0.2523030906565449
Energy: 0.25770900110809897
Energy: 0.19038879713642068
Energy: 0.23774101766604805
Energy: 0.61881420020425
Energy: 0.33709443759112045
Energy: 0.3497636881234792
Energy: 0.19978500279372194
Energy: 0.22248037390809283
Energy: 0.18343384113184144
Energy: 0.596498692581925
Energy: 0.16879865301470404
Energy: 0.1832314952924962
Energy: 0.18340461667139618
Energy: 0.2735164721606637
Energy: 0.19640108218372823
Energy: 0.550513870540482
Energy: 0.3048278720001966
Energy: 0.21476032827045624
Energy: 0.24764526954352306
Energy: 0.28898626847613745
Energy: 0.21401232221402955
Energy: 0.5713376673334589
Energy: 0.296913464268779
Energy: 0.3074857307720851
Energy: 0.22493363076394451
Energy: 0.29041363837187123
Energy: 0.30508994339010587
Energy: 0.6186347518997216
Energy: 0.2496620825083954
Energy: 0.3081062563599629
Energy: 0.18272682562800513
Energy: 0.22344845928015178
Energy: 0.30463725454309715
Energy: 0.6353626241951933
Energy: 0.27324167323153753
Energy: 0.2655824217708024
Energy: 0.19826761052361458
Energy: 0.25332752600337055
Energy: 0.29671028579155884
Energy: 0.6640141367776375
Energy: 0.2976233992850871
Energy: 0.3081995870201252
Energy: 0.3092464923823631
Energy: 0.3047127093961051
Energy: 0.3077739807814784
Energy: 0.5523072494573714
Energy: 0.3026840324271576
Energy: 0.25042574678277896
Energy: 0.26131446584816703
Energy: 0.3101814168684855
Energy: 0.2140960731247914

minimum gb energy = -0.053400971374123765 eV
minimum distance =  2.39445569759216 Angstroms
sigma value = 43


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

Energy: 0.4702321999182455
Energy: 0.3125474918059992
Energy: 0.20930298298899297
Energy: 0.352925585741665
Energy: 0.15321320052060033
Energy: 0.22063980586030638
Energy: 0.6549587951940945
Energy: 0.175317833814716
Energy: 0.1767651192022424
Energy: 0.17647417039365162
Energy: 0.17171767230720758
Energy: 0.13324201407503683
Energy: 0.6939710137204188
Energy: 0.25077716203500305
Energy: 0.23300671682438284
Energy: 0.049219512930508594
Energy: 0.295321299612914
Energy: 0.24292904901192225
Energy: 0.5974504612261787
Energy: 0.27336745852947086
Energy: 0.2407703667578543
Energy: 0.17272426273946198
Energy: 0.32177148895263014
Energy: 0.22846183296693404
Energy: 0.46883657565904424
Energy: 0.19524327584381057
Energy: 0.1952226194662574
Energy: 0.20790276023534537
Energy: 0.1723288129767161
Energy: 0.19518099188366128
Energy: 0.4578976483225471
Energy: 0.08556932218295907
Energy: 0.20528710630470645
Energy: 0.23189049678471144
Energy: 0.09793594400323985
Energy: 0.2330813086640732
Energy: 0.4799776992936756
Energy: 0.26982067151528516
Energy: 0.2765924732248844
Energy: 0.19504761632626363
Energy: 0.27225525525099115
Energy: 0.1694634811664649
Energy: 0.6220651170288648
Energy: 0.21709956928105018
Energy: 0.18684725791645265
Energy: 0.2393378040007476
Energy: 0.21290648411654878
Energy: 0.1871515599186719
Energy: 0.5009085552964363
Energy: -0.5547332186411732
Energy: 0.24674683051749519
Energy: -0.5306749279363304
Energy: 0.17578738789790696
Energy: 0.24606253712460355
Energy: 0.4825653622653932
Energy: 0.2028492298579398
Energy: 0.20237609925686126
Energy: 0.12450522366770947
Energy: 0.18588606096115146
Energy: 0.1914782748525616
Energy: 0.4536238799586659
Energy: 0.14890885194356757
Energy: 0.14967701710515552
Energy: 0.09523339604786352
Energy: 0.1446001073257662
Energy: 0.20525802875538493
Energy: 0.4867975211407394
Energy: 0.1759359476984943
Energy: 0.2153209132480713
Energy: 0.1966123651072626
Energy: 0.18457033141880794
Energy: 0.19544704976590332
Energy: 0.48740924961081145
Energy: 0.2974956721096881
Energy: 0.17402195292872433
Energy: 0.1968320264152962
Energy: 0.29757044834107266
Energy: 0.17430562596253787
Energy: 0.45929006844871834
Energy: 0.16604308308067822
Energy: 0.26252064129292935
Energy: 0.34955303819157607
Energy: 0.161786385363029
Energy: 0.26310494898817866
Energy: 0.4563026902685687
Energy: 0.11958345766405214
Energy: 0.11433148796373098
Energy: 0.22180378862768552
Energy: 0.29042888581868254
Energy: 0.11874113162857709
Energy: 0.4552533418975477
Energy: 0.291830748156583
Energy: 0.28961697747256854
Energy: 0.11168781498914467
Energy: 0.31722665562890223
Energy: 0.11232228086323025
Energy: 0.5249047847404967
Energy: 0.3469882294884276
Energy: 0.29332937705815176
Energy: 0.14064627625161255
Energy: 0.3470904434856732
Energy: 0.12299138596360616
Energy: 0.45273427483165424
Energy: 0.2890705169019371
Energy: 0.2883401581205798
Energy: 0.316519156959408
Energy: 0.29344944582396565
Energy: 0.13051170277402854
Energy: 0.45515271623754633
Energy: 0.3140744871411595
Energy: 0.33487352558911665
Energy: 0.34717861152142276
Energy: 0.2008028216368007
Energy: 0.33534046240967647
Energy: 0.4533829581501296
Energy: 0.28971041224622884
Energy: 0.2879242062293506
Energy: 0.29297887947397244
Energy: 0.29029030376297393
Energy: 0.1179960777583561
Energy: 0.5164950063331187
Energy: 0.18974920894885225
Energy: 0.28725123347252335
Energy: 0.15396629428749875
Energy: 0.22848943119986836
Energy: 0.15800508569114707
Energy: 0.4691654841490575
Energy: 0.2333875791104798
Energy: 0.16585363982332102
Energy: 0.15526010972581303
Energy: 0.299109504554785
Energy: 0.19922215385593703
Energy: 0.46695053550594184
Energy: 0.1914064980006739
Energy: 0.18214792598924368
Energy: 0.18373943863559855
Energy: 0.22345342790254896
Energy: 0.1712970932781869
Energy: 0.4707452889722254
Energy: 0.19628650390181537
Energy: -0.6358568751009921
Energy: -0.6337405551858869
Energy: 0.09246074792771733
Energy: -0.6273979986300731
Energy: 0.46540984591029383
Energy: 0.3017935440480903
Energy: 0.14936107598851858
Energy: 0.21032809746853454
Energy: 0.2931936770949988
Energy: 0.15114436589648397
Energy: 0.46750923017827767
Energy: 0.18420385605483097
Energy: 0.2055646991399259
Energy: 0.19354088688727025
Energy: 0.18442452413213337
Energy: 0.21043491785063173
Energy: 0.4560044879504183
Energy: 0.1738047382983829
Energy: 0.1697376045828126
Energy: 0.19614618157590738
Energy: 0.20635377074867417
Energy: 0.21761643727112492
Energy: 0.4886408653729597
Energy: 0.16991517360901648
Energy: 0.18388535130041817
Energy: 0.12406709959549593
Energy: 0.18407577162967387
Energy: 0.1839226277550134
Energy: 0.5435095579363552
Energy: -0.5221634129590396
Energy: 0.19419838410803952
Energy: 0.15674867830392464
Energy: 0.20233770657759337
Energy: 0.20196103274532073
Energy: 0.6615993055699938
Energy: 0.23826068852289822
Energy: 0.21175981715007305
Energy: 0.08278334933103508
Energy: 0.22607776523694081
Energy: 0.2178488558567896
Energy: 0.20742980949534068
Energy: 0.24776846682086906
Energy: 0.223240600497958
Energy: 0.19487182870389672
Energy: 0.24587357558959588
Energy: 0.19516050503891672
Energy: 0.4638387115991308
Energy: 0.19035838209429182
Energy: 0.22776814014178273
Energy: 0.24538917169810145
Energy: 0.213687013052602
Energy: 0.2828762758700335
Energy: 0.48291429746692033
Energy: 0.22846105282703336
Energy: 0.23528673280209958
Energy: 0.22084250383262508
Energy: 0.24065942212127603
Energy: 0.07561870685056611
Energy: 0.6478052769470181
Energy: 0.2768578540267447
Energy: 0.25298223650802887
Energy: 0.15718309528215918
Energy: 0.3516304898014544
Energy: 0.27277913108940866
Energy: 0.14419246377591502
Energy: 0.2656425645957998
Energy: 0.2529790083308358
Energy: 0.17190010847044415
Energy: 0.30853686131606983
Energy: 0.27184230159173256
Energy: 0.6790403969054378
Energy: 0.2729529359648626
Energy: 0.2688793672055042
Energy: 0.16433807471604725
Energy: 0.19811432341711543
Energy: 0.16571548040965314

minimum gb energy = -0.6358568751009921 eV
minimum distance =  2.37836924788887 Angstroms
sigma value = 81


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

Energy: -0.024255160297060777
Energy: 0.0029318228809074014
Energy: -0.0235697543951596
Energy: -0.022250216171740046
Energy: -0.019833929870632865
Energy: -0.02356632095948132
Energy: 0.003269487497326907
Energy: -0.023287754369145288
Energy: -0.023324490435328412
Energy: 0.0041725847299793565
Energy: -0.019765339466310924
Energy: -0.02333547233309806
Energy: 0.0024796746095399895
Energy: -0.023486567887123895
Energy: -0.023490670481555533
Energy: 0.0023256798481333897
Energy: -0.023825713485158623
Energy: 0.0025660303605548854
Energy: -0.020747594493526374
Energy: -0.023467498068319603
Energy: -0.02339093239146857
Energy: -0.02017329084172295
Energy: -0.023626476196437395
Energy: 0.002901580254789032
Energy: 0.0024738727169498873
Energy: 0.0022382718207012878
Energy: 0.00406343831431131
Energy: 0.0032621306549406983
Energy: 0.0021418946175427297
Energy: 0.004104792041390688
Energy: -0.02302860619898129
Energy: -0.02319327246720872
Energy: -0.023529238195190323
Energy: -0.021948757080731674
Energy: -0.023158941168658208
Energy: -0.02366060081931694
Energy: 0.0039010562588547653
Energy: -0.02347805906986643
Energy: -0.023379136140267202
Energy: 0.003781352872467778
Energy: -0.018986201122125807
Energy: -0.023099555524083323
Energy: 0.004200224047789217
Energy: -0.023696823949719982
Energy: -0.0235669346225702
Energy: 0.0026291300600110945
Energy: -0.02383578625404369
Energy: 0.0032154481767545976
Energy: -0.022660997684056754
Energy: -0.023482093420791317
Energy: 0.004205859866182495
Energy: -0.02171864387996889
Energy: -0.023676886888966582
Energy: 0.003965931269691397
Energy: -0.02359397262921461
Energy: 0.0024569402212181314
Energy: 0.002403677125537966
Energy: -0.023604407735973554
Energy: 0.002155617701126336
Energy: 0.005340248868502537

minimum gb energy = -0.024255160297060777 eV
minimum distance =  2.51956404668364 Angstroms
sigma value = 3


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

Energy: 0.36779625894866746
Energy: 0.4092845235214102
Energy: 0.3552441596485277
Energy: 0.31170013956234704
Energy: 0.4134073744754023
Energy: -0.4109785733683899
Energy: 0.5170439717631427
Energy: 0.37720483495772617
Energy: 0.37077088945926917
Energy: 0.36279307356052104
Energy: 0.38747540821532733
Energy: 0.36759481650529297
Energy: 0.4190618853502646
Energy: -0.7876245445667652
Energy: -0.7700067464320166
Energy: 0.38527238792173585
Energy: -0.7257600466620862
Energy: 0.3690958021041383
Energy: 0.4981016922581019
Energy: -1.2378302254659732
Energy: -0.7681424118318689
Energy: 0.4431461983682782
Energy: 0.32523126642024003
Energy: 0.3688292054930342
Energy: 0.41467696130501835
Energy: 0.3816656451604187
Energy: 0.3775036352437957
Energy: 0.3452134951218698
Energy: 0.38387475754994527
Energy: 0.36774795319892045
Energy: 0.361578189964671
Energy: 0.37991146686067206
Energy: -0.7484133376254061
Energy: 0.33146959861130554
Energy: 0.3787247534763306
Energy: -1.1741579601798875
Energy: 0.5021308681727368
Energy: 0.3584872188611953
Energy: 0.38346514951038035
Energy: 0.4303804698248356
Energy: 0.42202449783754425
Energy: 0.42010379532546105
Energy: 0.4514064943024279
Energy: -0.41233243600876457
Energy: -0.7910467649281173
Energy: 0.43495759086454894
Energy: 0.32535784786013433
Energy: 0.3570696132130192
Energy: 0.41046551739541315
Energy: 0.35946664675702084
Energy: 0.34261550637595534
Energy: 0.3871171737478208
Energy: 0.36381338063925855
Energy: 0.37964359815859866
Energy: 0.39495239306575625
Energy: 0.3799224408434573
Energy: 0.38153145322619975
Energy: 0.37641842137390147
Energy: 0.3796845938248864
Energy: 0.3746910319827965
Energy: 0.3783022696587528
Energy: 0.366923045128069
Energy: 0.3672104395072039
Energy: 0.3430304392165349
Energy: 0.36684371949785993
Energy: 0.3433355594753826
Energy: 0.435280054745092
Energy: 0.37722685784600396
Energy: 0.3719746662035206
Energy: 0.4361743547419577
Energy: 0.3775818377670432
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Energy: 0.35065620969107003
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Energy: 0.38850201153589825
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Energy: 0.3343540968278128
Energy: 0.3690761301922565
Energy: 0.431815094313237
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Energy: 0.35937585690997426
Energy: 0.4242804859010078
Energy: 0.38454030088785585
Energy: 0.37502332874161515
Energy: 0.39786772941074955
Energy: 0.37962759069636476
Energy: 0.37802873087987376
Energy: 0.39358627233800053
Energy: 0.3776381002154135
Energy: 0.3777162382535634
Energy: 0.37428924774775163
Energy: 0.38141416421983976
Energy: 0.37125870431109476
Energy: 0.34081614031493823
Energy: 0.4273631844355457
Energy: 0.3438444379210415
Energy: 0.4317377054447502
Energy: 0.3816787575226575
Energy: 0.3809644657039206
Energy: 0.4207759406522894
Energy: 0.4339308052204113
Energy: 0.3819553824494865
Energy: 0.39323617217437223
Energy: -0.7229705021805438
Energy: -1.0646348746775192
Energy: 0.3825246944664795
Energy: 0.3714263149009689
Energy: 0.3565741262333782
Energy: 0.41615307562193166
Energy: 0.35817227937471163
Energy: 0.3755534983212361
Energy: 0.38816779010107466
Energy: 0.32191805937470236
Energy: 0.3706618961495642
Energy: 0.4119605248990732
Energy: 0.3934963826246501
Energy: 0.45440968205246457
Energy: 0.4023842537344202
Energy: 0.39358513458275624
Energy: -0.5052038792332738

minimum gb energy = -1.2378302254659732 eV
minimum distance =  2.33994423162282 Angstroms
sigma value = 67


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

Energy: 0.47573652158894875
Energy: -0.8605387193895769
Energy: -1.1621701623517964
Energy: -0.688743083679377
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Energy: -1.158665435077325
Energy: 0.5204570189309158
Energy: 0.5674337207230764
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Energy: -0.8904815612318006
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Energy: -0.8316631393289624
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Energy: -0.7640405340179818
Energy: 0.49089711279330156
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Energy: -1.2101516494036715
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Energy: -0.7679462151549648
Energy: -0.7100547503519589
Energy: -2.125544158250262
Energy: -0.7048848448419736
Energy: -0.8267111256688227
Energy: 0.5593136087203892
Energy: 0.45714903497183584
Energy: -0.5745039418174387
Energy: -1.781333373579621
Energy: 0.45836208037671444
Energy: -1.8584765067359261
Energy: 0.4340842559253693
Energy: -0.6952047696181223
Energy: -0.7828379914361584
Energy: -1.0834874990588537
Energy: -0.6667702270204205
Energy: -1.2457170211649111
Energy: 0.46138020215341863
Energy: 0.45662129164119
Energy: 0.462312065652365
Energy: -2.150716900863053
Energy: 0.45908110331125446
Energy: -2.3223357147231516
Energy: 0.4691405359710905
Energy: 0.44351253484217446
Energy: -0.8856038824504936
Energy: -1.1657303046962322
Energy: 0.42394768891952267
Energy: -1.0312724659053152
Energy: 0.5155540736036841
Energy: -1.5305210927759796
Energy: 0.45136370166962864
Energy: -0.873734448602662
Energy: -1.6754007876052772
Energy: -0.9906750953011715
Energy: 0.5287652863066721
Energy: 0.564779948613471
Energy: -0.7245952765944893
Energy: -0.6763403494348232
Energy: -1.3081476425137115
Energy: -0.6774587295209892

minimum gb energy = -2.4004034078179792 eV
minimum distance =  2.35984607082915 Angstroms
sigma value = 33


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

Energy: 0.3461664194369729
Energy: -0.13878902851630479
Energy: 0.5318899092478747
Energy: -0.6460667832522914
Energy: -0.3641606081969567
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Energy: -2.1318854439473585
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Energy: 0.6615835047820285
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Energy: 0.543203132852358
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Energy: 0.5488914365151073
Energy: 0.5442846769569443
Energy: 0.5558454728567155
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Energy: 0.5426175674152409
Energy: -0.02731674632389017
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Energy: 0.5234993653534337
Energy: 0.5836162211361923
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Energy: 0.55804621124951
Energy: -0.9416834707476786
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Energy: 0.5662489508351781
Energy: 0.7022630739706818
Energy: -0.9420350150497784
Energy: -2.148223684966693
Energy: 0.6486543190467668
Energy: -1.2904658440403847
Energy: -2.112776053784627
Energy: 0.730898807959999
Energy: 0.5507965758095326
Energy: 0.543728107563658
Energy: -0.006591617772302258
Energy: -0.32548901381509343
Energy: 0.5367469529184156
Energy: 0.8149998448504422
Energy: -2.109978335590874
Energy: -0.7988368338773395
Energy: -2.114896664580817
Energy: -1.872259337963292
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Energy: 0.4981065603295968
Energy: -2.1135609447282193
Energy: -0.07579750327155306
Energy: -1.1823087960960963
Energy: -2.1272700345548503
Energy: -1.1663267766859169

minimum gb energy = -2.394567302391357 eV
minimum distance =  2.29689934310648 Angstroms
sigma value = 41


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

Energy: 0.7668682823096173
Energy: 0.713230376798623
Energy: 0.7129355811806835
Energy: 0.7038426171804548
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Energy: 1.044862469215841
Energy: 0.7153274718653504
Energy: 0.7135627181307437
Energy: 0.7986699317819532
Energy: 0.717650842570061
Energy: 0.7131334482776364
Energy: 0.8972791996445814
Energy: 0.7138938879678394
Energy: 0.7117197563407589
Energy: 0.8017169975000927
Energy: 0.7187677012437138
Energy: 0.0605046551060837
Energy: 0.773331299149706
Energy: 0.7339045650031132
Energy: 0.7319846904441264
Energy: 0.06839328361067745
Energy: 0.7117408241824393
Energy: 0.7306264646073772
Energy: 0.7490865319469469
Energy: 0.7129672724786079
Energy: 0.7131127846157957
Energy: 0.6966115382000775
Energy: 0.7134097353647323
Energy: 0.71324845694502
Energy: 0.8494646732086388
Energy: 0.7467870979572474
Energy: 0.7266620475223196
Energy: 0.7642142906491303
Energy: 0.747807246681284
Energy: 0.7452046673566217
Energy: 0.8686026558586635
Energy: 0.7139737281352037
Energy: 0.7140061729871426
Energy: 0.7243147534948393
Energy: 0.7140134215345947
Energy: 0.7174338241128257
Energy: 0.7674779084264529
Energy: 0.7153620311931076
Energy: 0.7126008971808105
Energy: 0.7034186135164444
Energy: 0.7195954566568235
Energy: 0.7117132955685036
Energy: 0.7745368419081706
Energy: 0.7163849406889392
Energy: 0.7134450660795894
Energy: 0.7195674017847588
Energy: 0.7190670848966888
Energy: 0.7115807877694341
Energy: 0.7725730779945357
Energy: 0.731230229899548
Energy: 0.7473717290253149
Energy: 0.7153203868076384
Energy: 0.7075705957086736
Energy: 0.7339909617547503
Energy: 0.991995102498852
Energy: 0.7028656748408939
Energy: 0.7024123069069356
Energy: 0.7254757910889517
Energy: 0.7037137025745824
Energy: 0.7029890431133998
Energy: 0.9919253915815088
Energy: 0.7161500523088631
Energy: 0.06519599425652259
Energy: 0.7173813959213681
Energy: 0.71455561347006
Energy: 0.712623640960859
Energy: 0.725715650618036
Energy: 0.7136664454240007
Energy: 0.7048567775401736
Energy: 0.6881451296883095
Energy: 0.7169294396921071
Energy: 0.7046037427034861

minimum gb energy = 0.05166157736304223 eV
minimum distance =  2.35302092903164 Angstroms
sigma value = 11


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

Energy: 0.917465919445054
Energy: 1.00267789132228
Energy: 0.05421386957516771
Energy: 0.8541037164939407
Energy: 0.27974050916159526
Energy: 0.9427331779987562
Energy: 1.1184297637686607
Energy: -0.9971354844476018
Energy: 0.8298240222524025
Energy: 0.7927876577526667
Energy: -0.14461980841618075
Energy: 0.8611487126562042
Energy: 1.2063216086644304
Energy: 0.8617223905719175
Energy: 0.8607046663008662
Energy: 0.8533633062390996
Energy: 0.8636618388483448
Energy: 0.8598081584811981
Energy: 0.9313634715459529
Energy: 0.8616055122204921
Energy: 0.8449990101432724
Energy: -1.053096220736861
Energy: 0.8639759106822855
Energy: 0.8450828129691477
Energy: 0.9435937092272486
Energy: 0.8678296734353654
Energy: 0.866729250158107
Energy: 0.8538122203966135
Energy: 0.8520641807989006
Energy: 0.8666523982211768
Energy: 0.9334602844342588
Energy: 0.854376265970376
Energy: 0.8544057446821115
Energy: 0.8673840972808307
Energy: 0.8805221123985032
Energy: 0.8544943063769707
Energy: 0.9601250789327366
Energy: 0.8347086719086217
Energy: 0.8351570165785108
Energy: 0.8629757473567118
Energy: 0.8559954728110349
Energy: 0.8587303836490431
Energy: 1.0244135665236314
Energy: 0.8672383601463944
Energy: 0.8674642694390682
Energy: 0.8514582961274187
Energy: 0.8524464988384151
Energy: 0.8674507028108581
Energy: 0.9238759404737603
Energy: 0.8616165734148858
Energy: 0.8599623573149452
Energy: 0.8624706389418567
Energy: 0.8631521853312654
Energy: 0.864727958243209
Energy: 0.9232634036686252
Energy: 0.8454643360661542
Energy: 0.8456275906845303
Energy: 0.8628420167106079
Energy: 0.839311323053719
Energy: 0.864566362518597
Energy: 1.0025108398468467
Energy: -0.3082494779692225
Energy: 0.8609711643017908
Energy: 0.1626423881370907
Energy: 0.8211619235311316
Energy: -1.086263329965746
Energy: 0.946286290578567
Energy: 0.8349701108966595
Energy: 0.834421976143375
Energy: -0.5298598336364397
Energy: 0.8423575287155262
Energy: -0.6145133066644958
Energy: 0.9453667634397785
Energy: 0.7934287857173532
Energy: 0.8415423176479364
Energy: -0.45437273034907394
Energy: 0.8065089025238403
Energy: 0.7954573602851479
Energy: 0.9198525358720107
Energy: 0.8670073919946306
Energy: 0.8671688597466631
Energy: 0.8634649282355692
Energy: 0.8831963142510335
Energy: 0.8709192101923897
Energy: 0.9467778680722411
Energy: 0.8685269892334017
Energy: 0.8670751496289586
Energy: 0.8645252298509176
Energy: 0.8700363501801783
Energy: 0.8661522333680561
Energy: 0.994534953526867
Energy: 0.8695255543296336
Energy: 0.8675566177284247
Energy: 0.8519539934449879
Energy: 0.867241811355579
Energy: 0.86780426854361
Energy: 0.9844106453228846
Energy: 0.8691745455620593
Energy: 0.8677848148929997
Energy: 0.8931474491234941
Energy: 0.8688628383893293
Energy: 0.8679362858673961
Energy: 0.9099013723368212
Energy: 0.8357852766272869
Energy: 0.9142238926133528
Energy: 0.8322740354047932
Energy: -0.051140011177020654
Energy: 0.8703671886233997
Energy: 0.9543658167486767
Energy: 0.8687250614162138
Energy: 0.8688578137473342
Energy: 0.8721154301244424
Energy: 0.8674482486961969
Energy: 0.8682079241798466
Energy: 0.9368220750057
Energy: 0.8607602203606127
Energy: 0.859754590395308
Energy: 0.865507146733593
Energy: 0.8627982859705201
Energy: 0.8406991356915707
Energy: 1.0937397929119395
Energy: 0.8565884925641242
Energy: 0.7965546480421484
Energy: -0.08146669119310358
Energy: 0.8607488443085473
Energy: 0.8429662861576155
Energy: 0.9715745569447407
Energy: 0.8335970057791359
Energy: 0.8386833798347144
Energy: 0.8311739272701351
Energy: 0.7483492446558775
Energy: 0.8083585514061862
Energy: 0.9162621575236759
Energy: 0.8696824695685603
Energy: 0.8489906159712278
Energy: 0.8526834680402956
Energy: 0.8718659815777722
Energy: 0.8480790964519441
Energy: 1.1020828588967693
Energy: 0.8346187309636004
Energy: 0.8684261659469952
Energy: 0.8533926104175882
Energy: -0.6019057185026061
Energy: 0.8690764791745297
Energy: 0.9697504860636456
Energy: 0.844822203351737
Energy: 0.8576276897906446
Energy: -0.7302483378260489
Energy: 0.8437253365350773
Energy: -0.5699841157723411
Energy: 0.9410678959032039
Energy: 0.37448909888742093
Energy: 0.8532467121781194
Energy: 0.8683382985127803
Energy: 0.7880604143697616
Energy: 0.8668650665055022
Energy: 0.9437239163621788
Energy: 0.8690256901377208
Energy: 0.8676544389348765
Energy: 0.8673142366566566
Energy: 0.8691797053819275
Energy: 0.8673114040138219
Energy: 0.940055782009493
Energy: 0.8687659684236325
Energy: 0.8666279611961646
Energy: 0.868225079664034
Energy: 0.8897685420403756
Energy: 0.8662639553544245
Energy: 0.9577353143402118
Energy: 0.8632751322401442
Energy: 0.8624732904616803
Energy: 0.9817876759534951
Energy: 0.8631715526966534
Energy: 0.8617858200214648
Energy: 1.2056945854982506
Energy: 0.8729116663005996
Energy: 0.8654596192015017
Energy: 0.8077340250037286
Energy: 0.8241953528720538
Energy: 0.8661548511231412
Energy: 0.9038060409311479
Energy: 0.8766881282042167
Energy: 0.8353040796948875
Energy: 0.84413738580257
Energy: 0.8743404310733313
Energy: 0.8337204841452152

minimum gb energy = -1.086263329965746 eV
minimum distance =  2.33145742003498 Angstroms
sigma value = 57


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

Energy: 1.6257713358843615
Energy: 0.9935278888164826
Energy: 0.9915211751559587
Energy: 0.9917188162482615
Energy: 0.9903996696340337
Energy: 0.9904536300288068
Energy: 1.0806073673857994
Energy: 0.99081563766773
Energy: 0.9909704999074436
Energy: 0.9900938893267809
Energy: 0.9917617020962753
Energy: 0.9591555991644795
Energy: 1.1186405352205648
Energy: 0.9383438833476959
Energy: 0.938492942677694
Energy: 0.9904787187541685
Energy: 0.9395216814856067
Energy: 0.9913935034705301
Energy: 1.0771582683273213
Energy: 0.9576520936070598
Energy: 0.9575972290173707
Energy: 0.9903632927120938
Energy: 0.9435931657112114
Energy: 0.9590627620041104
Energy: 1.0442004901472453
Energy: 0.9576947750341817
Energy: 0.9547268939941734
Energy: 0.9926251691920466
Energy: 0.9911660576473248
Energy: 0.9542153588091036
Energy: 1.0747125479050983
Energy: 0.9900738360764763
Energy: 0.9574185912845375
Energy: 0.9592663237312068
Energy: 0.9904708503765336
Energy: 0.9562266020586551
Energy: 1.0927378921419562
Energy: 0.9439737679435319
Energy: 0.942613535908777
Energy: 0.9917411449247531
Energy: 0.9462945619671475
Energy: 0.9565100694391758
Energy: 1.2082555733225702
Energy: 0.9601699032206205
Energy: 0.9572209462283076
Energy: 0.9906788920328969
Energy: 0.961850039676792
Energy: 0.9562788835801619
Energy: 1.1021012567223805
Energy: 0.9650623373959555
Energy: 0.9438410068808143
Energy: 0.9454844736321227
Energy: 0.9912388067390345
Energy: 0.9426230526113223
Energy: 1.1020762975366722
Energy: 1.002530302367483
Energy: 0.9437928770295396
Energy: 0.9453521944818437
Energy: 0.9909013281840079
Energy: 0.9426568229013605
Energy: 1.2074165966827817
Energy: 0.9591872726872008
Energy: 0.9572996443108462
Energy: 0.9908188985824306
Energy: 0.9607113159201507
Energy: 0.9577741077154631
Energy: 1.0769579269484653
Energy: 0.9377661160710336
Energy: 0.9376338708778653
Energy: 0.9913285377871018
Energy: 0.9392612499565121
Energy: 0.990681717320889
Energy: 1.077166472845671
Energy: 0.9894273897963329
Energy: 0.9909131550017305
Energy: 0.9912946050617587
Energy: 0.989804270594972
Energy: 0.9556291087475842
Energy: 1.0766226889428046
Energy: 0.9568697256186407
Energy: 0.9550761200593076
Energy: 0.9596039869173999
Energy: 1.0142050944926888
Energy: 0.9549986488267933
Energy: 1.041615851923663
Energy: 0.9462458016249562
Energy: 0.9532276976050476
Energy: 0.9630188419620872
Energy: 0.9429982226896971
Energy: 0.9534043307627652
Energy: 1.2217955238801996
Energy: 0.9474825172767124
Energy: 0.9440520845616315
Energy: 0.9590904144046205
Energy: 0.9494916776845691
Energy: 0.9552794062086806
Energy: 1.0808611728000328
Energy: 0.9899896579178608
Energy: 0.9906313890754856
Energy: 1.0120178048251713
Energy: 0.99153096825826
Energy: 0.991480140486235

minimum gb energy = 0.9376338708778653 eV
minimum distance =  2.31593255060417 Angstroms
sigma value = 9


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

Energy: 1.2210477279675305
Energy: 0.9703662583288204
Energy: 1.0911798068219691
Energy: 1.0466695024342236
Energy: 0.14825574824939405
Energy: 0.9147023490573326
Energy: 1.1931942673419
Energy: 0.9521740812709626
Energy: 0.9554746444829654
Energy: -0.8514766711484075
Energy: 0.9041390729748792
Energy: 0.8792665402709733
Energy: 1.0957559860820933
Energy: 0.12821821709799933
Energy: 0.9551039276224915
Energy: 0.9360362318175067
Energy: 0.13222671965720348
Energy: 0.9340612786023318
Energy: 1.0574107099902676
Energy: 0.9490923142762172
Energy: 0.815202553296804
Energy: 0.8840955650447289
Energy: 0.9491569552434055
Energy: 0.9042201614849966
Energy: 1.0196935124301785
Energy: 0.9409982207620367
Energy: 0.9375824390076574
Energy: 0.7865134827329695
Energy: 0.9307496380292035
Energy: 0.8810055688111645
Energy: 1.0186135394821703
Energy: 0.9487497362028033
Energy: 0.9408215305740496
Energy: 0.8362556093842541
Energy: 0.9284599022457509
Energy: 0.9386419341860334
Energy: 1.056584528599893
Energy: 0.9285142046684832
Energy: 0.9858199318673916
Energy: 0.8433819836920218
Energy: 0.920006835205299
Energy: 0.9866782608425099
Energy: 1.1549024142575939
Energy: 0.896220765332248
Energy: 0.8721942029096339
Energy: 0.9338280695846102
Energy: 0.8968645485295047
Energy: 0.8735212348836507
Energy: 1.119393666882438
Energy: 0.8724099408456134
Energy: 0.8869291687481167
Energy: 0.9546115212391995
Energy: 0.9491152722005318
Energy: 0.906568682660344
Energy: 1.1054222845102823
Energy: 0.8863873973754691
Energy: 0.8718421970551287
Energy: 0.9538171810367351
Energy: 0.8794175852905772
Energy: 0.8728114095081299
Energy: 1.1528681176180915
Energy: 0.9422243558179031
Energy: 0.9749660645729409
Energy: 0.9326156078612328
Energy: 0.9530396337340443
Energy: 0.8858077780003841
Energy: 1.0900682849025987
Energy: 0.8175106693544147
Energy: 0.906815549660071
Energy: 0.9232533768666144
Energy: 0.818460053929738
Energy: 0.9065166554801342
Energy: 1.0483795955816126
Energy: 0.903019006487031
Energy: 0.9038858384034987
Energy: 0.9917772585203791
Energy: 0.8654878291065183
Energy: 0.9192970735560825
Energy: 1.1746780135901402
Energy: 0.9072628891071797
Energy: 0.9241894239658842
Energy: 0.9934353398440712
Energy: 0.9075656724920875
Energy: 0.9823273875412853
Energy: 1.087380810345039
Energy: 0.9277265669015421
Energy: 0.9264834470160495
Energy: 0.9022222581637327
Energy: 0.9283715903813045
Energy: 0.8618831635706786
Energy: 1.0420281565425564
Energy: 0.9090410349499531
Energy: 0.9017089687109033
Energy: 0.8213018584915306
Energy: 0.9318047653852471
Energy: 0.8998900420397562
Energy: 1.027453014227869
Energy: 0.8330493007372969
Energy: 0.8347094554581893
Energy: 0.9094713177974598
Energy: 0.8958962505574396
Energy: 0.861653552366464
Energy: 1.0375493247365277
Energy: 0.9273617521858659
Energy: 0.8818186968416191
Energy: 0.9101433408463907
Energy: 0.9283609555036193
Energy: 0.960620216250823
Energy: 1.0601458862244737
Energy: 0.8785233071583034
Energy: 0.8773195902427847
Energy: 0.9093749318920524
Energy: 0.35161849552732055
Energy: 0.8749598675270224
Energy: 1.0977413803604432
Energy: 0.8795157139939405
Energy: 0.9137010463368573
Energy: 1.0264065041650288
Energy: 0.9154357344814871
Energy: 0.9489327361248702
Energy: 1.1059835917024978
Energy: 0.9650999235176754
Energy: 0.9656390564729669
Energy: 0.8988168524964635
Energy: 0.965454221692246
Energy: 0.8961627726310112

minimum gb energy = -0.8514766711484075 eV
minimum distance =  2.32908401944686 Angstroms
sigma value = 27


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

Energy: 1.8807674776896466
Energy: 0.9639111945590695
Energy: 0.9616590761853202
Energy: 0.9759077812430842
Energy: 0.905547194119306
Energy: 0.9116186490185547
Energy: 1.164154502059529
Energy: 0.9220185060615309
Energy: 0.9538983550364605
Energy: 0.9179345743760877
Energy: 0.9241964114789077
Energy: 0.9533511335058834
Energy: 1.0849931579257162
Energy: 0.9516778944682318
Energy: 0.8887907653476965
Energy: 0.9609631391075527
Energy: 0.9262051437285088
Energy: 0.8973670986102752
Energy: 1.1225330979887762
Energy: 0.9444676302498652
Energy: 0.9514377486814268
Energy: 0.9651597054920379
Energy: 0.9253077980833541
Energy: 0.9526474872365701
Energy: 1.0767483276146341
Energy: 0.9614693069666437
Energy: 0.9583309693577305
Energy: 0.9551897916433295
Energy: 0.9420220590183059
Energy: 0.9535710843075696
Energy: 1.0883314367410464
Energy: 0.9457187409879431
Energy: 0.9136678511612224
Energy: 0.9591212317441394
Energy: 0.945631413100092
Energy: 0.9124334481800563
Energy: 1.0356030737079427
Energy: 0.9718828172876591
Energy: 0.9630402454156265
Energy: 0.9718613239980878
Energy: 0.9710973050850815
Energy: 0.9598690273803299
Energy: 1.1081605276308422
Energy: 1.000531896486168
Energy: 0.9439219922122182
Energy: 0.9471981182326439
Energy: 0.9968755863945865
Energy: 0.9093389601878311
Energy: 1.2969530504143436
Energy: 0.8832157325081116
Energy: 0.8884299628849525
Energy: 0.9716676220716391
Energy: 0.9273293075524397
Energy: 1.0078509129419928
Energy: 1.0831409534537508
Energy: 0.8828883089825039
Energy: 0.8857439198885593
Energy: 0.9345360700862305
Energy: 0.8826369683671169
Energy: 0.9281650632987833
Energy: 1.0870519311998348
Energy: 0.9853683991075793
Energy: 0.9861811575654507
Energy: 0.9635817143355256
Energy: 1.0028040343476359
Energy: 0.9894889589147934
Energy: 1.1715349647322928
Energy: 0.9855369641822127
Energy: 0.9858548275651529
Energy: 0.22375090481829224
Energy: 0.9848514671754202
Energy: 0.9855669719307869
Energy: 1.154450950406206
Energy: 0.9140513781064825
Energy: 0.9248541637649109
Energy: 0.9871258335373558
Energy: 0.8911353891541686
Energy: 0.9142163259952197
Energy: 1.157367972593894
Energy: 0.9981859299195154
Energy: 0.995557985288901
Energy: 0.9890912648257599
Energy: 1.0010031720435169
Energy: 0.9927681802883034
Energy: 1.1789185057090912
Energy: 0.9240696888117781
Energy: 0.9239174800471691
Energy: 0.9692521949477261
Energy: 0.9259908524407787
Energy: 0.8917127699187075
Energy: 1.1048504708758804
Energy: 1.0034398756326905
Energy: 1.0105084960092334
Energy: 0.9793949187443595
Energy: 0.9919197928103519
Energy: 1.0075269023663516
Energy: 1.075852596120939
Energy: 0.9286686664700327
Energy: 0.9334560806806861
Energy: 0.28123456021159243
Energy: 0.9320734731542273
Energy: 0.9617192198828198
Energy: 1.0902332882298884
Energy: 0.914272286398379
Energy: 0.9120790016933613
Energy: 0.934475228645287
Energy: 0.9464292689889434
Energy: 0.9117670425507496
Energy: 1.093726357125606
Energy: 0.9978729643557264
Energy: 0.9980635274813382
Energy: 0.9263222462961013
Energy: 0.9854698990600659
Energy: 1.0007090206318572
Energy: 1.0501222957966154
Energy: 0.9975448612046534
Energy: 0.9982732498343379
Energy: 0.9719345082022154
Energy: 0.985514073224569
Energy: 0.99178556400243
Energy: 0.8969977557436495
Energy: 0.9844226940516408
Energy: 1.0114465541472593
Energy: 0.976092068619731
Energy: 0.9434830494146309
Energy: 0.9689883806388085
Energy: 1.0664193212121378
Energy: 0.9209506699325108
Energy: 0.9218120475441368
Energy: -0.5891396176507513
Energy: 0.9208284731470312
Energy: 0.9646153318621978
Energy: 1.0782604248854282
Energy: 0.963485609194982
Energy: 1.0166294145291046
Energy: 0.9454253354036122
Energy: 1.004633674246271
Energy: 0.9177976467924364
Energy: 1.1965162549376336
Energy: 0.9618474370755841
Energy: 0.9644823712526442
Energy: 0.9547556384309195
Energy: 0.9668741026391842
Energy: 0.9468151873085002
Energy: 1.1788899168553137
Energy: 0.9325176823776815
Energy: 0.2379361673466582
Energy: 0.9997322837163135
Energy: 0.9215691128486881
Energy: 0.21938374327892524

minimum gb energy = -0.5891396176507513 eV
minimum distance =  2.30727116375782 Angstroms
sigma value = 19


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

Energy: 1.148016841243343
Energy: 0.9512441119896201
Energy: 0.8692314769611199
Energy: 0.918897580773829
Energy: 0.598427395720348
Energy: 0.9438550381221871
Energy: 1.1534107182257904
Energy: 0.9012098530841488
Energy: 0.8806287753863202
Energy: 0.8785920535320723
Energy: 0.269608330731618
Energy: 0.8782804976970021
Energy: 1.058768938335749
Energy: 0.8782145533219791
Energy: 0.9017004494938053
Energy: 0.8417618208537326
Energy: 0.9114037951331809
Energy: 0.9007135235445082
Energy: 1.0625783173999173
Energy: 0.877819430392134
Energy: 0.8525711569037944
Energy: 0.8765674844076601
Energy: 0.87546114646456
Energy: 0.9014342822107441
Energy: 1.0563858041497758
Energy: 0.7616168712445257
Energy: 0.8265631793519076
Energy: 0.909258012315941
Energy: -0.321225995799011
Energy: 0.873394659786923
Energy: 1.0638112096293175
Energy: 0.8850359651684918
Energy: 0.8861034916914642
Energy: 0.8301011511944556
Energy: 0.8542190613399415
Energy: 0.8722039104064455
Energy: 1.0441873940618729
Energy: 0.9106624723399206
Energy: 0.9162285651359442
Energy: 0.8141854210477728
Energy: 0.9106608746557086
Energy: 0.9049441904319147
Energy: 1.0430162927398217
Energy: 0.9053754914186047
Energy: 0.9020706812512004
Energy: 0.7773420132580602
Energy: 0.8865858246488709
Energy: 0.8786597368286453
Energy: 1.0659193563861609
Energy: 0.3533905100249435
Energy: 0.21725325691090008
Energy: 0.5986266267791729
Energy: 0.9093432622073341
Energy: 0.3602660086464239
Energy: 1.0530562479314005
Energy: 0.8627036826452433
Energy: 0.859263145343197
Energy: 0.887782995363685
Energy: 0.861499781500639
Energy: 0.9055241885632201
Energy: 1.0331261088183297
Energy: 0.8936540301667248
Energy: 0.8929850227517718
Energy: 0.8593675842933247
Energy: 0.8820698049257326
Energy: 0.8938695106855188
Energy: 1.097250005253423
Energy: 0.9041986023438116
Energy: 0.9038876311640033
Energy: 0.8283344334419143
Energy: 0.9055944161323771
Energy: 0.9032319550852166
Energy: 1.0743813669776698
Energy: 0.9029522646290269
Energy: 0.8812589408923581
Energy: 0.8870130147461769
Energy: 0.8290059229944884
Energy: 0.8806864303467926
Energy: 1.1150093905604221
Energy: 0.6021379592374111
Energy: 0.8381717760609309
Energy: 0.9500386512369571
Energy: 0.7280412076168388
Energy: 0.8640014723547496
Energy: 1.0343530987576415
Energy: 0.2709327175367893
Energy: 0.39037337870302025
Energy: 0.8556973340896874
Energy: -0.1572290640162496
Energy: 0.8591430023665654
Energy: 1.0955321449696258
Energy: 0.9283264483707925
Energy: 0.9006933461696116
Energy: 0.8811635714910065
Energy: 0.8534810562089625
Energy: 0.9006551663153611
Energy: 1.0686047904928266
Energy: 0.9034309397498199
Energy: 0.909819800528923
Energy: 0.8526387534981883
Energy: 0.8830985763805446
Energy: 0.9095397567418304
Energy: 1.0926665187185471
Energy: 0.862334611961331
Energy: 0.852171944678057
Energy: 0.9552832551624759
Energy: 0.7859877718154983
Energy: 0.8909551229841731
Energy: 1.0723609472610374
Energy: 0.8871590238965614
Energy: 0.8870904180280289
Energy: 0.3330136546828042
Energy: 0.9185170065639248
Energy: 0.8801060539220209
Energy: 1.0786353038400884
Energy: 0.9046629049406073
Energy: 0.8884550410084088
Energy: 0.7835526605460951
Energy: 0.9208541591960258
Energy: 0.8824958842703071
Energy: 1.054132544707023
Energy: 0.8870993868550336
Energy: 0.8887950430722674
Energy: 0.954751109709199
Energy: 0.8710439310881737
Energy: 0.7426691231872375
Energy: 1.0526244491928973
Energy: 0.900305923372392
Energy: 0.9359541472886977
Energy: 0.9484789741224002
Energy: 0.8411392715656173
Energy: 0.9342481675034348
Energy: 1.0033981628701125
Energy: 0.8727367101501584
Energy: 0.8728667210302702
Energy: 0.7636350066540927
Energy: 0.9288962568546396
Energy: 0.8814004877256968
Energy: 1.0436605789844047
Energy: 0.9103961487047071
Energy: 0.8161121766313456
Energy: 0.7708644142666418
Energy: 0.9405967107062827
Energy: 0.8927401553930855
Energy: 1.0893414418387715
Energy: 0.8361552482382723
Energy: 0.8851636401506731
Energy: 0.9060862078526741
Energy: 0.7895673828426356
Energy: 0.8885426567911632
Energy: 1.070192480730285
Energy: 0.8851201334164884
Energy: 0.8838250696219652
Energy: 0.8707941544427242
Energy: 0.8356143416477904
Energy: 0.8825281739168362
Energy: 1.0557134566789983
Energy: 0.9087794460894902
Energy: 0.9063837658237905
Energy: 0.8641269067469127
Energy: 0.8859571203746595
Energy: 0.9048713841305062
Energy: 1.0639075504070452
Energy: 0.9368902591565555
Energy: 0.9026107106331566
Energy: 0.8986276347893276
Energy: 0.9469250789058723
Energy: 0.8824877801418791
Energy: 1.0795617315002597
Energy: 0.5684318448279427
Energy: 0.32260328551749917
Energy: 0.9388339857873039
Energy: 0.7931965614908383
Energy: 0.7623337347620809

minimum gb energy = -0.321225995799011 eV
minimum distance =  2.3757642523818 Angstroms
sigma value = 101


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

Energy: 1.6376637340833147
Energy: 0.8568376891134161
Energy: 0.8617986371857571
Energy: 0.8980206217615538
Energy: 0.9314775062506935
Energy: 0.8869470107092127
Energy: 1.0561946313717407
Energy: 0.8698457611909766
Energy: 0.8740640862690826
Energy: 0.8779376847712074
Energy: -0.09565032165527868
Energy: 0.8745168045966065
Energy: 1.0155548053559096
Energy: 0.8784748300719608
Energy: 0.8711060492255511
Energy: 0.8688944053350212
Energy: 0.876471567115736
Energy: 0.8690873179429139
Energy: 1.0085203952861435
Energy: 0.8765138326927479
Energy: 0.8751616666382893
Energy: 0.8733899718332642
Energy: 0.8772374500358733
Energy: 0.8688426564792616
Energy: 1.0283355705452395
Energy: 0.8854187931341637
Energy: 0.871728622260776
Energy: 0.8789760869175531
Energy: 0.8706939437144957
Energy: 0.857275351275133
Energy: 1.0385017220207349
Energy: 0.8704711465473157
Energy: 0.8699576262231149
Energy: 0.31190289617862693
Energy: 0.872789460698233
Energy: 0.8691660841804424
Energy: 1.0338609989980967
Energy: 0.8762892817241749
Energy: 0.8713574885897084
Energy: 0.8609273834090448
Energy: 0.8884781559482642
Energy: 0.8687980735674468
Energy: 0.9900630445592775
Energy: 0.8769292273105828
Energy: 0.8751471168460161
Energy: -0.1829539062949089
Energy: 0.8884190316569327
Energy: 0.8740242487553003
Energy: 1.0230366764366843
Energy: 0.886968832526642
Energy: 0.32214515999902726
Energy: 0.3677007102647615
Energy: 0.869281120126628
Energy: 0.3224788586914643
Energy: 1.0242969483747297
Energy: 0.866223825206189
Energy: 0.8649220070516501
Energy: 0.8911039380680299
Energy: 0.8684466265476241
Energy: 0.8648534348944336
Energy: 1.0441774731029356
Energy: 0.8752265705929447
Energy: 0.8724765041908741
Energy: 0.8719840157825901
Energy: 0.8809786000430339
Energy: 0.8715992617872289
Energy: 1.012530150640131
Energy: 0.877531129828052
Energy: 0.874926390816708
Energy: 0.8852522045222941
Energy: 0.8878548439950478
Energy: 0.874488890326326
Energy: 1.0343860987338025
Energy: 0.891290077955972
Energy: 0.893311967521171
Energy: 0.888224242897301
Energy: 0.8905906396778368
Energy: 0.8931588685422486
Energy: 1.0304824850671024
Energy: 0.7747427292260255
Energy: 0.8716017272549218
Energy: 0.8889787463595975
Energy: -0.12800015138588708
Energy: 0.8748252033594112
Energy: 1.005126988784036
Energy: 0.19664610946955874
Energy: 0.8889196765540274
Energy: 0.8736232476265499
Energy: -0.04734870583514046
Energy: 0.8891051036878553
Energy: 1.0157188806091604
Energy: 0.8875942369191233
Energy: 0.8873580293897924
Energy: 0.8739046632632689
Energy: 0.8917662339134627
Energy: 0.8691389196475744
Energy: 1.0316175468725963
Energy: 0.8476500150681551
Energy: 0.8704236223211728
Energy: 0.9050661281146916
Energy: 0.8499299956105978
Energy: 0.8781327621716185
Energy: 1.055208835645309
Energy: 0.10596973736674253
Energy: 0.8863454233513244
Energy: 0.8714158926165883
Energy: 0.1312148189599921
Energy: 0.8634138930537469
Energy: 1.0166424596958465
Energy: 0.8778682435889534
Energy: 0.8755309153117368
Energy: 0.9058851003885489
Energy: 0.8781168530071577
Energy: 0.870020868057386
Energy: 1.0007638552977192
Energy: 0.8768176864282977
Energy: 0.8749075778069144
Energy: 0.8689574967699798
Energy: 0.8781726725411425
Energy: 0.8744923001446763
Energy: 1.0282084387599446
Energy: 0.8685449979482371
Energy: 0.8690838868084777
Energy: 0.8720556042602201
Energy: 0.8683125466854259
Energy: 0.8638980503049805
Energy: 1.034948318445299
Energy: 0.8853963586678081
Energy: 0.8690803464202295
Energy: 0.8905600094955505
Energy: 0.8846761054199256
Energy: 0.8747987051362293
Energy: 1.018219084979781
Energy: 0.28827308795519563
Energy: 0.28830329618884143
Energy: 0.10024706033265199
Energy: 0.8981641985858724
Energy: 0.7930806752705526
Energy: 1.012968601245879
Energy: 0.8748357041358786
Energy: 0.8747754403156747
Energy: 0.10621590365569494
Energy: 0.8873393414171021
Energy: -0.17432620920686828
Energy: 1.022018306202505
Energy: 0.8919604115122552
Energy: 0.889417096194631
Energy: 0.8914986337009064
Energy: 0.86889944686401
Energy: 0.8884016960204162
Energy: 1.022095612223618
Energy: 0.8738112486119729
Energy: 0.8907477975573493
Energy: 0.8933565048963472
Energy: 0.8849261208696235
Energy: 0.8898909043972243
Energy: 1.043413788778204
Energy: 0.8833777880663187
Energy: 0.8816512895625879
Energy: 0.8677523052667314
Energy: 0.9030712951309483
Energy: 0.8837421794556886
Energy: 1.0068555715761605
Energy: 0.8832397748953531
Energy: 0.8817734511871833
Energy: 0.8761500377550232
Energy: 0.9045935008411323
Energy: 0.8741714619762146
Energy: 1.0356456677003993
Energy: 0.7796484879570672
Energy: 0.24612906697020545
Energy: 0.8885540343577153
Energy: 0.7908187588235889
Energy: -0.024675106392381154
Energy: 1.035907813894894
Energy: -0.024510367386894077
Energy: -0.12711368831868586
Energy: 0.8884092602342323
Energy: 0.2809670983493364
Energy: -0.12761226910210938
Energy: 1.0083017844845557
Energy: 0.8883640231994255
Energy: 0.8897351409073699
Energy: 0.8732890171553163
Energy: 0.888643973650831
Energy: 0.890668305366859
Energy: 1.0165802385219869
Energy: 0.8874091489003216
Energy: 0.8880578820178294
Energy: 0.8686007347147017
Energy: 0.8904620353129213
Energy: 0.8886680568856926
Energy: 1.0319233916496842
Energy: -0.0642991481106434
Energy: 0.5481084193132569
Energy: 0.9055978384431419
Energy: -0.05980613976407792
Energy: 0.5539353241353697

minimum gb energy = -0.1829539062949089 eV
minimum distance =  2.39062281342542 Angstroms
sigma value = 33


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

Energy: 0.01864129360995987
Energy: 0.019688313443593248
Energy: 0.02836072058072493
Energy: 0.020146593826474584
Energy: 1.0481345202066312
Energy: 0.024931834181894347
Energy: 0.019502432184785604
Energy: 0.11372883819648182
Energy: 0.11321000167958005
Energy: 0.11431711872472637
Energy: 0.11565666601246537
Energy: 0.11338238882033749
Energy: 1.3729612526989161
Energy: 1.0422785490986868
Energy: 1.041838545023981
Energy: 1.0462632427667886
Energy: 1.0444113212650332
Energy: 1.0425001668046687
Energy: 0.438441212252061
Energy: 0.11372883819692796
Energy: 0.11321000168042272
Energy: 0.11431711872472637
Energy: 0.11565666601201925
Energy: 0.11338238881944523

minimum gb energy = 0.01864129360995987 eV
minimum distance =  2.50641913186889 Angstroms
sigma value = 1