Model name: model_name=MEAM_LAMMPS_LeeBaskesKim_2001_Fe__MO_196726067688_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=3.567322969436645
cohesive_energy=4.225801906680588
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=[0.0, 3.1107861525744e-19, 3.7156078319094e-19, 4.17195580257162e-19, 4.55479590926592e-19, 4.8827134009467e-19, 5.16706770994902e-19, 5.4154371317517e-19, 5.63323702337766e-19, 5.8244728264119e-19, 5.9922207199917e-19, 6.138932034367079e-19, 6.2665934685642e-19, 6.376839242749739e-19, 6.471047228828939e-19, 6.550387015744619e-19, 6.61588399654254e-19, 6.668387324838719e-19, 6.70866604541748e-19, 6.737425115997779e-19, 6.7552573419342e-19, 6.7627074632823e-19, 6.762723485048639e-19, 6.769949301667979e-19, 6.75839760813684e-19, 6.725937509532e-19, 6.6767667086345385e-19, 6.610212291258179e-19, 6.523101947667599e-19, 6.41162249747388e-19, 6.27111160667208e-19, 6.09594563527686e-19, 5.879203180229339e-19, 5.61237668360298e-19, 5.284939844912399e-19, 4.8836747069271e-19, 4.39203078501786e-19, 3.78887536938222e-19, 3.04714769667192e-19, 2.1316799897706597e-19, 9.96319948559436e-20, -4.2045600970735195e-20, -2.2017271522091395e-19, -4.46191772979294e-19, -7.361280653744699e-19, -1.1129696227510739e-18, -1.6105079524967998e-18, -2.27999348078004e-18, -3.20180580715194e-18, -4.50773998152534e-18, -6.42517691179752e-18, -9.373085787759479e-18, -1.419188836277592e-17, -2.2771896716705398e-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: 0.016737378339969973
Energy: -0.36283165215568935
Energy: -0.35978740084627353
Energy: 0.0174974525648372
Energy: 0.6639245870625002
Energy: 0.05480904428684754
Energy: -0.3628316521626313
Energy: 0.1287198491475478
Energy: 0.12972576154757132
Energy: 0.12867576097097203
Energy: 0.12926314813081607
Energy: 0.12959894443280442
Energy: -0.35978740084659555
Energy: 0.1299638813998133
Energy: 0.1292819340768887
Energy: -0.35207575988341006
Energy: 0.13028154334063136
Energy: 0.12882549554910058
Energy: 0.01749745272188875
Energy: 0.1286758302774731
Energy: -0.35207575988280176
Energy: 0.03273930622414051
Energy: 0.1285330189394751
Energy: -0.4177171549098452
Energy: 0.6639250572402688
Energy: 0.13064594821653008
Energy: 0.13061062694162934
Energy: 0.12829184485178066
Energy: 0.13112509459388777
Energy: 0.12880730484188543
Energy: 0.05480904428713381
Energy: 0.12958656912009187
Energy: 0.1288375883137687
Energy: -0.4177171493249075
Energy: 0.129257953457384
Energy: -0.40918167495122687

minimum gb energy = -0.4177171549098452 eV
minimum distance =  2.49442112852728 Angstroms
sigma value = 1


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

Energy: 1.5434357419248212
Energy: 1.7946896319438104
Energy: 0.6141625492391125
Energy: 0.42571942758045533
Energy: 1.3556578820952578
Energy: 0.4797061381398433
Energy: 1.3490049908337838
Energy: 0.4502882643327249
Energy: 0.46139790001774256
Energy: 0.5141726347992753
Energy: 0.8468239010670717
Energy: 0.4566608356860852
Energy: 1.4640526864659245
Energy: 0.529081157463512
Energy: 0.4340682265246287
Energy: 0.44435023693774295
Energy: 0.6697023759235289
Energy: 0.45501980502269257
Energy: 1.5528591618463004
Energy: 0.5143049103172875
Energy: 0.451512320179579
Energy: 0.44116673330584416
Energy: 0.6036963474786877
Energy: 0.44174942534578887
Energy: 1.4031809727208464
Energy: 0.4450386333183453
Energy: 0.4562431444715869
Energy: 0.4095011823390952
Energy: 0.520965196821874
Energy: 0.4730723739626285
Energy: 1.3547183080398044
Energy: 0.5282254767874079
Energy: 0.5032919160479816
Energy: 0.4909518520561287
Energy: 0.5382954330215526
Energy: 0.5268435109394651
Energy: 1.384414345726797
Energy: 0.5268884601214749
Energy: 0.5141770127669023
Energy: 0.49063004137282507
Energy: 0.4948734862880893
Energy: 0.5127165054864757
Energy: 1.2987359801852243
Energy: 0.48452464389426786
Energy: 0.4771708186253058
Energy: 0.4803206835909664
Energy: 0.4813253095142928
Energy: 0.5194308638598761
Energy: 1.0365320139830128
Energy: 0.49272530021157906
Energy: 0.5007796775251682
Energy: 0.5619162417053529
Energy: 0.5015265712472817
Energy: 0.4960683444536344
Energy: 1.0435719937275907
Energy: 0.4368999891325213
Energy: 0.43403050774006724
Energy: 0.5381228830110296
Energy: 0.42364819274070237
Energy: 0.4419879793455634
Energy: 1.2399716385439985
Energy: 0.39084450193104237
Energy: 0.4099994224832937
Energy: 0.4536433832960531
Energy: 0.39512747347205923
Energy: 0.509945503520759
Energy: 0.8415852330210309
Energy: 0.4533804905047813
Energy: 0.46455343720565867
Energy: 0.727819285810983
Energy: 0.4839579844058873
Energy: 0.4605686232124711
Energy: 0.9282775544383262
Energy: 0.4389454913007818
Energy: 0.4464740567003921
Energy: 0.8900040910675772
Energy: 0.3953793049294769
Energy: 0.4526496975841069
Energy: 0.9019049682187643
Energy: 0.40111874010901744
Energy: 0.40682174039580715
Energy: 0.47940437449139395
Energy: 0.39645444373245586
Energy: 0.3940071711198833
Energy: 0.9767784643461623
Energy: 0.4570828899335071
Energy: 0.4532393474714088
Energy: 0.59616996994751
Energy: 0.45160891374997547
Energy: 0.45614991169416313
Energy: 0.8692997886320399
Energy: 0.5293265259221283
Energy: 0.5223273238167783
Energy: 0.6324391986097937
Energy: 0.5803715815073939
Energy: 0.5128963246738646
Energy: 1.189055238980629
Energy: 0.4459130155169012
Energy: 0.45025090523511674
Energy: 0.47834405662728435
Energy: 0.44077160851749225
Energy: 0.48433439886459706
Energy: 1.1921109826397815
Energy: 0.4976494896817316
Energy: 0.49227650926762484
Energy: 0.4984293603983116
Energy: 0.4898894927153221
Energy: 0.5025805941067198
Energy: 1.154071929274535
Energy: 0.5075585396087049
Energy: 0.5130471263763868
Energy: 0.5071928230458133
Energy: 0.5083635521958533
Energy: 0.5022244641034913
Energy: 1.4117865920304276
Energy: 0.4945460119486311
Energy: 0.5016231582436461
Energy: 0.49236108235385184
Energy: 0.4934668267173756
Energy: 0.5026495387118612
Energy: 1.4548013799406914
Energy: 0.47645631555318485
Energy: 0.4413271440522565
Energy: 0.4582768233350597
Energy: 0.4771639166060572
Energy: 0.4270374871901191
Energy: 1.3247263064112111
Energy: 0.6776591191570159
Energy: 0.5199067638504533
Energy: 0.47912115321545523
Energy: 0.6861024103841221
Energy: 0.5064986874950043
Energy: 1.446122231891499
Energy: 0.4491063447714708
Energy: 0.4468651900998387
Energy: 0.4153360224619819
Energy: 0.461554609258885
Energy: 0.45254702761019194

minimum gb energy = 0.39084450193104237 eV
minimum distance =  2.36470471448625 Angstroms
sigma value = 33


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

Energy: 1.949161119191947
Energy: 1.2736496953407086
Energy: 1.213618914186169
Energy: 0.624943683105272
Energy: 0.33966446142761075
Energy: 0.9252471214033373
Energy: 1.4746345217526213
Energy: 0.7387250063482879
Energy: 0.5304651368955403
Energy: 0.564068133471151
Energy: 0.6467191416058937
Energy: 0.5685221582813947
Energy: 1.3523602309214828
Energy: 0.6497683682344341
Energy: 0.5821800160648265
Energy: 0.5723628962449427
Energy: 0.8160218278027237
Energy: 0.6021994919784014
Energy: 1.4038122622279516
Energy: 0.6888548241655557
Energy: 0.2905717382565798
Energy: 0.5477107282044716
Energy: 0.770782956566488
Energy: 0.6198853041409882
Energy: 1.5137405914628341
Energy: 0.5865023004570066
Energy: 0.6005174648568764
Energy: 0.5823315717297516
Energy: 0.7569996411237991
Energy: 0.5823978163704842
Energy: 1.4869093164590421
Energy: 0.698969617104787
Energy: 0.7034790637783861
Energy: 0.33051040599530124
Energy: 0.8086696760412705
Energy: 0.7258004594978164
Energy: 1.4933459007455028
Energy: 0.7183771659383554
Energy: 0.7079619299412743
Energy: 0.697450551105267
Energy: 0.7375957134410024
Energy: 0.7165446735174267
Energy: 1.3497675335500243
Energy: 0.5976399923024295
Energy: 0.6095955302562033
Energy: 0.1744927410474298
Energy: 0.5937939366233114
Energy: 0.603624197817408
Energy: 1.129407663938663
Energy: 0.6027732171455593
Energy: 0.688517815019866
Energy: 0.7698954268431513
Energy: 0.6050871879257135
Energy: 0.6991136289058284
Energy: 1.1172356790032247
Energy: 0.25697606794460665
Energy: 0.6723488137242479
Energy: 0.7747956558198833
Energy: 0.6613890636157105
Energy: 0.6682036269853945
Energy: 0.6996130392531431
Energy: 0.5502561139332015
Energy: 0.5605436790561671
Energy: 1.0881145564634962
Energy: 0.5303976558097625
Energy: 0.5750996637754642
Energy: 0.9289148495633096
Energy: 0.5543676975408167
Energy: 0.6796640754098259
Energy: 0.7568342736670607
Energy: 0.5528494395342346
Energy: 0.7089919007154626
Energy: 0.9767065219764767
Energy: 0.6863204836950743
Energy: 0.671552948459
Energy: 0.8797499191860515
Energy: 0.6805243945783106
Energy: 0.6717413409836385
Energy: 0.867339427917672
Energy: 0.5616589741011466
Energy: 0.6023420801157514
Energy: 0.5297073079018317
Energy: 0.551706868903317
Energy: 0.5896056921062203
Energy: 1.1110220445771826
Energy: 0.6640723109144336
Energy: 0.6704525962376351
Energy: 0.839140153607695
Energy: 0.6626690684620804
Energy: 0.6700649505104437
Energy: 1.1042211093244976
Energy: 0.7164199975521618
Energy: 0.7020579747010878
Energy: 0.83844308211426
Energy: 0.7036372635603668
Energy: 0.7026078231731165
Energy: 1.3583855844602035
Energy: 0.6881115387400826
Energy: 0.2692425604309409
Energy: 0.6638079406570853
Energy: 0.3063434374697273
Energy: 0.678835907870479
Energy: 1.2290921658246408
Energy: 0.6948532965471268
Energy: 0.6936505961835311
Energy: 0.5965975890384864
Energy: 0.7188934585624922
Energy: 0.6068703770880169
Energy: 1.2413697717596064
Energy: 0.7451248223156
Energy: 0.7001723584443592
Energy: 0.6013060089056652
Energy: 0.8002152856708878
Energy: 0.6878525482341215
Energy: 1.4934858596704066
Energy: 0.727317870714984
Energy: 0.6561012077150041
Energy: 0.25744870199708775
Energy: 0.7004650684555558
Energy: 0.655951590444402
Energy: 1.6100047630864973
Energy: 0.7271377741266326
Energy: 0.614895369208914
Energy: 0.5412874921915874
Energy: 0.8134189162768624
Energy: 0.6111851393848562
Energy: 1.427350577101183
Energy: 0.7975467987552614
Energy: 0.7264217005032954
Energy: 0.5505263479154929
Energy: 0.823649496954076
Energy: 0.7037190531121551
Energy: 1.492260575778119
Energy: 0.7640397163081807
Energy: 0.6546309519415913
Energy: 0.6776505480599909
Energy: 0.8769409278306363
Energy: 0.6697618649435632
Energy: 1.4132766930235998
Energy: 0.5377644437172077
Energy: 0.5594993533638238
Energy: 0.5785507672813606
Energy: 0.9095060563753304
Energy: 0.5843654521076997
Energy: 1.4884607832162162
Energy: 0.7995774484184424
Energy: 0.676873963241071
Energy: 0.6451761742896143
Energy: 0.8017842020556941
Energy: 0.6680497992511376
Energy: 1.498952381848042
Energy: 0.8305406635173357
Energy: 0.7156098127634649
Energy: 0.691750158485481
Energy: 0.8310004116646397
Energy: 0.6964175928398713
Energy: 1.4750733226316852
Energy: 0.6963397624965537
Energy: 0.7023881642173694
Energy: 0.6919514351043378
Energy: 0.2743087404824631
Energy: 0.2790322727857432
Energy: 1.3808353030859382
Energy: 0.6076576652493485
Energy: 0.6039829700299014
Energy: 0.7207862197011847
Energy: 0.6002747636191006
Energy: 0.6923557122533754
Energy: 1.1109956708902746
Energy: 0.6053009843284017
Energy: 0.5991231935764233
Energy: 0.7593794380639548
Energy: 0.6064053926207965
Energy: 0.7120452699135831
Energy: 1.1018967681541283
Energy: 0.6714598452467126
Energy: 0.6678385587368708
Energy: 0.7060643146539515
Energy: 0.678782298538736
Energy: 0.28988542061866857
Energy: 0.8178696647215334
Energy: 0.5615405487469851
Energy: 0.576623679325477
Energy: 0.6945746903630889
Energy: 0.5526003029430783
Energy: 0.6054191536113307
Energy: 0.9591925949238993
Energy: 0.5553799826161739
Energy: 0.5663012321814981
Energy: 0.8331595604375424
Energy: 0.56341001260509
Energy: 0.7269677044589254
Energy: 0.9300504655243746
Energy: 0.6701083393807751
Energy: 0.6758763682029385
Energy: 0.902908330887019
Energy: 0.7033191949402772
Energy: 0.7104289947246002
Energy: 0.5381884845687285
Energy: 0.5825314528776367
Energy: 0.9359974341460512
Energy: 0.496629029343133
Energy: 0.5564259307828263
Energy: 0.8664458700958507
Energy: 1.0592626311930249
Energy: 0.6758996552495533
Energy: 0.6770192500992435
Energy: 0.81577839930542
Energy: 0.6634130168320329
Energy: 0.6849474867744355
Energy: 1.1086545654663769
Energy: 0.5748223505620886
Energy: 0.604896662819615
Energy: 0.7155988288532557
Energy: 0.7152284487580419
Energy: 0.7420253773306271
Energy: 1.4427852885622285
Energy: 0.2348787732078618
Energy: 0.6155635222624634
Energy: 0.2347078326189482
Energy: 0.2087379031221246
Energy: 0.27236439814120095
Energy: 1.2370348992699103
Energy: 0.716404080017538
Energy: 0.6121824703311546
Energy: 0.6024942579036668
Energy: 0.6096948014413864
Energy: 0.7353272515741822
Energy: 1.230003896496224
Energy: 0.2090628531306125
Energy: 0.6136828177593499
Energy: 0.5968788111757045
Energy: 0.664357951583267
Energy: 0.6072637356782905
Energy: 1.5530331045942225
Energy: 0.6569700893954347
Energy: 0.5792787582231671
Energy: 0.5631394428531097
Energy: 0.6504633955677551
Energy: 0.5721068562014996
Energy: 1.6132245129532958
Energy: 0.6210658138381998
Energy: 0.6266252396375717
Energy: 0.5715148023760331
Energy: 0.5628761696173515
Energy: 0.5881736546226902

minimum gb energy = 0.1744927410474298 eV
minimum distance =  2.25105302179509 Angstroms
sigma value = 51


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

Energy: 1.6615574398032256
Energy: 0.44943581019061585
Energy: 0.5631802827752002
Energy: 0.44882716092348435
Energy: 0.6761445646591208
Energy: 0.6505161649047756
Energy: 1.3300422206672757
Energy: 0.6785182560047617
Energy: 0.6016725891536762
Energy: 0.33979288983705636
Energy: 0.9092853767221103
Energy: 0.3372645649998776
Energy: 1.3959974165322726
Energy: 0.3169339080965103
Energy: 0.3387121507248501
Energy: 0.36699038616675456
Energy: 0.8850665566583789
Energy: 0.3421235700185248
Energy: 1.4013269006404858
Energy: 0.4345082244608131
Energy: 0.4235864900820315
Energy: 0.6023797222798344
Energy: 0.4447568282237242
Energy: 0.6144282817399359
Energy: 1.3587283097433163
Energy: 0.3360774712325639
Energy: 0.6211038640405909
Energy: 0.3479024129172669
Energy: 0.693111305755785
Energy: 0.33358161170818024
Energy: 1.1857719368746797
Energy: 0.6835321938305474
Energy: 0.377853719626248
Energy: 0.4009518795404351
Energy: 0.7005266917526748
Energy: 0.3719933908085665
Energy: 1.1850692534233207
Energy: 0.32981020577684605
Energy: 0.323404107047212
Energy: 0.39584464575133294
Energy: 0.34651512929656797
Energy: 0.33355529815790763
Energy: 1.220018003493735
Energy: 0.6479048073009013
Energy: 0.6454193728083893
Energy: 0.47889667572449246
Energy: 0.3846874803258358
Energy: 0.6581250520074484
Energy: 0.9034871832174433
Energy: 0.6514351073819962
Energy: 0.6779797484466091
Energy: 0.8347747296957849
Energy: 0.4004271190960688
Energy: 0.34613875232479696
Energy: 0.9146030731560814
Energy: 0.3035249835663144
Energy: 0.328128673569011
Energy: 0.8699249497195515
Energy: 0.3220618824363304
Energy: 0.6037037374302299
Energy: 0.900026108074871
Energy: 0.5379883295772246
Energy: 0.545214738612542
Energy: 0.8870436659830976
Energy: 0.50799301203387
Energy: 0.553220175560449
Energy: 1.0638475239606582
Energy: 0.3234315954213957
Energy: 0.5752260297791574
Energy: 0.779794098858798
Energy: 0.5296924878580077
Energy: 0.5750213914536743
Energy: 0.9853011287194439
Energy: 0.6908739135192519
Energy: 0.7093636547951674
Energy: 0.7676539802779656
Energy: 0.4191034067906316
Energy: 0.3885127706363079
Energy: 1.0434148506393284
Energy: 0.4177029573107993
Energy: 0.6773092855044605
Energy: 0.6683267882563816
Energy: 0.42226954992374255
Energy: 0.6940737097612388
Energy: 1.3167030854491086
Energy: 0.6870813470868707
Energy: 0.3993538245724927
Energy: 0.6591946578149686
Energy: 0.6777230129118631
Energy: 0.6783338136328231
Energy: 1.2730864802380035
Energy: 0.7097120160330943
Energy: 0.41926053217596304
Energy: 0.6406195114631865
Energy: 0.6744665969034263
Energy: 0.6708688863036778
Energy: 1.4659581585276622
Energy: 0.32527640597295976
Energy: 0.35171742580302906
Energy: 0.3131306070466294
Energy: 0.7744012018047687
Energy: 0.3310584922998966
Energy: 1.5083348824750071
Energy: 0.5765708019221591
Energy: 0.4714009060434903
Energy: 0.5593489733172776
Energy: 0.6370354466248196
Energy: 0.5848938079657049

minimum gb energy = 0.3035249835663144 eV
minimum distance =  2.37409086848111 Angstroms
sigma value = 19


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

Energy: 1.5690162857568388
Energy: 0.7972777367096365
Energy: 0.6768311563737591
Energy: 0.28522818535299654
Energy: 0.6075847963697351
Energy: 0.7927116863267387
Energy: 1.4268177146179113
Energy: 0.5737056049020101
Energy: 0.5508700818171691
Energy: 0.5346636231483122
Energy: 0.5845158169448375
Energy: 0.524139381050827
Energy: 1.4586860345317534
Energy: 0.5655543691123348
Energy: 0.5342372075267654
Energy: 0.5362071056817479
Energy: 0.5731176183642043
Energy: 0.5373741012340382
Energy: 1.0899640292649992
Energy: 0.7494678486434402
Energy: 0.6687435407014081
Energy: 0.6553087383555669
Energy: 0.552820769918894
Energy: 0.7055329886237925
Energy: 1.397047473463396
Energy: 0.5312542612274846
Energy: 0.5542881168345096
Energy: 0.5041695197896893
Energy: 0.5598234196872373
Energy: 0.506391385248291
Energy: 1.0264028031676424
Energy: 0.8231971005246576
Energy: 0.6710349377515068
Energy: 0.6236275865915618
Energy: 0.8247231428697085
Energy: 0.7047672425588972
Energy: 0.9971222658818183
Energy: 0.6393220952163016
Energy: 0.5064046936068644
Energy: 0.6840529365311989
Energy: 0.6619510003890644
Energy: 0.6642684097088579
Energy: 1.0028576859288536
Energy: 0.4734596801481666
Energy: 0.4825322476215822
Energy: 0.6477260791327107
Energy: 0.44238603522562026
Energy: 0.47724817592375984
Energy: 0.7526053846143885
Energy: 0.5137928241737624
Energy: 0.48400498673747266
Energy: 0.9230863573036152
Energy: 0.5048382382218624
Energy: 0.5311398538747734
Energy: 0.7701490542187603
Energy: 0.48680614471842887
Energy: 0.6678571911735118
Energy: 0.9417364455043301
Energy: 0.6254582255062772
Energy: 0.7121842582985387
Energy: 0.7914230430375219
Energy: 0.4792447178023029
Energy: 0.6873604463274897
Energy: 0.9012317526494521
Energy: 0.7111750487562479
Energy: 0.6698736041229674
Energy: 0.9785177250786422
Energy: 0.6496346504181962
Energy: 0.6248617720499018
Energy: 0.6803357911858566
Energy: 0.6425050721463493
Energy: 0.6164977345789927
Energy: 0.8995412869087316
Energy: 0.650705390225255
Energy: 0.6298001728769217
Energy: 0.8368188960020179
Energy: 0.6844674635735707
Energy: 0.655011838817905
Energy: 1.1006982934758942
Energy: 0.5732726920220546
Energy: 0.6720334313295302
Energy: 0.6204108696428515
Energy: 0.6154443718206452
Energy: 0.6429143818303887
Energy: 1.4108706088478022
Energy: 0.6983560546815173
Energy: 0.6772282159194862
Energy: 0.5165424961692475
Energy: 0.7009164001635401
Energy: 0.5226006480316316
Energy: 1.1350066904641924
Energy: 0.6847931032640644
Energy: 0.48048148169357363
Energy: 0.4411310907950077
Energy: 0.7020291714432441
Energy: 0.4971363818081204
Energy: 1.2896879991484882
Energy: 0.9650590003554935
Energy: 0.7208120874386141
Energy: 0.6086735810009886
Energy: 0.7123485109547385
Energy: 0.724562002313398
Energy: 1.0943840869963684
Energy: 0.7222550816639828
Energy: 0.753725465270381
Energy: 1.0282214712483224
Energy: 0.7893198405298287
Energy: 0.707909245833511
Energy: 1.0919395286439801
Energy: 0.6361930465506771
Energy: 0.6078545744623586
Energy: 0.7767605756472654
Energy: 0.7094519264732818
Energy: 0.7002264504658391
Energy: 1.1870724866528946
Energy: 0.8306581938109151
Energy: 0.6899465923998523
Energy: 0.6466491545285711
Energy: 0.855582446681438
Energy: 0.6408106668492672
Energy: 1.0461415767022166
Energy: 0.6656156724930791
Energy: 0.6592650416853161
Energy: 0.643942008099279
Energy: 0.6775802753060549
Energy: 0.5686144910954987
Energy: 1.0612240521823966
Energy: 0.49269897636047255
Energy: 0.7714423255922462
Energy: 0.6960913617480097
Energy: 0.6754394528615874
Energy: 0.736046448776837
Energy: 1.059223603811714
Energy: 0.2874135126847222
Energy: 0.30806051912003835
Energy: 1.0111365139021502
Energy: 0.2900193575753013
Energy: 0.6695855173750965
Energy: 0.7447407466898277
Energy: 0.6409194100107709
Energy: 0.49189242021903795
Energy: 0.717890883796258
Energy: 0.7532672089542742
Energy: 0.6578986260161408
Energy: 0.7833223299442552
Energy: 0.5219842818968046
Energy: 0.6773915674863805
Energy: 0.739377797551737
Energy: 0.5169839826098857
Energy: 0.7673718514553037
Energy: 0.8471940244533545
Energy: 0.6632219693156827
Energy: 0.49222909828807077
Energy: 0.5598138573139221
Energy: 0.6714754890039715
Energy: 0.554037435589455
Energy: 1.1018006068772745
Energy: 0.5422347060999738
Energy: 0.5045143352256657
Energy: 0.5891518986564384
Energy: 0.505543674163249
Energy: 0.5656298350374867
Energy: 0.8940836121859546
Energy: 0.4988058083768065
Energy: 0.5212449850498487
Energy: 0.8605218221039803
Energy: 0.5092318282683665
Energy: 0.5434791213866728
Energy: 1.2309650911636245
Energy: 0.5666371711865366
Energy: 0.4951611058799268
Energy: 0.5377107782878171
Energy: 0.5267080104247502
Energy: 0.5286329741554167
Energy: 1.2437975187365424
Energy: 0.5591044994316046
Energy: 0.5021485993868333
Energy: 0.5013393933660677
Energy: 0.5345428538646052
Energy: 0.7659197497980579

minimum gb energy = 0.28522818535299654 eV
minimum distance =  2.30783378497461 Angstroms
sigma value = 27


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

Energy: 1.1244415953983578
Energy: 0.8683032555248597
Energy: 0.646887584902918
Energy: 0.3332997456371614
Energy: 1.4750395888096455
Energy: 0.6057160232504066
Energy: 1.0402563900035877
Energy: 0.5314155776262401
Energy: 0.3345325950951197
Energy: 0.5379192152586003
Energy: 0.6807915798216825
Energy: 0.3403503839046421
Energy: 1.4492516868245517
Energy: 0.5411314152550412
Energy: 0.5435935704496316
Energy: 0.3162927291542947
Energy: 0.6770333789193519
Energy: 0.5589856179695128
Energy: 1.2217403348026687
Energy: 0.7032070471459607
Energy: 0.7067894466993141
Energy: 0.4573412081042784
Energy: 0.481366655717568
Energy: 0.34121399934095753
Energy: 1.1989067480087108
Energy: 0.5007245779247125
Energy: 0.34982896622840154
Energy: 0.3366451667697241
Energy: 0.5079189206713455
Energy: 0.35142217150688476
Energy: 0.9179238071542231
Energy: 0.5011992364466634
Energy: 0.5490832914792875
Energy: 0.7779685860815599
Energy: 0.27906386070399825
Energy: 0.545613582889079
Energy: 0.8180829940821178
Energy: 0.34847796004751097
Energy: 0.3489250996300723
Energy: 0.8048269784543286
Energy: 0.3250437677187352
Energy: 0.3646335867017292
Energy: 0.9668657906713647
Energy: 0.5058031728406858
Energy: 0.5097901776080763
Energy: 0.9636789786032312
Energy: 0.5207982139387909
Energy: 0.4700625077010968
Energy: 0.954559895255216
Energy: 0.4823898257360136
Energy: 0.2754488763583281
Energy: 0.3296091257642173
Energy: 0.48552651372685446
Energy: 0.366113216793644
Energy: 0.7829839008382935
Energy: 0.556812929086168
Energy: 0.3740824839740154
Energy: 0.31868366029389394
Energy: 0.540314056656237
Energy: 0.5851950869430368
Energy: 0.748143032350753
Energy: 0.26512355476482424
Energy: 0.27544917156637155
Energy: 0.32753645509447177
Energy: 0.2599105052316679
Energy: 0.4160147985707447
Energy: 1.0402564017904894
Energy: 0.5488736720198123
Energy: 0.35319348549631047
Energy: 0.3395828530295971
Energy: 0.3605665824673902
Energy: 0.3400034634782315

minimum gb energy = 0.2599105052316679 eV
minimum distance =  2.33581446815404 Angstroms
sigma value = 9


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

Energy: 2.0799760898376025
Energy: 1.8195969812366097
Energy: 0.6174434670860945
Energy: 0.5572107411960262
Energy: 0.6053492457395401
Energy: 0.6185247906168019
Energy: 0.9791222897914235
Energy: 0.45715507573758063
Energy: 0.44193205250011586
Energy: 0.4245316764647707
Energy: 0.47126449002737586
Energy: 0.46557195803098994
Energy: 1.0630125175093124
Energy: 0.4316838536418122
Energy: 0.4253327298267785
Energy: 0.3951133508507197
Energy: 0.49218199130137025
Energy: 0.4314445581968898
Energy: 1.0583853408939283
Energy: 0.5334321692348155
Energy: 0.5400412062557615
Energy: 0.5318745218051688
Energy: 0.5227924166631298
Energy: 0.5222992104368182
Energy: 1.030001071981337
Energy: 0.398717660037325
Energy: 0.36827965875286617
Energy: 0.49243790883725025
Energy: 0.3474369220012839
Energy: 0.4087905049116942
Energy: 0.6844888485920534
Energy: 0.3073464411239189
Energy: 0.34418523879054397
Energy: 0.4755630712048198
Energy: 0.4069436566432485
Energy: 0.6204591192421531
Energy: 0.600536823793946
Energy: 0.40827345700723044
Energy: 0.3933810185696319
Energy: 0.5758086763184141
Energy: 0.3917715577177569
Energy: 0.3958772511876788
Energy: 0.777618346709298
Energy: 0.30246250993525375
Energy: 0.5219433864704225
Energy: 0.5813377752603347
Energy: 0.2988099437712325
Energy: 0.6165384954320275
Energy: 0.9822493680422149
Energy: 0.4223954079658787
Energy: 0.37391719950576524
Energy: 0.37505443907404246
Energy: 0.4341567687532997
Energy: 0.39895916451913344
Energy: 1.2367351528802693
Energy: 0.5486963512758011
Energy: 0.4991882994574823
Energy: 0.5477321219626579
Energy: 0.623095599976123
Energy: 0.5734221939969508
Energy: 1.2293679446027015
Energy: 0.3563927583727049
Energy: 0.35664525268274133
Energy: 0.3706784457251612
Energy: 0.3776833364111596
Energy: 0.3754393038537386
Energy: 0.9824028935990774
Energy: 0.41488634290482995
Energy: 0.4307110702976833
Energy: 0.39427514796601815
Energy: 0.4127757365672208
Energy: 0.42040320105741774
Energy: 1.7628934851578697
Energy: 0.7610357932624486
Energy: 1.0391214786834904
Energy: 0.41073604178500495
Energy: 0.5801061182945283
Energy: 0.5615769148971473
Energy: 0.9175194828390847
Energy: 0.39854527364224546
Energy: 0.43383303077317686
Energy: 0.4722989185507229
Energy: 0.4599109934994996
Energy: 0.43581874014256267
Energy: 0.7859295010452705
Energy: 0.31200732399939995
Energy: 0.3108199799719967
Energy: 0.41077427422470386
Energy: 0.2947601802229097
Energy: 0.4683131596665033
Energy: 0.6279373441501952
Energy: 0.4382839445576898
Energy: 0.45714578260060107
Energy: 0.562110290549087
Energy: 0.4163493600329413
Energy: 0.4200879068232332
Energy: 0.6538495972912589
Energy: 0.3659727217592391
Energy: 0.35701884350886803
Energy: 0.4120601049640557
Energy: 0.38593885996796495
Energy: 0.4300871714718127
Energy: 0.9086192278735995
Energy: 0.36486006077776595
Energy: 0.3823173196814393
Energy: 0.7114963614770818
Energy: 0.30482887796024694
Energy: 0.3248998635157634
Energy: 0.786469404879748
Energy: 0.4494336202582378
Energy: 0.47781543078906663
Energy: 0.4266137449668565
Energy: 0.44869954724498556
Energy: 0.4931179922116795
Energy: 0.7554043993702
Energy: 0.38207196906013763
Energy: 0.43969662179108054
Energy: 0.46672012377154204
Energy: 0.3870816008966683
Energy: 0.4492338995485718
Energy: 0.9008465370183848
Energy: 0.45703630969817943
Energy: 0.4442493999498232
Energy: 0.42554292812432903
Energy: 0.4517987617896596
Energy: 0.45783241171211225
Energy: 0.7370895062078823
Energy: 0.3713835917414834
Energy: 0.3955622230902226
Energy: 0.29782118231724225
Energy: 0.6139822556440689
Energy: 0.33979940474174325
Energy: 0.9906608130384512
Energy: 0.4537064328534685
Energy: 0.37223515413222363
Energy: 0.3928592057215781
Energy: 0.44718940423683873
Energy: 0.4194373468426552
Energy: 0.923273149398123
Energy: 0.40715745692744754
Energy: 0.418208157802329
Energy: 0.4172890960036852
Energy: 0.4582143700546678
Energy: 0.4465503800682787
Energy: 1.1731745578363681
Energy: 0.51465109551144
Energy: 0.45640647198093504
Energy: 0.4276584513268141
Energy: 0.5078782224765119
Energy: 0.35537415567029407
Energy: 0.9376672779799932
Energy: 0.45406666540815827
Energy: 0.4164808191856644
Energy: 0.47171997317005543
Energy: 0.45696638082115976
Energy: 0.4063544616601753
Energy: 1.036131968076689
Energy: 0.7807411494428894
Energy: 0.3822748244494974
Energy: 0.8193915331201554
Energy: 0.6544768023746349
Energy: 0.6670271790318879
Energy: 0.5989389234789624
Energy: 0.4016776651737097
Energy: 0.42727513739696693
Energy: 0.48699599798900906
Energy: 0.39375311378373673
Energy: 0.397445082809226
Energy: 0.6121163249800396
Energy: 0.3964622130264338
Energy: 0.4038907725985667
Energy: 0.594118028171469
Energy: 0.3980560103950643
Energy: 0.3735998367738011
Energy: 0.813026234742039
Energy: 0.29130684471574453
Energy: 0.4695554530618634
Energy: 0.5282328647731789
Energy: 0.30798525664802184
Energy: 0.4872329805134547
Energy: 1.2394025411227956
Energy: 0.3594198801935193
Energy: 0.38861952018954726
Energy: 0.3453906889404815
Energy: 0.36236728451631506
Energy: 0.38046922467886746
Energy: 1.233445761463227
Energy: 0.6979232329798691
Energy: 0.6981286538897207
Energy: 0.5494059349054865
Energy: 0.6875558174666964
Energy: 0.562196803925767
Energy: 0.9044472710814827
Energy: 0.4323677212997198
Energy: 0.39209526917359916
Energy: 0.36491030122786633
Energy: 0.5933927425104547
Energy: 0.3883194362058713
Energy: 1.23626046127528
Energy: 0.334815181601565
Energy: 0.40171815253247023
Energy: 0.3112148951511361
Energy: 0.5497789780919301
Energy: 0.4919274565768133
Energy: 1.014594866448231
Energy: 0.4006423854166133
Energy: 0.42002874010693103
Energy: 0.3742132450760896
Energy: 0.3990139804165828
Energy: 0.39472661661039715
Energy: 0.9101701733264831
Energy: 0.3564642493194319
Energy: 0.3846156226731144
Energy: 0.5131180319104133
Energy: 0.30168507335376993
Energy: 0.5431054906965297
Energy: 0.6202769543820698
Energy: 0.4078355503079571
Energy: 0.4328745747933086
Energy: 0.43713895045423945
Energy: 0.40411682404175336
Energy: 0.43144387748288987
Energy: 0.6197289536484563
Energy: 0.35508211500609504
Energy: 0.4724049272167241
Energy: 0.4330559405794394
Energy: 0.37820838366577847
Energy: 0.43784386713866486
Energy: 1.3100637494442526
Energy: 0.6806084781537346
Energy: 0.6925669069106989
Energy: 0.6169028742361979
Energy: 0.7019150270417073
Energy: 0.5370060549762566
Energy: 0.769712213892216
Energy: 0.36840590083017133
Energy: 0.47634413347047566
Energy: 0.5801763481059176
Energy: 0.37197360355787873
Energy: 0.46105038936663845
Energy: 0.7643783446402179
Energy: 0.4286080982758274
Energy: 0.45035162982614674
Energy: 0.492728388960387
Energy: 0.40959972124934774
Energy: 0.45544171355775365
Energy: 0.8815843697034278
Energy: 0.45588279438012946
Energy: 0.4679257808546854
Energy: 0.42820277701572645
Energy: 0.45615511855068186
Energy: 0.4931156434555571
Energy: 0.8340520347179194
Energy: 0.43270399483303806
Energy: 0.4432909097009846
Energy: 0.39480167819517537
Energy: 0.4435213926443573
Energy: 0.41304718105907856

minimum gb energy = 0.29130684471574453 eV
minimum distance =  2.38783392104767 Angstroms
sigma value = 57


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

Energy: 0.9214371777031899
Energy: 0.678140251265583
Energy: 0.17280493941009656
Energy: 0.3319276462789584
Energy: 0.10696072577564118
Energy: 0.673616539927513
Energy: 0.8863451980732145
Energy: 0.2990325699509659
Energy: 0.2948306051521371
Energy: 0.32567033630460407
Energy: 0.41957436791887526
Energy: 0.2713561312301867
Energy: 0.4212546274611933
Energy: 0.992044033594828
Energy: 0.28928793229313343
Energy: 0.37449055068508114
Energy: 0.552136072877379
Energy: 1.0141981919538354
Energy: 0.5106053888703154
Energy: 0.3995262703999957
Energy: 0.571863674021099
Energy: 0.5866777486369286
Energy: 0.7334477084735037
Energy: 0.3722040407611879
Energy: 0.6638858818715023
Energy: 0.3206609250018572
Energy: 0.3331018116759418
Energy: 0.5583714045633171
Energy: 0.30963453948831654
Energy: 0.5444738417384748
Energy: 0.5871385082237688
Energy: 0.33668966144035906
Energy: 0.3334943220670749
Energy: 0.37294843065279315
Energy: 0.33934522624587277
Energy: 0.33470584599496944
Energy: 0.6653263931349573
Energy: 0.5451451375798183
Energy: 0.5363439612962897
Energy: 0.6462164524826066
Energy: 0.5466247378000312
Energy: 0.5546474848126761
Energy: 0.5528339792915132
Energy: 1.0136143687722179
Energy: 0.6848516922931042
Energy: 0.8862955952315963
Energy: 0.598530028212498
Energy: 0.9161162298097267
Energy: 0.6296352737310049
Energy: 0.6339358039992291
Energy: 0.6681959152434528
Energy: 0.7433988556677121
Energy: 0.673986197103343
Energy: 0.6655631076385474
Energy: 0.7519262099121659
Energy: 0.6660433135288807
Energy: 0.16886353884252714
Energy: 0.2538136869640359
Energy: 0.6356586692022057
Energy: 0.5100356282694107
Energy: 0.723080978514023
Energy: 0.6790152925318828
Energy: 0.6790764692814695
Energy: 0.17593232324979544
Energy: 0.6330794778247176
Energy: 0.5054507108848892
Energy: 0.4292359546695165
Energy: 0.6703357024940774
Energy: 0.6683486707003476
Energy: 0.6702083776526615
Energy: 0.676633573981952
Energy: 0.6576305193868267
Energy: 2.7539597258678565
Energy: 0.7781037987231681
Energy: 0.5519182440865282
Energy: 0.9713925885633109
Energy: 0.8175330790545086
Energy: 0.7672200694450176
Energy: 0.4317896445396125
Energy: 0.5644359470235258
Energy: 0.5330439086492959
Energy: 0.5929279438062978
Energy: 0.34580230930147565
Energy: 0.5890337110054312
Energy: 0.4370123813854409
Energy: 0.3444810397769887
Energy: 0.340471337338988
Energy: 0.4360137810530318
Energy: 0.328971158675163
Energy: 0.3583910517667432
Energy: 0.6613942790475587
Energy: 0.5124742981627988
Energy: 0.5525647718208799
Energy: 0.6645169961216983
Energy: 0.31337502463443434
Energy: 0.5646009841358798
Energy: 0.695198743190318
Energy: 0.6796932986691394
Energy: 0.6721690895709974
Energy: 0.6711581360648945
Energy: 0.21760128067398463
Energy: 0.326390649348949
Energy: 0.519278143329778
Energy: 0.5506042149610418
Energy: 0.2542751658710128
Energy: 0.2742501975536706
Energy: 0.2948617078387739
Energy: 0.9896928907974281
Energy: 0.7826016924777525
Energy: 0.4668880006688994
Energy: 0.2962536047997495
Energy: 0.22642934419270838
Energy: 0.3464009688476949
Energy: 0.22878068887380554

minimum gb energy = 0.10696072577564118 eV
minimum distance =  2.3542394799702 Angstroms
sigma value = 11


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

Energy: 1.6772907532118795
Energy: 0.7640811746732667
Energy: 1.228992315936328
Energy: 0.4749157262847553
Energy: 2.0685460467716354
Energy: 1.4933645600076908
Energy: -0.0019498488598695249
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Energy: 0.7030706351588479
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Energy: 0.3250437184319788
Energy: 0.650926728838446
Energy: 0.47775876825513963
Energy: 0.3168399600442795
Energy: 1.055488406793372
Energy: 0.48179276122401893
Energy: 0.4410216587326097
Energy: 0.9196659261495863
Energy: 0.3923820373409701
Energy: 0.6337788716372688
Energy: 0.507730401330442
Energy: 0.29908243997873646
Energy: 0.3133203037724593
Energy: 0.26335758218259453
Energy: 0.30020828264796456
Energy: 0.29245161752462406
Energy: 0.4635821818199516
Energy: 0.2903909335342202
Energy: 0.29163377839437177
Energy: 0.35747426156337503
Energy: 0.26787703731451445
Energy: 0.35336702924916463
Energy: 0.5137165005508275
Energy: 0.32063183995186206
Energy: 0.2767909604484027
Energy: 0.34377461524464564
Energy: 0.3160328114189633
Energy: 0.2748747584282086
Energy: 0.9626975810505995
Energy: -0.03705528435520243
Energy: 0.2824865302624481
Energy: 0.5040122534171008
Energy: 0.17726969262877013
Energy: 0.2873868922852494

minimum gb energy = -0.07687351787952788 eV
minimum distance =  2.32233400106955 Angstroms
sigma value = 41


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

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Energy: 1.217781013910463
Energy: 0.6283267366193762
Energy: 0.8184037621237104
Energy: 2.1105208839231695
Energy: 0.9000594710849991
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Energy: 1.0104002982193392
Energy: 0.6049366053330262
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Energy: 0.04597341714362301
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Energy: 0.4721425878497022
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Energy: 0.06485241697986874
Energy: 0.00047984143054938635
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Energy: 0.09002425335492104
Energy: 0.6781978359644876
Energy: 0.42677372975699046
Energy: 0.31130551904766657
Energy: 0.019543083243784183
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Energy: 0.3148691969235009
Energy: 0.9169406085948449
Energy: 0.7828781005854281
Energy: 0.7726604511433718
Energy: 0.4200225669559135
Energy: 0.7293136144457695
Energy: 0.7037333035704634
Energy: 0.7008303721185015
Energy: 0.07487098169131856
Energy: 0.11847437786830839
Energy: 0.8180926148701423
Energy: 0.06585401757582564
Energy: 0.15029725210423178
Energy: 1.0934029374797938
Energy: 0.8385637544992225
Energy: 0.8355075544291733
Energy: 1.0072471347434542
Energy: 0.4955873188554982
Energy: 0.7362388094331259
Energy: 0.5276562957263339
Energy: 0.3179504332090262
Energy: 0.3126112244446531
Energy: 0.28033688370510296
Energy: 0.3067841114897242
Energy: 0.31350205084172433
Energy: 0.5975514884857418
Energy: 0.4678078925452354
Energy: 0.46859040470400387
Energy: 0.4602697449230029
Energy: -0.12002024627942595
Energy: 0.45025861292948727
Energy: 0.6787155918603841
Energy: 0.031035256932763884
Energy: 0.061874019289431
Energy: 0.4386262964106746
Energy: 0.06404433512067488
Energy: 0.04820091573453508
Energy: 1.4051155247823244
Energy: 0.3947228115262216
Energy: 0.5632764094727978
Energy: 0.03324191962725207
Energy: 0.3729786143849156
Energy: 0.5491222474943169

minimum gb energy = -0.1450783791439429 eV
minimum distance =  2.3358113397282 Angstroms
sigma value = 33


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

Energy: 0.6427455353122411
Energy: 1.148701369388681
Energy: 1.1383088640382215
Energy: 0.09306037964941051
Energy: 1.9795328101879477
Energy: 1.1416248571693506
Energy: 0.20485473741512383
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Energy: 0.7985197054688258
Energy: 0.5957277247081649
Energy: 0.7485958704751919
Energy: 0.2405219491224286
Energy: 0.2401748880484967
Energy: 0.24305639125847592
Energy: 0.592939020008949
Energy: 0.2151336728699519
Energy: 0.2050531123383227
Energy: 1.3346783270567801
Energy: 0.5896820972267984
Energy: 1.1327838064630276
Energy: 0.9836196146483013
Energy: 0.574116429431713
Energy: 1.0740094291717308

minimum gb energy = 0.0189434118787656 eV
minimum distance =  2.29241586138295 Angstroms
sigma value = 67


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

Energy: 0.9915003911416884
Energy: 0.4659322764368225
Energy: 0.46258769180771186
Energy: 0.4129072177898777
Energy: 0.4272396946337341
Energy: 0.473210919711688
Energy: 0.37252561133194195
Energy: 0.30188556537612765
Energy: 0.3071645028268328
Energy: 0.2955216020072924
Energy: 0.3024411937750216
Energy: 0.30685155063050984
Energy: 0.37366632343314393
Energy: 0.1963751033834202
Energy: 0.1751265773092191
Energy: 0.22712068082111667
Energy: 0.2345274256388931
Energy: 0.22124271561335201
Energy: 0.25004154294135605
Energy: 0.20195852896256608
Energy: 0.1911482948174003
Energy: 0.16250327845353502
Energy: 0.22065412840151835
Energy: 0.2538043527955369
Energy: 0.42832098038770555
Energy: 0.316386491221975
Energy: 0.2958242728293969
Energy: 0.4130477823085953
Energy: 0.3355857345411117
Energy: 0.28814840907195666
Energy: 0.4136135613340694
Energy: 0.07957283452741191
Energy: 0.32035293119999647
Energy: 0.4021057863293556
Energy: 0.32350010157994585
Energy: 0.30813070507585155
Energy: 0.6273527244553075
Energy: 0.30753640425792494
Energy: 0.3063088562024933
Energy: 0.18838883790253183
Energy: 0.31287424903305094
Energy: 0.3001981084799794

minimum gb energy = 0.07957283452741191 eV
minimum distance =  2.42934776092094 Angstroms
sigma value = 3


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

Energy: 0.5641396053595032
Energy: 0.6985649791878276
Energy: 0.5636409450862241
Energy: 0.014090040564759935
Energy: 1.3467679987343317
Energy: 0.5358670641260989
Energy: 0.46542923717466167
Energy: 0.33931763286117617
Energy: 0.3875813171941109
Energy: 0.4391718565216807
Energy: 0.4604335403503364
Energy: 0.39918110390749983
Energy: 0.27653132647527867
Energy: 0.2567011719053679
Energy: 0.3950140909831574
Energy: 0.24010580461549108
Energy: 0.297311084592908
Energy: 0.382282737305269
Energy: 0.2976270728268417
Energy: 0.21616059919149633
Energy: 0.2368904445609227
Energy: 0.37139590796003663
Energy: 0.23996273782999522
Energy: 0.24277385257171824
Energy: 0.49045921140842313
Energy: 0.2766663878637883
Energy: 0.3073163811031625
Energy: 0.39557777935250976
Energy: 0.22425437482765084
Energy: 0.318286428373171
Energy: 0.4883532178773599
Energy: 0.27602518020203176
Energy: 0.2864180365825883
Energy: 0.2625773420853934
Energy: 0.2549971238802124
Energy: 0.3304834724547859
Energy: 0.46376745919642137
Energy: 0.2972535788101453
Energy: 0.29959099349934626
Energy: 0.3547686615233291
Energy: 0.3061674190097984
Energy: 0.2867345574505118
Energy: 0.38525537619677946
Energy: 0.4496876337127028
Energy: 0.6232890133774049
Energy: 0.010149675052431159
Energy: 0.6826879242600705
Energy: 0.6849461680850552
Energy: 0.47373711466510615
Energy: 0.4097725749156854
Energy: 0.383572602245495
Energy: 0.3240792969004833
Energy: 0.5518599262750229
Energy: 0.4067364875378697
Energy: 0.8559412135044578
Energy: 0.06001950589996255
Energy: 0.08966387635218444
Energy: 0.6707882377898446
Energy: 0.06204521497754214
Energy: 0.4480900432467883
Energy: 0.44952653864786285
Energy: 0.4216565300108521
Energy: 0.44401232105154964
Energy: 0.5218583438539797
Energy: 0.4336055679355009
Energy: 0.6172769357198855
Energy: 0.5006792925211536
Energy: 0.30205821205787
Energy: 0.2602523879285674
Energy: 0.3125149029351641
Energy: 0.3143022856059049
Energy: 0.2587090652895585
Energy: 0.42175759859863715
Energy: 0.24494629466547124
Energy: 0.23692923979707858
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Energy: 0.3094061081909791
Energy: 0.2646018893593536
Energy: 0.8567759021779547
Energy: 0.5087226549479366
Energy: 0.46120680756897486
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Energy: 0.5797904044381176
Energy: 0.471345953415067
Energy: 0.4069830143201918
Energy: 0.566656052263502
Energy: 0.23190770405615066
Energy: 0.09747186505090381
Energy: 0.5845666649375323
Energy: 0.2544100053676869
Energy: 0.603872552434032
Energy: 0.42474151796035364
Energy: 0.41107909509296636
Energy: 0.33689555873872057
Energy: 0.4244377096560213
Energy: 0.39703501273412495
Energy: 0.7334603093079342
Energy: 0.5969413219327406
Energy: 0.5589322275468056
Energy: 0.3676047953033894
Energy: 0.1511612994618826
Energy: 0.592306593177803
Energy: 0.5434685709116709
Energy: 0.36210419342204037
Energy: 0.3697143651067541
Energy: 0.520097423686243
Energy: 0.49230845929565786
Energy: 0.36313553697621115
Energy: 0.5793697981328667
Energy: 0.17929060795438523
Energy: 0.3700849485519364
Energy: 0.14560263355944464
Energy: 0.19402524237204577
Energy: 0.44102930335994933
Energy: 0.5555254067843596
Energy: 0.4354832132429885
Energy: 0.4336857513933527
Energy: 0.09081625684749166
Energy: 0.5036192649843023
Energy: 0.0712718199678988
Energy: 0.44623387069344295
Energy: 0.22127039492620246
Energy: 0.22289899559865878
Energy: 0.27978315711313745
Energy: 0.2878833182573942
Energy: 0.24864407737945804
Energy: 0.4534365503378186
Energy: 0.21837451008578837
Energy: 0.31512211539703955
Energy: 0.21015464663344438
Energy: 0.23012410773974776
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Energy: 0.4450797593970558
Energy: 0.256905072572977
Energy: 0.25602050658082776
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Energy: 0.2438572112563755
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Energy: 0.4883935331906284
Energy: 0.18004127323045643
Energy: 0.20398322730602245
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Energy: 0.1239283045397845
Energy: 0.37339282879407093
Energy: 0.39751204763043935
Energy: 0.40741088484440335
Energy: 0.3970598796827784
Energy: 0.6212325302129328
Energy: 0.4118267699679285
Energy: 0.4018033948671262
Energy: 0.4795450768012786
Energy: 0.4925304684671867
Energy: 0.33027618335096015
Energy: 0.26948860322403034
Energy: 0.6411546698272848
Energy: 0.5124978119016592
Energy: 0.9291580200878317
Energy: 0.4884926445897673
Energy: 0.3399579380904003
Energy: 0.3157174707394876
Energy: 0.4979950368681908
Energy: 0.49030805609960343
Energy: 0.3098884232895887
Energy: 0.4061998494234043
Energy: 0.40942302216290877
Energy: 0.4465833113355956
Energy: 0.4047681794144107
Energy: 0.4255276554605855
Energy: 0.2857349753098153
Energy: 0.2522368878604022
Energy: 0.24155540545010892
Energy: 0.3563573116258294
Energy: 0.2551876414975554
Energy: 0.22089181277154096
Energy: 0.6036184148916242
Energy: 0.43284195848764523
Energy: 0.4456496786647618
Energy: 0.5840944001062423
Energy: 0.4617618157651601
Energy: 0.4211461815007488
Energy: 0.47709646799347855
Energy: 0.34254595777989444
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Energy: 0.22748483283860152
Energy: 0.36098706582380474
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Energy: 0.485039013993084
Energy: 0.32015663296713565
Energy: 0.29527624511070655
Energy: 0.3185559662248774
Energy: 0.27903850351443943
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Energy: 0.08497440656582449
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Energy: 0.3683323897021623
Energy: 0.5445072436118789
Energy: 0.3741047463594601
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Energy: 0.3657082081243757
Energy: 0.40613620930528177
Energy: 0.6897503851887432
Energy: 0.6431431440890601
Energy: 0.30214369630535554
Energy: 0.7064832285325069
Energy: 0.06141761678898739
Energy: 0.03637416001475828
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Energy: 0.019860709040078865
Energy: 0.6072208982225897
Energy: 0.4790762457446864
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Energy: 0.37803296363904737
Energy: 0.3219607945193835
Energy: 0.3314789160527955
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Energy: 0.2812280958079219
Energy: 0.4625168102963193
Energy: 0.2249129865660556
Energy: 0.2262658264026953
Energy: 0.43155162891269044
Energy: 0.6751055694339771
Energy: 0.43415344673603845
Energy: 0.4343304984106872
Energy: 0.4477793977926357
Energy: 0.4368061877625153
Energy: 0.43448943807455587
Energy: 0.376679914968164
Energy: 0.2578236440327752
Energy: 0.20701943034235362
Energy: 0.18404457509961336
Energy: 0.18369533869017088
Energy: 0.21214947179560337
Energy: 0.5353211447451577
Energy: 0.43106974776767787
Energy: 0.4245048148337995
Energy: 0.38927018166201743
Energy: 0.44266203686139177
Energy: 0.39084278632866576
Energy: 0.5374513400346544
Energy: 0.4567288679032808
Energy: 0.45126117631681706
Energy: 0.32502013073797553
Energy: 0.2954920716784513
Energy: 0.4927880506497897
Energy: 0.7399597891335007
Energy: 0.47255687277741726
Energy: 0.47001606118659733
Energy: 0.5410373518492562
Energy: 0.34122920092639386
Energy: 0.26555389820602093
Energy: 0.5462551794743915
Energy: 0.4187783381267679
Energy: 0.3978946244273637
Energy: 0.46492178769868187
Energy: 0.4325472035274026
Energy: 0.39954701232823664
Energy: 1.1461954867917898
Energy: 0.3888152064194887
Energy: 0.09944973027038399
Energy: 0.28604853541518827
Energy: 0.4389352617532756
Energy: 0.18241831668945266
Energy: 0.4754513991892521
Energy: 0.26511517697563236
Energy: 0.2685915141049718
Energy: 0.28386410982728716
Energy: 0.29230246258748377
Energy: 0.2734991110988513
Energy: 0.4413930865650373
Energy: 0.22157915409877532
Energy: 0.2571136235352634
Energy: 0.29939157757979346
Energy: 0.2929916564733256
Energy: 0.2729515621017141
Energy: 0.43273491890415383
Energy: 0.26791763142248265
Energy: 0.22119271958318798
Energy: 0.2743943341763349
Energy: 0.2593814411983196
Energy: 0.24832588168205028
Energy: 0.4954122270035775
Energy: 0.37148442015131855
Energy: 0.5938203296893466
Energy: 0.48075793889836393
Energy: 0.15485578951624768
Energy: 0.565144002585507
Energy: 0.5466738273766648
Energy: 0.2921687519876781
Energy: 0.3619964827904786
Energy: 0.4482891912095628
Energy: 0.17727684549341655
Energy: 0.3279759576533241
Energy: 0.4581774863577033
Energy: 0.3865484397503385
Energy: 0.3895791674584832
Energy: 0.3643380090245608
Energy: 0.6459263757362879
Energy: 0.37754513669928713

minimum gb energy = 0.010149675052431159 eV
minimum distance =  2.37645332602627 Angstroms
sigma value = 81


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

Energy: 2.0055910492504907
Energy: 0.27004509001449817
Energy: 0.23262250472035345
Energy: 0.20191079879557916
Energy: 0.976447779913886
Energy: 0.1853975597150581
Energy: 0.3844775143866059
Energy: 0.3605569264018404
Energy: 0.3694547414371783
Energy: 0.2563083557989937
Energy: 0.1661788629667538
Energy: 0.37411747866966916
Energy: 0.23868992824578247
Energy: 0.19037035251062567
Energy: 0.17537521632785466
Energy: 0.06465758795767021
Energy: 0.17248403907015367
Energy: 0.17985587536464323
Energy: 0.5697165455327146
Energy: 0.17429414261438167
Energy: 0.33610110956107764
Energy: 0.3515611914714484
Energy: 0.17332625159702028
Energy: 0.3359977139142061
Energy: 0.23019143970882644
Energy: 0.028047216164699407
Energy: 0.269783120075078
Energy: 0.4486482431664265
Energy: -0.0811861693839986
Energy: 0.26389970151287184
Energy: 0.20721109796501935
Energy: 0.24979065126270633
Energy: 0.2995706231571643
Energy: -0.021973126873410947
Energy: 0.2609878947949114
Energy: 0.2744970163803826
Energy: 0.6158995307574677
Energy: 0.3274071606359135
Energy: 0.30884414906133106
Energy: 0.4632386342547957
Energy: 0.4347643640712294
Energy: 0.4245959724769936
Energy: 0.3897122430815139
Energy: 0.4368230036070707
Energy: 0.36182968011591904
Energy: -0.018451829379932748
Energy: 0.42210645463341145
Energy: 0.05104004959431437
Energy: 0.6594588980625334
Energy: 0.3807992899329018
Energy: 0.30984354565299216
Energy: 0.5705468674650348
Energy: 0.36571308092594723
Energy: 0.35455016354121294
Energy: 0.3201479745885332
Energy: 0.21136458567298197
Energy: 0.4848970583590371
Energy: 0.8584276497991481
Energy: 0.15873807606214882
Energy: 0.22719697704643227
Energy: 0.6217260109690088
Energy: 0.34700484526079345
Energy: 0.3454557198041403
Energy: 0.5725807278298815
Energy: 0.25001389023215204
Energy: 0.5388798965471784
Energy: 0.4514010100926406
Energy: 0.36318068553838684
Energy: 0.351245160807088
Energy: 0.22149642834194078
Energy: 0.3435246911309846
Energy: 0.1494542949341139
Energy: 0.4326275639371383
Energy: 0.3451353592307713
Energy: 0.3160111533592201
Energy: 0.18968972447243931
Energy: 0.3427240423851121
Energy: 0.15109804551841233
Energy: 0.4226083081378033
Energy: 0.36899372926009966
Energy: 0.31422426695971767
Energy: 0.2534611879824103
Energy: 0.4022904530556265
Energy: 0.2569342981791494
Energy: 0.4812394076012493
Energy: 0.48306878105266704
Energy: 0.14182773326288567
Energy: -0.08754918087997836
Energy: 0.509045597773941
Energy: 0.07789317537354382
Energy: 0.5977218723786553
Energy: 0.4378276916320009
Energy: 0.4421559472519324
Energy: 0.4817012858800059
Energy: 0.4660330292163842
Energy: 0.44370278435845945
Energy: 0.5844180873177625
Energy: 0.3135887797603332
Energy: 0.1851616153451346
Energy: 0.47935868498463663
Energy: 0.30044033672565107
Energy: 0.22848399901953728
Energy: 0.4698946658514428
Energy: 0.36938276693531646
Energy: 0.3985189622615971
Energy: 0.46952484659397264
Energy: 0.3872608497566163
Energy: 0.4457705660563032
Energy: 0.5121230408520895
Energy: 0.521453598833077
Energy: 0.2954020387045198
Energy: 0.4500122343498778
Energy: 0.556247268931414
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Energy: 0.6414090602065894
Energy: 0.4668802205590163
Energy: 0.058404187640753814
Energy: 0.5289504150222305
Energy: 0.6207376281055001
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Energy: 0.2141624759268631
Energy: 0.3210419430413758
Energy: 0.29841370478162854
Energy: 0.16982886708816827
Energy: 0.18609733113277419
Energy: 0.4909717334438398
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Energy: 0.3084797833801548
Energy: 0.1672732962228118
Energy: 0.11108887517597495
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Energy: 0.33149751138748496
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Energy: 0.2446191258399076
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Energy: 0.08570740108246415
Energy: 0.5391928730646747
Energy: 0.3028788943781789
Energy: 0.3222433926571278
Energy: 0.41538343909168096
Energy: 0.36639884000148837
Energy: 0.3048802897175901
Energy: 0.4832928667775809
Energy: 0.4871185048341944
Energy: 0.47394204073065627
Energy: 0.26263376724697646
Energy: 0.5186279876918019
Energy: 0.45122240328423346
Energy: 0.46106745315144226
Energy: 0.439439156196007
Energy: 0.4500424559239719
Energy: 0.24361473003794384
Energy: 0.5003688287814221
Energy: 0.46038345351228116
Energy: 0.38697861371699266
Energy: 0.3494544194218068
Energy: 0.4487515820617006
Energy: 0.5213029252293859
Energy: 0.3379901268236701
Energy: 0.4938144122745311
Energy: 0.5267817521854684
Energy: 0.19637394401136207
Energy: 0.1755883725037199
Energy: 0.3381370904835657
Energy: 0.20751226153735686
Energy: 0.21732359011201474
Energy: 0.5448035633091703
Energy: 0.22272008672546983
Energy: 0.2240934023428022
Energy: 0.44747239544143697
Energy: 0.2529725117593331
Energy: 0.16504896629152013
Energy: 0.3706099165396695
Energy: 0.08499109973084193
Energy: 0.10451034537391925
Energy: 0.16803267010428277
Energy: 0.11662856838142609
Energy: 0.19044263059850317
Energy: 0.5400292714673924
Energy: 0.32802086348939136
Energy: 0.3784479053406999
Energy: 0.3251500737990849
Energy: 0.2709387235625135
Energy: 0.28462281277757207
Energy: 0.47028943039582816
Energy: 0.052093898167374836
Energy: 0.06434104072227122
Energy: 0.0518881414038017
Energy: 0.1370670849983209
Energy: 0.2638535184166875
Energy: 0.5309364894923132
Energy: 0.29561123325657146
Energy: 0.26035856812253305
Energy: 0.2650983258237483
Energy: 0.2759289022199483
Energy: 0.25610791588990706
Energy: 0.5697605778305023
Energy: 0.4961720000688772
Energy: 0.5009034488319111
Energy: 0.49413250916498497
Energy: 0.2547063515163131
Energy: 0.4791583012358427
Energy: 0.36400708808225263
Energy: 0.26389035838934977
Energy: 0.30548301646766873
Energy: 0.20745955269480706
Energy: 0.26723728746062103
Energy: 0.4065694579313336
Energy: 0.493251336040892
Energy: 0.5085079628100221
Energy: 0.4879732011719723
Energy: 0.46512134912861014
Energy: 0.5300496857768763
Energy: 0.3615092687216372
Energy: 0.5556973310263559
Energy: 1.0602025828956525
Energy: 0.5520475935922275
Energy: 0.14239369471037772
Energy: 0.27584156585664493
Energy: 0.5296554400253427

minimum gb energy = -0.08754918087997836 eV
minimum distance =  2.33726635589227 Angstroms
sigma value = 43


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

Energy: 0.6637069425340606
Energy: 0.6270271229922992
Energy: 0.6963841804732471
Energy: 0.21676302663524258
Energy: 1.3069729549917046
Energy: 0.2217360106581704
Energy: 0.4855018867679963
Energy: 0.4159313952051934
Energy: 0.2932653269526699
Energy: 0.5315729163145604
Energy: 0.41495406247414535
Energy: 0.4919193618763877
Energy: 0.2146134407719294
Energy: 0.2769515511941551
Energy: 0.3172993855411003
Energy: 0.021454225385163627
Energy: 0.3297478051324827
Energy: 0.3685129516263894
Energy: 0.7111996041430318
Energy: 0.3161504176569364
Energy: 0.49279925190691065
Energy: 0.7219681271604184
Energy: 0.5098686889160476
Energy: 0.5161994393309907
Energy: 0.4115504199324454
Energy: 0.12065742235350771
Energy: 0.1261964207802223
Energy: 0.14386225217404078
Energy: 0.1355087684549751
Energy: 0.09580736577020538
Energy: 0.3282900403630315
Energy: 0.10049815964510961
Energy: 0.0971102217002651
Energy: 0.13257477443512192
Energy: 0.09141446305840854
Energy: 0.10855608533459433
Energy: 0.5450695985753703
Energy: 0.3201280332278171
Energy: 0.14795558171791967
Energy: 0.15121236556688364
Energy: 0.3209863198166207
Energy: 0.178521742416659
Energy: 0.47882521492291785
Energy: 0.027681163080344955
Energy: 0.14616925410591272
Energy: 0.25905124641507327
Energy: 0.09315397183825398
Energy: 0.21706029089287596
Energy: 0.8068085225737309
Energy: 0.36543329937591346
Energy: 0.3600372292053019
Energy: 0.6252979911435858
Energy: 0.40315017118702096
Energy: 0.47848494274840353
Energy: 0.803272096608718
Energy: 0.4940980701793157
Energy: 0.48940818465883396
Energy: 0.630408542533308
Energy: 0.4613766460373784
Energy: 0.4084659106460322
Energy: 0.7217459958830329
Energy: 0.42613844339349655
Energy: 0.3633853324270829
Energy: 0.49183657676102227
Energy: 0.46873015412809194
Energy: 0.19911589453646397
Energy: 0.530413930886341
Energy: 0.4441655500734251
Energy: 0.4195592435554571
Energy: 0.18456950077801873
Energy: 0.4842376901324667
Energy: 0.355255844026597
Energy: 0.4638590288584527
Energy: 0.04714884484482953
Energy: 0.4553444973397158
Energy: 0.34877550338780094
Energy: 0.038014811202456346
Energy: 0.4426780664009555
Energy: 0.42804684888508165
Energy: 0.19475572251744677
Energy: 0.18271694503472002
Energy: 0.2217705920454044
Energy: 0.205195223579724
Energy: 0.19189499234423235
Energy: 0.40732277431096464
Energy: 0.27431163819852383
Energy: 0.16628986275649282
Energy: 0.21454654409089066
Energy: 0.12286411710601629
Energy: 0.17916443875131627
Energy: 0.5423597525832952
Energy: 0.3712642293945141
Energy: 0.3972652023111635
Energy: 0.506298328509882
Energy: 0.3584212372952945
Energy: 0.3780077387271702
Energy: 0.5178763773726076
Energy: 0.2719317994658792
Energy: 0.28242390339952195
Energy: 0.1353151452682678
Energy: 0.1575085127082576
Energy: 0.28445518795658203
Energy: 0.3999844787633689
Energy: 0.26694398426780774
Energy: 0.28460162766602437
Energy: 0.36822642705325587
Energy: 0.2635953839035207
Energy: 0.30954206888878866
Energy: 0.4844609303244022
Energy: 0.3359446791303535
Energy: 0.29718297904542473
Energy: 0.3072307806620538
Energy: 0.5806525129586616
Energy: 0.3568649957111429
Energy: 0.5562837920413392
Energy: 0.5680853181938565
Energy: 0.2871323905228114
Energy: 0.3876837804832877
Energy: 0.32426316849942843
Energy: 0.5047699276965392
Energy: 0.4046920150676245
Energy: 0.4659589776928989
Energy: 0.44949343448851764
Energy: 0.5731599700764366
Energy: 0.26955114488822257
Energy: 0.27259575105764994
Energy: 0.6632931636178
Energy: 0.3155072149357171
Energy: 0.4756735391695221
Energy: 0.6161011499963518
Energy: 0.25717592979534476
Energy: 0.3864170434945284
Energy: 0.7148471927582901
Energy: 0.3078063765811941
Energy: 0.3265829233283913
Energy: 0.41595949300534446
Energy: 0.33142655545233424
Energy: 0.42955742417018183
Energy: 0.4917078609900112
Energy: 0.28705854633139866
Energy: 0.2775795517824331
Energy: 0.1969956768700356
Energy: 0.3277650778430551
Energy: 0.3235818876552262
Energy: 0.6473720249366192
Energy: 0.32563555435592184
Energy: 0.40335142056929296
Energy: 0.26684175000288757
Energy: 0.4313032730868211
Energy: 0.4507033539479042
Energy: 0.4368148926882725
Energy: 0.21612841300609892
Energy: 0.20172884759762758
Energy: 0.16911648272531826
Energy: 0.22876069784556394
Energy: 0.1718660029514625
Energy: 0.474801085550182
Energy: 0.18746647051858253
Energy: 0.18349079996437045
Energy: 0.18306444408595313
Energy: 0.18267362499637918
Energy: 0.17194887016018992
Energy: 0.4639057180647849
Energy: 0.2310817680178535
Energy: 0.21633813623626474
Energy: 0.3246417371782666
Energy: 0.28766443532269564
Energy: 0.22227487374066338
Energy: 0.16344369064348127
Energy: 0.389828308041115
Energy: 0.12941610774623397
Energy: -0.037888735112489885
Energy: 0.20482214238315516
Energy: 0.1534299482974942
Energy: 0.4140552440839941
Energy: 0.22497446345012315
Energy: 0.4391925750363091
Energy: 0.4662375425552726
Energy: 0.20109887689550535
Energy: 0.6244772317573934
Energy: 0.5977638357675527
Energy: 0.6599163499560301
Energy: -0.11663682783261749
Energy: 0.40201893884512074
Energy: 0.6486401117822783
Energy: 0.3787051210278549

minimum gb energy = -0.11663682783261749 eV
minimum distance =  2.32409029865524 Angstroms
sigma value = 57


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

Energy: 0.6613792117068686
Energy: 0.5434816093361358
Energy: 0.49072336874987055
Energy: 0.2221146888900058
Energy: 0.4811766954313995
Energy: 0.4748613259505903
Energy: 0.489955702008528
Energy: 0.2749008943485133
Energy: 0.28884958310324516
Energy: 0.4625548326212033
Energy: 0.46322334754841404
Energy: 0.25914391142584264
Energy: 0.762936565636441
Energy: 0.12710811611186146
Energy: 0.15900368332177464
Energy: 0.4789401690673718
Energy: 0.13004473400594774
Energy: 0.15314140979345814
Energy: 0.547436853163173
Energy: 0.12231049799653519
Energy: 0.19933435784467857
Energy: 0.4043049167131639
Energy: 0.13304298765246933
Energy: 0.3105150900083946
Energy: 0.44389469259701514
Energy: 0.21534616988884672
Energy: 0.17814616590786336
Energy: 0.40480675595698523
Energy: 0.192742088195039
Energy: 0.21881996277822344
Energy: 0.45681426671920405
Energy: 0.1850237014881712
Energy: 0.20833264061434403
Energy: 0.2273925026415854
Energy: 0.18511627231850533
Energy: 0.23045924619762753
Energy: 0.5608577732966759
Energy: 0.27913548509885217
Energy: 0.28796084700607544
Energy: 0.2759823507344106
Energy: 0.43801007822400373
Energy: 0.3390472044442281
Energy: 0.3707842929075378
Energy: 0.22098394172614275
Energy: 0.4053016211705956
Energy: 0.17042341163800284
Energy: 0.146109020464934
Energy: 0.41963478376249963
Energy: 0.5566217841486043
Energy: 0.3377452889040251
Energy: 0.34202893139651247
Energy: 0.2881637661481361
Energy: 0.3746934224252089
Energy: 0.31929781390634876
Energy: 0.4508150185691428
Energy: 0.2670754089183678
Energy: 0.2469024927872256
Energy: 0.3574871354484632
Energy: 0.296431099729999
Energy: 0.32469510648938554
Energy: 0.5771168439799245
Energy: 0.1719579304057079
Energy: 0.3495320179962449
Energy: 0.3783567293334786
Energy: 0.14283474882169597
Energy: 0.3410909120119198
Energy: 0.47279161674986175
Energy: 0.4325683753603214
Energy: 0.39187730286362754
Energy: 0.259101900964626
Energy: 0.4303231126083631
Energy: 0.3843696222155587
Energy: 0.6148447253615871
Energy: 0.3729594915105718
Energy: 0.4692506299020927
Energy: 0.5215233752492314
Energy: 0.24782753179935302
Energy: 0.4695487433677245
Energy: 0.5732168662349914
Energy: 0.27249658140680333
Energy: 0.2969005686424264
Energy: 0.45378624721391
Energy: 0.46453237042747614
Energy: 0.28215366184662377
Energy: 0.3781666069036163
Energy: 0.23265068699027955
Energy: 0.25468609882428767
Energy: 0.15712009736155166
Energy: 0.13924777434397012
Energy: 0.3060740749200549
Energy: 0.6946405410073982
Energy: 0.31315239889801516
Energy: 0.27396773467830393
Energy: 0.6809336925124513
Energy: 0.2856315659465612
Energy: 0.29794485469169407
Energy: 0.5230083980521452
Energy: 0.19197126070584647
Energy: 0.18157267579241745
Energy: 0.18587118548793483
Energy: 0.2025334728949072
Energy: 0.2927575595265136
Energy: 0.42895119796894693
Energy: 0.23235253881383108
Energy: 0.22804467858636684
Energy: 0.22118638224592585
Energy: 0.17744400639388797
Energy: 0.20643398451571582
Energy: 0.540717188130397
Energy: 0.40222333942638794
Energy: 0.41342441236957433
Energy: 0.2735646583382721
Energy: 0.4396328065557579
Energy: 0.3616537533089274
Energy: 0.5431800540920638
Energy: 0.4306309563839489
Energy: 0.3784673613683639
Energy: 0.3129844433380239
Energy: 0.436839005950877
Energy: 0.36055632384342506
Energy: 0.5610296832875522
Energy: 0.33458361671954945
Energy: 0.3387198723356871
Energy: 0.4599218632628827
Energy: 0.30473314591903394
Energy: 0.30121084030013845
Energy: 0.4430936740068584
Energy: 0.3158781610030514
Energy: 0.32954603038238267
Energy: 0.307938836721431
Energy: 0.32718654523222146
Energy: 0.32550114371552674
Energy: 0.8789552585077834
Energy: 0.33913879618126236
Energy: 0.2930997836350361
Energy: 0.4607128522880938
Energy: 0.3994850956596702
Energy: 0.2905194030965544
Energy: 0.617267525679697
Energy: 0.43123162722981
Energy: 0.47701564105778144
Energy: 0.5007704680981344
Energy: 0.5085523463090272
Energy: 0.45769215040715655

minimum gb energy = 0.12231049799653519 eV
minimum distance =  2.37448173632819 Angstroms
sigma value = 17


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

Energy: 1.487837318008797
Energy: 0.4514451380031898
Energy: 0.2699007520118227
Energy: 0.23801103074953958
Energy: 0.26229364736585525
Energy: 0.2983424126058956
Energy: 0.44024677145152824
Energy: 0.2575391712527685
Energy: 0.18224593738900383
Energy: 0.4462159662705698
Energy: 0.3879536952264125
Energy: 0.27829145783066794
Energy: 0.6538954466864599
Energy: 0.1804983302313828
Energy: 0.20541193176020547
Energy: 0.4665433150109585
Energy: 0.11610766911947237
Energy: 0.2073645775814959
Energy: 0.4628103158683004
Energy: 0.153282470876181
Energy: 0.1874724839888461
Energy: 0.4012722650627828
Energy: 0.22123732023523163
Energy: 0.27117434325458206
Energy: 0.6060617736159232
Energy: 0.2347070246804919
Energy: 0.25689854341538526
Energy: 0.36069503985905665
Energy: 0.2429870137541539
Energy: 0.24861061977355645
Energy: 0.5287003886274976
Energy: 0.2619450291861117
Energy: 0.2845109151985968
Energy: 0.17026153647016606
Energy: 0.27735168897683415
Energy: 0.18719699164629583
Energy: 0.4770604424678105
Energy: 0.20299863193898107
Energy: 0.3860137186179752
Energy: 0.2256468879133198
Energy: 0.3683216553797676
Energy: 0.2255446056610806
Energy: 0.579339411869035
Energy: 0.20086827362084875
Energy: 0.31428581494792457
Energy: 0.22830971743200662
Energy: 0.1903500768422137
Energy: 0.2030623782423545
Energy: 0.6581631509325566
Energy: 0.20414347514875045
Energy: 0.22250988351626208
Energy: 0.3712535600085337
Energy: 0.19692857120927706
Energy: 0.23873079190142035
Energy: 0.47849451874528526
Energy: 0.18710333075565558
Energy: 0.1200240413684774
Energy: 0.37110510861202756
Energy: 0.1716428083455178
Energy: 0.1878423561441101
Energy: 0.47884951553433014
Energy: 0.23365346483051622
Energy: 0.243314197225178
Energy: 0.24699658282103976
Energy: 0.1979824209959477
Energy: 0.2633347142387867
Energy: 0.41169380670096195
Energy: 0.39745672261683984
Energy: 0.26068191864241025
Energy: 0.1292773195308886
Energy: 0.6349683596513584
Energy: 0.24269051639074674
Energy: 0.4113210076948774
Energy: 0.32736773304417144
Energy: 0.36026922489731084
Energy: 0.14471585928656813
Energy: 0.28392384374546015
Energy: 0.34481243380518334
Energy: 0.5353532622520711
Energy: 0.3831708584303955
Energy: 0.2320495988212699
Energy: 0.43298224482612013
Energy: 0.431867492938269
Energy: 0.3021777227861424
Energy: 0.6726338070141554
Energy: 0.31662240205372383
Energy: 0.29271332771459835
Energy: 0.3595125865787369
Energy: 0.27601395457170586
Energy: 0.27182764603294257
Energy: 0.5362133031723333
Energy: 0.23693191289622278
Energy: 0.29442186964918754
Energy: 0.4155082171025134
Energy: 0.3326222354317746
Energy: 0.23035797485444443
Energy: 0.37682062238420133
Energy: 0.3305887483113105
Energy: 0.4050129013422933
Energy: 0.11094118838336474
Energy: 0.36992145087500355
Energy: 0.30015534560087204

minimum gb energy = 0.11094118838336474 eV
minimum distance =  2.358617299028 Angstroms
sigma value = 17


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

Energy: 0.3513809616597852
Energy: 0.36170108325765726
Energy: 0.1456775088851123
Energy: 0.17283180025449243
Energy: 0.42243413072160446
Energy: 0.19856029747493514
Energy: 0.4863871366871527
Energy: 0.20373435825910635
Energy: 0.2283662359842934
Energy: 0.42502628307477025
Energy: 0.3753683811107538
Energy: 0.21303037080890705
Energy: 0.4987375126752554
Energy: 0.18019483047249976
Energy: 0.18993680739376675
Energy: 0.40830090353041054
Energy: 0.21225249411238442
Energy: 0.21673243472307346
Energy: 0.4395086854529426
Energy: 0.3309290501663972
Energy: 0.4254585372572229
Energy: 0.4545843674181286
Energy: 0.2284101570037687
Energy: 0.29340113232069714
Energy: 0.5236552556607662
Energy: 0.2475079691751465
Energy: 0.24425624570336468
Energy: 0.3787442346395106
Energy: 0.2757174408633348
Energy: 0.23189903905867582
Energy: 0.650762617627566
Energy: 0.21347918653059483
Energy: 0.2007863023750446
Energy: 0.16500891382534988
Energy: 0.34756485785371083
Energy: 0.16658780532646836
Energy: 0.4933200922344047
Energy: 0.48734937688596514
Energy: 0.39586653692262097
Energy: 0.259228456327208
Energy: 0.5162084125125062
Energy: 0.2747446935824647
Energy: 0.4911282028119654
Energy: 0.18341584150532445
Energy: 0.27717671328029286
Energy: 0.288830364303344
Energy: 0.19677297421767237
Energy: 0.278617658442812
Energy: 0.5833768954729552
Energy: 0.2659864452053565
Energy: 0.323561932728736
Energy: 0.5306497183499418
Energy: 0.22111541799589943
Energy: 0.3192587561951204
Energy: 0.5511828739104786
Energy: 0.21539585851013085
Energy: 0.23482068748292442
Energy: 0.2590988706682225
Energy: 0.2255948449952193
Energy: 0.20541365374674941
Energy: 0.516756992702821
Energy: 0.2172950251006493
Energy: 0.19687747588234417
Energy: 0.1992803380289528
Energy: 0.21316307528996106
Energy: 0.21967931925883658
Energy: 0.7182736591792864
Energy: 0.34437033443302045
Energy: 0.21461274724916604
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Energy: 0.301543581078636
Energy: 0.23080845817787374
Energy: 0.5644898106222234
Energy: 0.33488361478762063
Energy: 0.3132180048341548
Energy: 0.2586815005248941
Energy: 0.21649247473860736
Energy: 0.23506155845718285
Energy: 0.5407538723278804
Energy: 0.19253165621882962
Energy: 0.193878046386054
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Energy: 0.22263629163272608
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Energy: 0.16643786261569746
Energy: 0.21972408015900186
Energy: 0.19581853593580933
Energy: 0.18914693965993595
Energy: 0.2581819423128923
Energy: 0.49099896824716016
Energy: 0.2212519751115195
Energy: 0.25033533773623484
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Energy: 0.21988416967106844
Energy: 0.38102394805340295
Energy: 0.35644311474532825
Energy: 0.410177606998153
Energy: 0.1835596467530703
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Energy: 0.14870862802896273
Energy: 0.4839140575448463
Energy: 0.3094405527905012
Energy: 0.3069660431187755
Energy: 0.20510853122365313
Energy: 0.35085554419818404
Energy: 0.3296469442033272
Energy: 0.5137031115288834
Energy: 0.21049191002926668
Energy: 0.22294309303340476
Energy: 0.3587723963556482
Energy: 0.20504279367559525
Energy: 0.21742315246181587
Energy: 0.8016007252385853
Energy: 0.1326896064313813
Energy: 0.2306895663331058
Energy: 0.458238766131968
Energy: 0.07537729512440101
Energy: 0.3241522591285232
Energy: 0.5252573389414129
Energy: 0.3052080710859021
Energy: 0.2220130820951981
Energy: 0.3589877617339708
Energy: 0.3121676752223816
Energy: 0.22839375287720237
Energy: 0.380711925743371
Energy: 0.3877677522576706
Energy: 0.3576003701110191
Energy: 0.1252603403619335
Energy: 0.3283312938238366
Energy: 0.09530063089230319
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Energy: 0.19346803085959532
Energy: 0.22322957795979165
Energy: 0.20894262308923392
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Energy: 0.3096992003428902
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Energy: 0.22869446431959575
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Energy: 0.21427868495454977
Energy: 0.24491853341116596
Energy: 0.4411193840493767
Energy: 0.1610790313616334
Energy: 0.18234160994877158
Energy: 0.5008744910809594
Energy: 0.16346895131762113
Energy: 0.14281065740718749
Energy: 0.6219335997430664
Energy: 0.2598376178846134
Energy: 0.2671865155448565
Energy: 0.3032826074150302
Energy: 0.2644541127891704
Energy: 0.22556179622601102
Energy: 0.6652851316379615
Energy: 0.3057048703511173
Energy: 0.321893177637533
Energy: 0.1373227414392069
Energy: 0.22267080415276472
Energy: 0.25251889331092037
Energy: 0.5105594913915531
Energy: 0.4556729613870985
Energy: 0.2184603623155877
Energy: 0.2014764838725495
Energy: 0.4919220202131087
Energy: 0.34898495445772326
Energy: 0.7456710100596035
Energy: 0.23550265016055655
Energy: 0.17578076148905092
Energy: 0.196422012849976
Energy: 0.210502272610238
Energy: 0.2085719059563581
Energy: 0.5154322277933283
Energy: 0.17646212245544918
Energy: 0.2473035710284743
Energy: 0.37933747452505534
Energy: 0.1732127432828091
Energy: 0.23639233393605213
Energy: 0.5469294551300468
Energy: 0.24646699785348025
Energy: 0.24053930170750365
Energy: 0.5250532337096392
Energy: 0.20865410418732058
Energy: 0.23388117776817033
Energy: 0.5049684465629376
Energy: 0.21394351728254707
Energy: 0.2170582640549313
Energy: 0.20362595302803826
Energy: 0.19220368691802447
Energy: 0.21165405856473654
Energy: 0.5813865988839555
Energy: 0.5375586754826532
Energy: 0.5423920705814821
Energy: 0.1998870165288623
Energy: 0.5387435433584595
Energy: 0.2328964660103315
Energy: 0.5178835943041031
Energy: 0.24395376363420482
Energy: 0.23871352327901238
Energy: 0.24630732995353877
Energy: 0.23644856742047413
Energy: 0.24689107679025316
Energy: 0.5598303442224557
Energy: 0.24950821903832687
Energy: 0.20407689421607297
Energy: 0.5541724322422016
Energy: 0.29492416762450163
Energy: 0.23023255044392607
Energy: 0.5298121510972186
Energy: 0.1623081874243143
Energy: 0.29446599227114223
Energy: 0.3325712587981697
Energy: 0.17863234743719725
Energy: 0.33785901358829046
Energy: 0.7692950659242946
Energy: 0.20561281471182516
Energy: 0.19152300150225965
Energy: 0.22486618209382173
Energy: 0.19815796350067189
Energy: 0.20420025052722163
Energy: 0.4411024389070787
Energy: 0.19178393082464226
Energy: 0.19449453094828745
Energy: 0.21563885327152443
Energy: 0.47541700056029534
Energy: 0.20799887009577914
Energy: 0.5164186284404718
Energy: 0.2867514665141053
Energy: 0.24748796946509477
Energy: 0.134475070517403
Energy: 0.3105888385903892
Energy: 0.24529585998219752
Energy: 0.4943977599339195
Energy: 0.30277171062265174
Energy: 0.20123663029816957
Energy: 0.21158260096052625
Energy: 0.273420788777799
Energy: 0.2295788527359193
Energy: 0.4594836776069918
Energy: 0.15379643040526966
Energy: 0.21066754577561897
Energy: 0.42395310011608833
Energy: 0.10131603325638766
Energy: 0.2636931726946903
Energy: 0.5301640016221867
Energy: 0.17788123757276822
Energy: 0.17827541049106438
Energy: 0.38665279365138433
Energy: 0.2760775568291935
Energy: 0.2355678568604042
Energy: 0.33763251809879785
Energy: 0.32302483689858275
Energy: 0.2678988248446351
Energy: 0.12881231948567173
Energy: 0.3793664329802753
Energy: 0.27524513995893046

minimum gb energy = 0.07537729512440101 eV
minimum distance =  2.35261386569141 Angstroms
sigma value = 57


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

Energy: 0.49615014418365294
Energy: 0.3220894215921469
Energy: 0.14651861877764624
Energy: 0.1318443432861088
Energy: 0.5614725284362058
Energy: 0.14562538160021152
Energy: 0.4158587495655864
Energy: 0.2631285817648608
Energy: 0.2946325118129855
Energy: 0.37664584995823475
Energy: 0.367144425059673
Energy: 0.26374171106527533
Energy: 0.5598981151945668
Energy: 0.17588843592141404
Energy: 0.27843991414550745
Energy: 0.3416740450719185
Energy: 0.13765857992294595
Energy: 0.15437087276864733
Energy: 0.4067207922571888
Energy: 0.31604975381753986
Energy: 0.16149136106986864
Energy: 0.3741347667572683
Energy: 0.24332864642398666
Energy: 0.16017104599488596
Energy: 0.5133111936808353
Energy: 0.22168816658961768
Energy: 0.2244208121480907
Energy: 0.31457338552004815
Energy: 0.20259996359480056
Energy: 0.20038880592259456
Energy: 0.5225821458355453
Energy: 0.16372265503676417
Energy: 0.15492454502794553
Energy: 0.19804343377980424
Energy: 0.3972813773853101
Energy: 0.15845614503953315
Energy: 0.4338377587864402
Energy: 0.4970498398998564
Energy: 0.1762970418005271
Energy: 0.2289940607489657
Energy: 0.45792804763243683
Energy: 0.21895247961786013
Energy: 0.439805903404059
Energy: 0.24800126367255804
Energy: 0.17008979097960417
Energy: 0.2828860668078027
Energy: 0.20428191621203204
Energy: 0.26272056352086975
Energy: 0.452561893519715
Energy: 0.2973789667241909
Energy: 0.380844362554987
Energy: 0.4409326201248291
Energy: 0.18612258014876848
Energy: 0.40790308289613353
Energy: 0.4660927863922037
Energy: 0.21709811685572208
Energy: 0.2587702161544475
Energy: 0.3484598235378622
Energy: 0.20050290683904115
Energy: 0.2181963260296591
Energy: 0.4587666015988888
Energy: 0.22367938662352943
Energy: 0.2324065643197702
Energy: 0.14978956605470087
Energy: 0.342750726522144
Energy: 0.18264507681085376
Energy: 0.6157230350097117
Energy: 0.4763610768921062
Energy: 0.29328670522926475
Energy: 0.15177872371860876
Energy: 0.4475544232930124
Energy: 0.22761622610140372
Energy: 0.46982932667678423
Energy: 0.2600287621518776
Energy: 0.25070199095697887
Energy: 0.19241399214930227
Energy: 0.2703912635248492
Energy: 0.2613243978438984
Energy: 0.49875183314259774
Energy: 0.21371356514356513
Energy: 0.2143894336881671
Energy: 0.48272040572553643
Energy: 0.1699550260669585
Energy: 0.3599802453994015
Energy: 0.46029135235404606
Energy: 0.1638963742778738
Energy: 0.18288047477468022
Energy: 0.19262552903985647
Energy: 0.1722983559444242
Energy: 0.2022806044772057
Energy: 0.4505625232061542
Energy: 0.3277466328045477
Energy: 0.20183798570471112
Energy: 0.22856314633072836
Energy: 0.42112720247411184
Energy: 0.1958585184607139
Energy: 0.4355564666018004
Energy: 0.2866135181890272
Energy: 0.17282737909906215
Energy: 0.1608370228003942
Energy: 0.2720952728639078
Energy: 0.16210863497295985
Energy: 0.6138000783147238
Energy: 0.2889720105132323
Energy: 0.24323338904226294
Energy: 0.22154507352435526
Energy: 0.2356861617454036
Energy: 0.20037561229926812
Energy: 0.48193148960548227
Energy: 0.19815670191596327
Energy: 0.2017828271133793
Energy: 0.4500036128693314
Energy: 0.1970457943407273
Energy: 0.26370584635381294
Energy: 0.44862420958512217
Energy: 0.22400337391384537
Energy: 0.21223551646843095
Energy: 0.19413082438995788
Energy: 0.13079096462541187
Energy: 0.2240951890895673
Energy: 0.4399971333902837
Energy: 0.3129653661139683
Energy: 0.1508765547432334
Energy: 0.1945209689414316
Energy: 0.35743287671119867
Energy: 0.19398318733487385
Energy: 0.61238832771802
Energy: 0.23109919689505165
Energy: 0.12155241232525325
Energy: 0.17640397831189564
Energy: 0.37916279751351173
Energy: 0.15788057494025148
Energy: 0.6099008386707966
Energy: 0.19602923109100917
Energy: 0.2219123051404705
Energy: 0.2501642503753905
Energy: 0.21303106815281583
Energy: 0.20888720191718316
Energy: 0.4710683479214772
Energy: 0.2736759482943717
Energy: 0.2280198746206768
Energy: 0.36738757139020856
Energy: 0.15642914205788372
Energy: 0.24849942272431924
Energy: 0.5389606587729324
Energy: 0.11055013037369274
Energy: 0.12952379865620847
Energy: 0.3179636957358729
Energy: 0.18815846465477626
Energy: 0.32740936358445033
Energy: 0.4537413247759155
Energy: 0.21822717012873538
Energy: 0.2474665984327717
Energy: 0.3732096414088727
Energy: 0.29291216522021996
Energy: 0.19422791048514607
Energy: 0.3163441839214863
Energy: 0.2854576855359746
Energy: 0.14286481904606377
Energy: 0.08949401801173548
Energy: 0.2566442922252386
Energy: 0.15272106667394622

minimum gb energy = 0.08949401801173548 eV
minimum distance =  2.36590727608503 Angstroms
sigma value = 43


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

Energy: 0.1864327450059882
Energy: 0.13420883196488892
Energy: 0.017598935373795737
Energy: 0.11364463964131305
Energy: 0.19761264867816147
Energy: -0.0023816575716693405
Energy: 0.4389584437787623
Energy: 0.0057111523883017845
Energy: 0.0593735462716165
Energy: 0.027648876706142786
Energy: -0.0407332939565008
Energy: 0.06481474221060667
Energy: 0.3963100031290589
Energy: 0.07684589060017626
Energy: 0.10024242264802741
Energy: 0.06190508214460136
Energy: 0.03806490728307377
Energy: 0.054812195672495415
Energy: 0.3175561208274295
Energy: 0.14030732035198282
Energy: 0.13985178081400115
Energy: 0.17558680083404857
Energy: 0.08346571322032466
Energy: -0.015474810484033352
Energy: 0.29757191036404224
Energy: 0.09553143472090497
Energy: 0.08231796229192856
Energy: -0.034952700685498
Energy: -0.028754183063339833
Energy: 0.17746586411534235
Energy: 0.26041519417976816
Energy: -0.012354778076739114
Energy: -0.042442943964368963
Energy: 0.04935282622487524
Energy: 0.011573996722559146
Energy: -0.02757613626626439
Energy: 0.27137935581064565
Energy: 0.20248788617070135
Energy: 0.09178396949430039
Energy: 0.02755005209321699
Energy: 0.30734857258505704
Energy: 0.05060361535831672
Energy: 0.49470867229318327
Energy: 0.1152858735408095
Energy: 0.040449536851874066
Energy: 0.05668279128621172
Energy: 0.029973718559779327
Energy: 0.019160422721950187
Energy: 0.38876794244184393
Energy: 0.20092683804267272
Energy: 0.21905832200762088
Energy: 0.2859390916160687
Energy: 0.0688428081789021
Energy: 0.2415195840139785
Energy: 0.40420184473301235
Energy: 0.12478438421606103
Energy: 0.09625362885887123
Energy: 0.20249998309588293
Energy: 0.11503716338747406
Energy: 0.13289002006935094
Energy: 0.29770997687402023
Energy: 0.08321037933482037
Energy: 0.08170155514587095
Energy: 0.06050968478102721
Energy: 0.2750911860166299
Energy: 0.039951164472596
Energy: 0.3088324934580979
Energy: 0.30816218822629865
Energy: 0.2945931038095419
Energy: 0.16370034131710268
Energy: 0.3555000719361803
Energy: 0.15062788809911096
Energy: 0.5059132099122755
Energy: 0.1570204232838773
Energy: 0.1448019936727539
Energy: 0.08680732990314867
Energy: 0.10626213995064415
Energy: 0.1683425148508654
Energy: 0.36004880131762695
Energy: 0.18416877122052477
Energy: 0.1989574135396334
Energy: 0.3553023632036822
Energy: 0.11208926334989538
Energy: 0.27670304491731973
Energy: 0.37587595902721815
Energy: 0.17191348513207028
Energy: 0.10525478566272645
Energy: 0.2599374299861957
Energy: 0.17653955192903367
Energy: 0.12053448197207013
Energy: 0.43139242172090014
Energy: 0.22395737961016424
Energy: 0.1503400637926698
Energy: 0.059479179421585725
Energy: 0.35095123338544454
Energy: 0.10858414639888288
Energy: 0.5075856183399454
Energy: 0.27467904046014757
Energy: 0.19589287741374375
Energy: 0.1129519411563011
Energy: 0.3398654725684608
Energy: 0.12178931938554234
Energy: 0.3833269068603962
Energy: 0.16179998496409226
Energy: 0.17108104378103517
Energy: 0.17814545229636772
Energy: 0.1522702726985293
Energy: 0.1413369727791812
Energy: 0.39111050674273334
Energy: 0.19844888421465298
Energy: 0.19698683649753662
Energy: 0.4033601330134173
Energy: 0.12036354065408729
Energy: 0.22232368548906065
Energy: 0.3807510534468781
Energy: 0.14834912455574786
Energy: 0.16682096740905855
Energy: 0.08311958516713343
Energy: 0.16120080339739784
Energy: 0.11599510379032926
Energy: 0.5147473380465419
Energy: 0.2903192880743686
Energy: 0.184731095543844
Energy: 0.11022635007299238
Energy: 0.3493475462609891
Energy: 0.10732445919628644
Energy: 0.42995772288885314
Energy: 0.21360952389246093
Energy: 0.13534112030483003
Energy: 0.05371189625497077
Energy: 0.34371052643926564
Energy: 0.08823391367429236
Energy: 0.36834643124826816
Energy: 0.17169832207769054
Energy: 0.13577166164417884
Energy: 0.254514562278973
Energy: 0.1378763405574414
Energy: 0.12398554815526339
Energy: 0.37997692556779933
Energy: 0.16553744118704497
Energy: 0.2148085830748729
Energy: 0.3566044633384625
Energy: 0.09803261967776825
Energy: 0.2229255310286281
Energy: 0.5818798662274626
Energy: 0.14905909578927642
Energy: 0.11926637555551163
Energy: 0.10758014361164434
Energy: 0.0490023281301063
Energy: 0.1319354286191674
Energy: 0.5058987709272224
Energy: 0.154121960056906
Energy: 0.30508984073653667
Energy: 0.10646389421265631
Energy: 0.35493476386943584
Energy: 0.13732141061284925
Energy: 0.2773894432341401
Energy: 0.1637432238980959
Energy: 0.06346412769322456
Energy: 0.009739479772537777
Energy: 0.31651958955149617
Energy: 0.004024018510626316
Energy: 0.5544884491089465
Energy: 0.17693098909413676
Energy: 0.09325738382930089
Energy: 0.028484818032179962
Energy: 0.11211777897386169
Energy: 0.10465509064052152
Energy: 0.2621420237472722
Energy: 0.17213576802910094
Energy: 0.11565493621542718
Energy: 0.24833276863734768
Energy: 0.05235665696210693
Energy: 0.09196320499080225
Energy: 0.5101867104256151
Energy: 0.0776953151494576
Energy: 0.07935011730471114
Energy: 0.04828202988418523
Energy: 0.032516470837364836
Energy: 0.04840207589764399
Energy: 0.36831640421113304
Energy: 0.06994051934541475
Energy: 0.1614530699063552
Energy: 0.010418652823836985
Energy: 0.13572912530571132
Energy: -0.022246959185435303
Energy: 0.23116300294613124
Energy: 0.00952203193512846
Energy: -0.007498962575422378
Energy: 0.018936744967674946
Energy: 0.050699197281165696
Energy: -0.033139035161141195
Energy: 0.2908066243499143
Energy: 0.0294499152355123
Energy: 0.001192300344131755
Energy: 0.004670720125567283
Energy: -0.018892572981320774
Energy: 0.08648886277289698
Energy: 0.4531127122526855
Energy: 0.06050172718379207
Energy: 0.12582675400369497
Energy: 0.051905372062308434
Energy: 0.10439446987323757
Energy: 0.02516252620699864
Energy: 0.3872145841983894
Energy: 0.05411888933280553
Energy: 0.020547943683114668
Energy: 0.07790052850490758
Energy: 0.03131692997578768
Energy: 0.035747300386653066
Energy: 0.44061993177931524
Energy: 0.025148663653791956
Energy: 0.051421098430794586
Energy: 0.017401604018949822
Energy: -0.019483215142545647
Energy: 0.049724528333270464

minimum gb energy = -0.042442943964368963 eV
minimum distance =  2.3407078759599 Angstroms
sigma value = 81


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

Energy: 0.2946065374134986
Energy: 0.2519671242099117
Energy: -0.0861897810151008
Energy: -0.056603475217785054
Energy: 0.45566652918933487
Energy: 0.27090445657657797
Energy: 0.2874849574264062
Energy: 0.3565761543678045
Energy: 0.5169760868696472
Energy: 0.5674968889536517
Energy: 0.35442085494175973
Energy: 0.49902295169040395
Energy: 0.6379608874127769
Energy: -0.0582520530691092
Energy: -0.0323034783012841
Energy: 0.6471326519227015
Energy: -0.06896543860369515
Energy: 0.02085959446972542
Energy: 0.6409592453801172
Energy: -0.08879438238745037
Energy: -0.07417740770078206
Energy: 0.5587948821294806
Energy: -0.08554619925500317
Energy: -0.0668260216880614
Energy: -0.061541002141621594
Energy: 0.4505043871086851
Energy: 0.5758891734833701
Energy: -0.0805577086498337
Energy: 0.5053095887165838
Energy: 0.4589028836083017
Energy: -0.04737224075076963
Energy: 0.5308816462654293
Energy: -0.06888030626858602
Energy: -0.04403363868720978
Energy: 0.6465828184786311
Energy: -0.08184018428395745
Energy: 0.650801073754796
Energy: 0.44463468506169107
Energy: 0.5772293064355131
Energy: 0.39951040990638914
Energy: 0.5418153081028542
Energy: 0.4854446198778813
Energy: 0.6566429992763514
Energy: -0.07118631839993504
Energy: -0.07435457241953491
Energy: 0.6008862863453645
Energy: -0.05833399831615204
Energy: 0.013510771777656966
Energy: 0.6248673950051629
Energy: -0.09998729445951755
Energy: -0.07106066937548465
Energy: 0.6622922728307781
Energy: -0.04924575206191905
Energy: -0.07676155256317281
Energy: 0.25261822580263454
Energy: 0.33653462660370087
Energy: 0.39720396895454346
Energy: -0.08927709895686829
Energy: 0.4907883620761837
Energy: 0.47283175662711846

minimum gb energy = -0.09998729445951755 eV
minimum distance =  2.32418508203513 Angstroms
sigma value = 3


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

Energy: -0.008282550534970458
Energy: 0.06807654656214711
Energy: 0.024646938253740994
Energy: -0.0512943193266315
Energy: 0.047320557372070284
Energy: -0.035840104828746895
Energy: 0.20817228226994808
Energy: 0.049159455047452644
Energy: 0.05521074795863418
Energy: 0.03491210330872533
Energy: 0.03647709190177341
Energy: 0.052954565945927824
Energy: 0.2056182227250778
Energy: -0.010181136510764622
Energy: 0.0032653107684593287
Energy: 0.16656501210766686
Energy: 0.10305912625521821
Energy: 0.04734531745395934
Energy: 0.15030675980009248
Energy: 0.03173571802178979
Energy: -0.010822575580063677
Energy: 0.12385349936355058
Energy: 0.04909979793392731
Energy: 0.044520716742228954
Energy: 0.16361527664438416
Energy: 0.06171969652534248
Energy: 0.05521536285576986
Energy: 0.17433116188364742
Energy: 0.0472449817728748
Energy: 0.05166660139223875
Energy: 0.0923140257787562
Energy: 0.08292825041676695
Energy: 0.05770670392347858
Energy: 0.06342561288918239
Energy: 0.1074149256502182
Energy: 0.003731713211253045
Energy: 0.22069097895884632
Energy: 0.06076108345587601
Energy: 0.05524400134636263
Energy: 0.21839312171431427
Energy: 0.12995882808098416
Energy: 0.050160435940645655
Energy: 0.23735787479398537
Energy: 0.03452706800841021
Energy: 0.06359399041642347
Energy: 0.1703274789743433
Energy: 0.08319191426048489
Energy: 0.6483284536611877
Energy: 0.11570888552287906
Energy: 0.12299086237875574
Energy: 0.04369503630920575
Energy: 0.09157421427547444
Energy: 0.1418692621269902
Energy: 0.09368280415258459
Energy: 0.1672762587116982
Energy: 0.09144001821941612
Energy: 0.09417067002490849
Energy: 0.18623247382723315
Energy: 0.09778240614229003
Energy: 0.092480279845677
Energy: 0.13072141698591971
Energy: 0.11141087887836902
Energy: 0.11286251449603209
Energy: 0.08181005132240185
Energy: 0.10203772115636986
Energy: 0.061877590937407884
Energy: 0.2237945234139395
Energy: 0.10697048794522618
Energy: 0.10055546706981705
Energy: 0.09777834129306888
Energy: 0.10622265864657843
Energy: 0.08005993996254862
Energy: 0.18298505139341523
Energy: 0.04701096653485148
Energy: 0.12098186037514026
Energy: 0.16683204136072835
Energy: 0.035749177781858696
Energy: 0.11369097935875615
Energy: 0.15373075248498738
Energy: 0.12431190769609118
Energy: 0.12961578052274217
Energy: 0.10810121929941972
Energy: -0.17378589056021834
Energy: 0.11338643321371575
Energy: 0.15139426168560616
Energy: 0.10087282835239085
Energy: 0.10174164342214359
Energy: 0.15512337198988105
Energy: 0.10262226779044317
Energy: 0.10405638825802883
Energy: 0.172997939238992
Energy: 0.1178386758248351
Energy: 0.12301386445224086
Energy: 0.15822911867354658
Energy: 0.1368966766467797
Energy: 0.12683512193047955
Energy: 0.1243364072031115
Energy: 0.12234949074801618
Energy: 0.10598544305554188
Energy: 0.11819787334171782
Energy: 0.11551914603227363
Energy: 0.07923055619267294
Energy: 0.16976615861295746
Energy: 0.09388837241966218
Energy: 0.11812993100147409
Energy: 0.22505891962134428
Energy: 0.1629533012571424
Energy: 0.15555369163012445
Energy: 0.16535079992206633
Energy: 0.10654087489394273
Energy: 0.09899031053312851
Energy: 0.08760644470560464
Energy: 0.14435923840595635
Energy: 0.11149732979745602
Energy: 0.15536978709053126
Energy: 0.10358047784031857
Energy: 0.08955920325385147
Energy: 0.1313443814590237
Energy: 0.10152827658066885
Energy: 0.08840587672205366
Energy: 0.15999241078324472
Energy: 0.10757592447670422
Energy: 0.12418128175901272
Energy: 0.10587294306065732
Energy: 0.10222210946097421
Energy: 0.12535893249322616
Energy: 0.12349434428633843
Energy: 0.11862714860620283
Energy: 0.11111713998005383
Energy: 0.10226589163895056
Energy: 0.10852135399848677
Energy: 0.08242285282678044
Energy: 0.2691185955985905
Energy: 0.11834216102726906
Energy: 0.12440559082690934
Energy: 0.22280363559720825
Energy: 0.13396952776574253
Energy: 0.12861527989074523
Energy: 0.14559925820166356
Energy: 0.08532939693607315
Energy: 0.08362753848118737
Energy: 0.19890866146105238
Energy: 0.21319191068472684
Energy: 0.0927795952450867
Energy: 0.14875536416237808
Energy: 0.10466642328380482
Energy: 0.09435607025090222
Energy: 0.09936458187030572
Energy: 0.13837810680952486
Energy: 0.09177301260451695
Energy: 0.15030024930055902
Energy: 0.04906637359115595
Energy: 0.09421550528221809
Energy: 0.11848607726386715
Energy: 0.14581296116248024
Energy: 0.10705378355191378
Energy: 0.15905371984088953
Energy: 0.06769099285216562
Energy: 0.07294846709806856
Energy: 0.17431693548517055
Energy: 0.13453897860479525
Energy: 0.1037821733326517
Energy: 0.18631703988990142
Energy: 0.07159523153242126
Energy: 0.13986368101870006
Energy: 0.23231874330526406
Energy: 0.14068946033534452
Energy: 0.0802517637998636
Energy: 0.10419757308597642
Energy: 0.15161324346776064
Energy: 0.06907333056892857
Energy: 0.14823685359312355
Energy: 0.14476807660518207
Energy: 0.07269149199634585
Energy: 0.21220822280059048
Energy: 0.08170506954819472
Energy: 0.04854013620357619
Energy: 0.2159830361113919
Energy: 0.06873373211547416
Energy: 0.039380617005839544
Energy: 0.079698050044438
Energy: 0.045884799076247935
Energy: 0.03180711684781616
Energy: 0.09996571530896897
Energy: -0.03227053524370674
Energy: 0.040347930004790665
Energy: 0.18142560975443361
Energy: 0.08843866704291409
Energy: 0.06796161347663562
Energy: 0.09706140719372296
Energy: 0.15179017652643528
Energy: 0.05740369839090574
Energy: 0.1523337623707723
Energy: 0.07645544859442602
Energy: 0.08988462113697644
Energy: 0.07562147114166107
Energy: 0.08566517072758432
Energy: 0.04142784725694344

minimum gb energy = -0.17378589056021834 eV
minimum distance =  2.34726539816878 Angstroms
sigma value = 67


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

Energy: 0.2756847625663123
Energy: 0.061821386107403786
Energy: 0.07716782183228785
Energy: 0.032357542458222935
Energy: 0.43180235689908475
Energy: 0.07375153280512575
Energy: 0.3741472428213463
Energy: 0.21881894439870164
Energy: 0.08337066750949362
Energy: 0.22652920361761697
Energy: 0.24004688409120498
Energy: 0.09139894967903847
Energy: 0.25164265996526425
Energy: 0.03145718802353787
Energy: 0.050868154222840085
Energy: 0.2314206820516028
Energy: 0.2655109690347196
Energy: 0.06515312384044747
Energy: 0.23715438737863556
Energy: 0.05610943752184214
Energy: 0.05621265942776258
Energy: 0.40288497205054796
Energy: -0.0003866369812001668
Energy: 0.10845330419283804
Energy: 0.3909786194270228
Energy: 0.07078579036627862
Energy: 0.06784846038725306
Energy: 0.23068712650693443
Energy: 0.07608006956123407
Energy: 0.08989823744683534
Energy: 0.27836975654357626
Energy: 0.11101027466291498
Energy: 0.0876643756278587
Energy: 0.09602874743466688
Energy: 0.11773521245247913
Energy: 0.0912084770945103
Energy: 0.39689338982996
Energy: 0.11973608325164181
Energy: 0.09339509495693972
Energy: 0.39087971566238805
Energy: 0.10599785775481482
Energy: 0.10683280876912539
Energy: 0.40229742463254714
Energy: 0.13536548286956837
Energy: 0.1269326968206341
Energy: 0.384602058983808
Energy: 0.09709884370263977
Energy: 0.18097206955364384
Energy: 0.16916933063189982
Energy: 0.12568152717965234
Energy: 0.1463798779357541
Energy: 0.14956854442652934
Energy: 0.42176031795787805
Energy: 0.16932977171714153
Energy: 0.1883657547506693
Energy: 0.18299950806893503
Energy: 0.18045595416933072
Energy: 0.18717861451959303
Energy: 0.17401889445358176
Energy: 0.18432822630076995
Energy: 0.3596304418073331
Energy: 0.17900818171138053
Energy: 0.17683666032153988
Energy: 0.31978760556072106
Energy: 0.2269228263526176
Energy: 0.17047092445012524
Energy: 0.38932731788827585
Energy: 0.18190100580171056
Energy: 0.1878668654614705
Energy: 0.3875250339662016
Energy: 0.18424694244652307
Energy: 0.21764726591548933
Energy: 0.24019186402683068
Energy: 0.1947257211925418
Energy: 0.21551239407396364
Energy: 0.3483542669977567
Energy: 0.20952229029591365
Energy: 0.20617403236096413
Energy: 0.3734935250064591
Energy: 0.19727038654599138
Energy: 0.1804393077370456
Energy: 0.21149248249233082
Energy: 0.23368371336622987
Energy: 0.20116013328094898
Energy: 0.22026093960259926
Energy: 0.18890094133588176
Energy: 0.18107522892972597
Energy: 0.21728943902748707
Energy: 0.24336697173143448
Energy: 0.19243167413417742
Energy: 0.20021127853020654
Energy: 0.19444053658944832
Energy: 0.17699359805716025
Energy: 0.17287138226991897
Energy: 0.18135483678674394
Energy: 0.178034777570725
Energy: 0.30890848679678584
Energy: 0.16775870095620637
Energy: 0.17985878572035285
Energy: 0.318247776148525
Energy: 0.15734139701646047
Energy: 0.20185332736333642
Energy: 0.3920178259996051
Energy: 0.12412924793001558
Energy: 0.12931903552288979
Energy: 0.2791555597636638
Energy: 0.14569345680462828
Energy: 0.15138315246229767
Energy: 0.31253754772901726
Energy: 0.12667521263747183
Energy: 0.10897578431797958
Energy: 0.1204418260345973
Energy: 0.16684831671731137
Energy: 0.11702268953287412
Energy: 0.2574714794514295
Energy: 0.14193117657422719
Energy: 0.14314184444571695
Energy: 0.15662333250476862
Energy: 0.1592216533044149
Energy: 0.12801562603283154
Energy: 0.10437120211128287
Energy: 0.10371220440834647
Energy: 0.13424064499393035
Energy: 0.0825982523644901
Energy: 0.1483861533527572
Energy: 0.11684221776892816
Energy: 0.2529739599767193
Energy: 0.1881328146655089
Energy: 0.11015025745572693
Energy: 0.23930488284824336
Energy: 0.3089309339023903
Energy: 0.13445876737247964
Energy: 0.3797032044697408
Energy: 0.2136214464146804
Energy: 0.09406934687935307
Energy: 0.04306601776288565
Energy: 0.2387824940190873
Energy: 0.13146842089314925

minimum gb energy = -0.0003866369812001668 eV
minimum distance =  2.34308307606297 Angstroms
sigma value = 33


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

Energy: 1.3480135575767913
Energy: 0.19307260194613474
Energy: 0.1586753721049073
Energy: 0.18520859347654525
Energy: 0.4678793488426739
Energy: 0.17614511788111353
Energy: 0.5471027711550814
Energy: 0.36397362684531825
Energy: 0.27539797367324287
Energy: 0.2506761002794266
Energy: 0.39638675826126024
Energy: 0.24895434636263966
Energy: 0.443975698294477
Energy: 0.16684918436758786
Energy: 0.19557929627026502
Energy: 0.4046960897117775
Energy: 0.15861458434470566
Energy: 0.19153809419331957
Energy: 0.41954466841361626
Energy: 0.18568141472205466
Energy: 0.18626024853013737
Energy: 0.41237151495401697
Energy: 0.1333502596502418
Energy: 0.18935729963423245
Energy: 0.3912186716923783
Energy: 0.2974704366687785
Energy: 0.28037821773646254
Energy: 0.30768671066579023
Energy: 0.27623719113511214
Energy: 0.2796947395536917
Energy: 0.34498629853856927
Energy: 0.26681723445983535
Energy: 0.2499527880030927
Energy: 0.21460242248538747
Energy: 0.31684233467078377
Energy: 0.20027605363961576
Energy: 0.5682663882782876
Energy: 0.26491691060928435
Energy: 0.2585185738746484
Energy: 0.4061947464710945
Energy: 0.2928998815806367
Energy: 0.2579809114596489
Energy: 0.5495336359364197
Energy: 0.3154542469764092
Energy: 0.323713487271659
Energy: 0.5567236344899095
Energy: 0.31316834030632973
Energy: 0.3186328524999745
Energy: 0.3562777022543664
Energy: 0.2957261872920236
Energy: 0.30697643164290933
Energy: 0.3381493402805683
Energy: 0.5061525221734163
Energy: 0.3149688016301229
Energy: 0.35037687177259813
Energy: 0.3210005549419044
Energy: 0.35294708089235305
Energy: 0.3554386080466445
Energy: 0.32319166525272647
Energy: 0.33047264619564604
Energy: 0.4622075694248223
Energy: 0.3256433925160776
Energy: 0.3366476260646667
Energy: 0.333099443408805
Energy: 0.4919870531556816
Energy: 0.32217084624070297
Energy: 0.6952203186665172
Energy: 0.34375812784757925
Energy: 0.33836230885376883
Energy: 0.4910505455083265
Energy: 0.25447103326640297
Energy: 0.32441058535402945
Energy: 0.5514207242172035
Energy: 0.285043372117883
Energy: 0.2957272976619272
Energy: 0.5474802666837452
Energy: 0.30210140181924744
Energy: 0.33481041162791353
Energy: 0.5681597989874839
Energy: 0.31772325358714554
Energy: 0.32377299708734164
Energy: 0.2617477032962526
Energy: 0.37709368073237315
Energy: 0.2919347717822826
Energy: 0.28392612435944914
Energy: 0.30942962524509215
Energy: 0.3100272750029822
Energy: 0.31503763534262774
Energy: 0.30147682511211643
Energy: 0.279205178690958
Energy: 0.31471513179460114
Energy: 0.24186976050077955
Energy: 0.22465611576744932
Energy: 0.5180021358057596
Energy: 0.4806897567350134
Energy: 0.22241819609514105
Energy: 0.4767998510954665
Energy: 0.25764054684683624
Energy: 0.255441387670519
Energy: 0.3813401785955693
Energy: 0.24822785088915406
Energy: 0.2503156085907709
Energy: 0.4389596633464742
Energy: 0.3971453863327691
Energy: 0.2765980228828015
Energy: 0.25560014593210173
Energy: 0.3983668109566086
Energy: 0.2806120068707174
Energy: 0.5355045157498157
Energy: 0.49973961330934774
Energy: 0.16965860199357397
Energy: 0.17562040855434657
Energy: 0.4852937100881057
Energy: 0.15812600374473948
Energy: 0.5423159633484635
Energy: 0.40443880450115965
Energy: 0.38524734479264505
Energy: 0.20589778432418893
Energy: 0.3943973635678858
Energy: 0.2550076620511862
Energy: 0.4750551565315916
Energy: 0.14563966314941124
Energy: 0.19228468772151228
Energy: 0.4126794991959319
Energy: 0.14528884404866707
Energy: 0.18978160682728012
Energy: 0.41309660339257204
Energy: 0.18216751978464457
Energy: 0.1733742874051532
Energy: 0.4148307400648194
Energy: 0.182155024198007
Energy: 0.20519091686222946
Energy: 0.612222178401104
Energy: 0.2724358062119795
Energy: 0.2690324207012924
Energy: 0.28990182797224695
Energy: 0.3944609652417871
Energy: 0.24893163826661582
Energy: 0.5377986521792688
Energy: 0.2390393478168837
Energy: 0.2516957485317145
Energy: 0.19753556857517937
Energy: 0.26267238604138654
Energy: 0.19941262969625928
Energy: 0.5735650923986981
Energy: 0.2458900338165486
Energy: 0.2568185249468232
Energy: 0.4238329008371776
Energy: 0.2629980439056298
Energy: 0.24351424831539742
Energy: 0.6415730264305451
Energy: 0.3269372072613328
Energy: 0.3282581303356713
Energy: 0.6271683892685631
Energy: 0.3194173970358588
Energy: 0.30956331354296157
Energy: 0.3585502862526439
Energy: 0.3052594302276739
Energy: 0.32758513647997045
Energy: 0.36700031140257655
Energy: 0.3170255046734924
Energy: 0.2972307083738034
Energy: 0.34092765624837473
Energy: 0.3385660659497524
Energy: 0.34753560097163394
Energy: 0.3641863373266178
Energy: 0.31291833682783643
Energy: 0.33643329817066103
Energy: 0.48022151225644466
Energy: 0.2932825132016789
Energy: 0.31036520042020915
Energy: 0.3183256293771878
Energy: 0.49624055243086795
Energy: 0.3247167571238401
Energy: 0.7291068936957636
Energy: 0.32435498245045247
Energy: 0.3277218744103568
Energy: 0.7140222160539873
Energy: 0.3714748832921681
Energy: 0.3338086311863274
Energy: 0.6306535404844485
Energy: 0.29842154834475454
Energy: 0.33669024963226857
Energy: 0.5455596645738553
Energy: 0.3176538548795612
Energy: 0.32134332619906397
Energy: 0.585438466140139
Energy: 0.34089742520983535
Energy: 0.32205342439557405
Energy: 0.27272752237350933
Energy: 0.32353855653194097
Energy: 0.28658745292228543
Energy: 0.2552296364538196
Energy: 0.29366476016111875
Energy: 0.2995350227482068
Energy: 0.3086535246660709
Energy: 0.3081819862852552
Energy: 0.30247201654337397
Energy: 0.4805120521961267
Energy: 0.20538504607082303
Energy: 0.27106875073706443
Energy: 0.478111077914008
Energy: 0.2457778130020672
Energy: 0.25199985662077523
Energy: 0.6030654569521829
Energy: 0.25382073393777493
Energy: 0.2522103949275233
Energy: 0.4082062027274223
Energy: 0.14721148770285686
Energy: 0.2629751530704051
Energy: 0.44375475474035087
Energy: 0.264428333298987
Energy: 0.25958879950754427
Energy: 0.4019766634291458
Energy: 0.40317656536062596
Energy: 0.258500855087562
Energy: 0.05635075314672608
Energy: 0.5090117086859036
Energy: 0.1940803015961027
Energy: 0.16244228575918043
Energy: 0.5374168904750741
Energy: 0.17049527399871908

minimum gb energy = 0.05635075314672608 eV
minimum distance =  2.37575229770979 Angstroms
sigma value = 41


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

Energy: 0.4005249613025306
Energy: 0.3874210580548701
Energy: 0.392415168410273
Energy: 0.2786217403709143
Energy: 0.7099943996257309
Energy: 0.4089391910082591
Energy: 0.5412169495657104
Energy: 0.6024453019592445
Energy: 0.6515334664804048
Energy: 0.4694798250697216
Energy: 0.6087182578222469
Energy: 0.5873840272481764
Energy: 0.8753800854277116
Energy: 0.3340903324968797
Energy: 0.33740774340320345
Energy: 0.6467204060973926
Energy: 0.33082396524699026
Energy: 0.3208938617692762
Energy: 0.679743684545152
Energy: 0.3228768133687626
Energy: 0.32808218776727055
Energy: 0.6588526595587915
Energy: 0.32493413139594035
Energy: 0.7214274551716202
Energy: 0.6392460392893382
Energy: 0.4672124355861328
Energy: 0.44188497931186377
Energy: 0.4551320419850358
Energy: 0.5512140980729628
Energy: 0.4531525940374932
Energy: 0.38948613683697403
Energy: 0.4441108564512086
Energy: 0.43812920181163023
Energy: 0.33516301449976393
Energy: 0.7077487813806281
Energy: 0.42859325743593274
Energy: 0.8320228835753993
Energy: 0.6359589746882511
Energy: 0.6574934848887495
Energy: 0.6518293527212111
Energy: 0.6861037528643746
Energy: 0.44424529601177165
Energy: 0.8494478103052703
Energy: 0.45803224445219526
Energy: 0.4583296871379678
Energy: 0.8599042454107004
Energy: 0.4458234638869814
Energy: 0.45548671814535346
Energy: 0.48385175503856565
Energy: 0.4799710432236973
Energy: 0.4848643346065998
Energy: 0.4978765259707133
Energy: 0.4609077808622975
Energy: 0.4656970352035861
Energy: 0.5079405498591614
Energy: 0.465982474939108
Energy: 0.47042912647567614
Energy: 0.5251076376541682
Energy: 0.7541616739873243
Energy: 0.454268236024088
Energy: 0.5200412916881221
Energy: 0.4578471110269508
Energy: 0.4563223451032139
Energy: 0.45556061651276986
Energy: 0.3993088595502397
Energy: 0.4329803394830794
Energy: 0.8253134846078233
Energy: 0.37021270698930175
Energy: 0.473822623852503
Energy: 0.6006907266594971
Energy: 0.40909199954441705
Energy: 0.36151594350520827
Energy: 0.8111589402315065
Energy: 0.5899570052576137
Energy: 0.449058078806737
Energy: 0.6303571634360672
Energy: 0.6697200587931447
Energy: 0.462757285661118
Energy: 0.32010960697767504
Energy: 0.6763380594360691
Energy: 0.36630710546686523
Energy: 0.2925703127307382
Energy: 0.6851236879049513
Energy: 0.3700855444478315

minimum gb energy = 0.2786217403709143 eV
minimum distance =  2.35721537359349 Angstroms
sigma value = 11


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

Energy: 1.7479803428335863
Energy: 0.8319655454440794
Energy: 1.0435305757374687
Energy: 0.7090264967381202
Energy: 0.6548558415168105
Energy: 0.748645072064587
Energy: 1.0121053315000446
Energy: 0.5887800956884263
Energy: 0.6845726956028237
Energy: 0.6609905784715189
Energy: 0.5991546614206046
Energy: 0.6858628152484162
Energy: 1.063873482297355
Energy: 0.5946478035628984
Energy: 0.6145290670359725
Energy: 0.6300110798609805
Energy: 0.6229169644501612
Energy: 0.6409089671621107
Energy: 0.7589892645804922
Energy: 0.5989226400845044
Energy: 0.6499724765879707
Energy: 0.6929529960110655
Energy: 0.5956579792755231
Energy: 0.6474488475234215
Energy: 0.7426484423605346
Energy: 0.7741923456934557
Energy: 0.6923150927189247
Energy: 0.6508137476449225
Energy: 0.7760836242581122
Energy: 0.6617193148531255
Energy: 0.7382083708496775
Energy: 0.6925282527813943
Energy: 0.7147877903156031
Energy: 0.6532061551282696
Energy: 0.7485140625196973
Energy: 0.6815649360641752
Energy: 0.8674508072046131
Energy: 0.909505987150546
Energy: 0.7607046216449149
Energy: 0.8673049937606911
Energy: 0.8065722507955537
Energy: 0.8003658604291091
Energy: 1.0368543143671363
Energy: 0.6634419197296132
Energy: 0.6637177865721914
Energy: 0.9159604397048043
Energy: 0.6497715566840041
Energy: 0.6584267069098393
Energy: 0.666249170945802
Energy: 0.6363912942676776
Energy: 0.6337054242308189
Energy: 0.5603361678538789
Energy: 0.6493609852211797
Energy: 0.6285095645964713
Energy: 0.6703626804452605
Energy: 0.636297604003782
Energy: 0.6426298844604894
Energy: 0.5593721039900482
Energy: 0.6455022005121444
Energy: 0.6343184431407433
Energy: 0.8198989451763772
Energy: 0.6023009911272217
Energy: 0.6342127118561179
Energy: 0.6501185892746802
Energy: 0.616571545439716
Energy: 0.6593228051060164
Energy: 0.7319553455020282
Energy: 0.5333377430270156
Energy: 0.546810984385705
Energy: 0.6449149834407357
Energy: 0.5001909815797172
Energy: 0.5869947677284721
Energy: 0.7615390977239792
Energy: 0.648813917867959
Energy: 0.6490185740457407
Energy: 0.6577509877151911
Energy: 0.6498353443737727
Energy: 0.6463593658532505
Energy: 0.6913625272406638
Energy: 0.6847328631499917
Energy: 0.6612281952878145
Energy: 0.6003369815781286
Energy: 0.6344959160752701
Energy: 0.7014451999750942
Energy: 0.8657819520998893
Energy: 0.6525981461012896
Energy: 0.6542109537793609
Energy: 0.6693662212158451
Energy: 0.6420742270433989
Energy: 0.6506202772465598
Energy: 0.828098153136491
Energy: 0.6775039285993403
Energy: 0.7003933767879291
Energy: 0.9787131546049307
Energy: 0.6713885836501373
Energy: 0.6914604282668104
Energy: 0.8471498872610342
Energy: 0.6740345233551084
Energy: 0.6973834333005298
Energy: 0.7184883831257904
Energy: 0.6766124860636481
Energy: 0.688457506215663
Energy: 1.304234657771136
Energy: 0.8926014479069304
Energy: 0.792338807017701
Energy: 0.7939346767947131
Energy: 0.8818757630155699
Energy: 1.004866990001743
Energy: 0.7578250556958565
Energy: 0.6655984083673085
Energy: 0.6737709852663218
Energy: 0.7658924140228256
Energy: 0.6902462446286132
Energy: 0.664200250467928
Energy: 0.78319351336165
Energy: 0.5913477990235971
Energy: 0.5734160959899905
Energy: 0.6967468431572561
Energy: 0.583837433511031
Energy: 0.6289195466485181
Energy: 0.9402721079837433
Energy: 0.592108432863926
Energy: 0.6365387358385391
Energy: 0.7007849827692637
Energy: 0.5741020582995047
Energy: 0.6985806711874393
Energy: 0.8773591967724033
Energy: 0.6575805601840318
Energy: 0.6820309575622638
Energy: 0.6282445433994014
Energy: 0.7013576011341046
Energy: 0.6719389711586428
Energy: 0.6213590451262777
Energy: 0.6515243214074325
Energy: 0.6281640102693176
Energy: 0.5511912086486219
Energy: 0.6847865979410686
Energy: 0.6020402203641315
Energy: 0.9226554697827323
Energy: 0.7891984617483694
Energy: 0.6686219298850247
Energy: 0.6957429507392953
Energy: 0.8643505682272253
Energy: 0.6573527346030059
Energy: 1.1176515810499223
Energy: 0.7725210389433705
Energy: 0.9290654552207889
Energy: 0.9351359117551726
Energy: 0.639262632640563
Energy: 0.6125617791301119
Energy: 0.756935574891419
Energy: 0.7131658357131097
Energy: 0.656982691073308
Energy: 0.6423579943650165
Energy: 0.7308502433170486
Energy: 0.6937856126389376
Energy: 0.7416577264081612
Energy: 0.7309521773215668
Energy: 0.6736176851790623
Energy: 0.6731050969055853
Energy: 0.7367959649741268
Energy: 0.6916136596471553
Energy: 0.7504900996400669
Energy: 0.6694862125142224
Energy: 0.6550144199112506
Energy: 0.6332397444637499
Energy: 0.7611179351568942
Energy: 0.6644223157422419
Energy: 1.1422302637289623
Energy: 0.6825892082586887
Energy: 0.6741916250659491
Energy: 0.8295212365602164
Energy: 0.6073479077640266
Energy: 0.6568447794921181
Energy: 1.0748650615073203
Energy: 0.7330872467388144
Energy: 0.7168199904276821
Energy: 0.6582540521646855
Energy: 0.6595838027437128
Energy: 0.6416708554567191
Energy: 0.6358021539054174
Energy: 0.6680608928093191
Energy: 0.5954419850068663
Energy: 0.5378098859443458
Energy: 0.6574636775903947
Energy: 0.6013360776454083

minimum gb energy = 0.5001909815797172 eV
minimum distance =  2.3391120499018 Angstroms
sigma value = 57


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

Energy: 1.6268817998090452
Energy: 1.184874370375772
Energy: 1.195956780848963
Energy: 0.9641502686311981
Energy: 0.7633741789658982
Energy: 0.7564985513544029
Energy: 1.029276873756555
Energy: 0.6521847877876372
Energy: 0.8974381712514657
Energy: 0.8546753915543291
Energy: 0.9278994198798198
Energy: 0.8564525152053621
Energy: 0.9519022748674862
Energy: 0.6766201818114406
Energy: 0.700373438180538
Energy: 0.8250026303151144
Energy: 0.682567813719582
Energy: 0.9308718296193292
Energy: 0.9163178777729294
Energy: 0.7780432499111352
Energy: 0.7663035870898063
Energy: 0.786367006649436
Energy: 0.6743414814449614
Energy: 0.7665813887743775
Energy: 0.8774679792678672
Energy: 0.9233048832041214
Energy: 0.8817788552987836
Energy: 0.8209063067744495
Energy: 0.9428682063304852
Energy: 0.8843234456489618
Energy: 0.9009382354069316
Energy: 0.8989182916978454
Energy: 0.9022992118685069
Energy: 0.8213152238801069
Energy: 0.925215565981392
Energy: 0.764404262933701
Energy: 0.8482886779671294
Energy: 0.8516626923601059
Energy: 0.9848842786000084
Energy: 0.949987032598441
Energy: 0.8477224827968751
Energy: 0.9000381901406127
Energy: 0.8656861562052343
Energy: 0.8854832664809892
Energy: 0.7757956668269799
Energy: 0.9591066842775251
Energy: 0.7852728430116567
Energy: 0.8894459055743166
Energy: 0.8587122752262294
Energy: 0.6719471891083717
Energy: 0.7118702609951777
Energy: 0.7257886694840112
Energy: 0.9664811058402548
Energy: 0.7120188255072472
Energy: 0.8631787987815821
Energy: 0.681872289126271
Energy: 0.7099864128692831
Energy: 0.7325592086127497
Energy: 0.9423389523303771
Energy: 0.7114952925300736
Energy: 1.1083572889995972
Energy: 0.7671241760301707
Energy: 0.771354724366101
Energy: 0.7659004820507497
Energy: 0.7550065954903811
Energy: 0.7628472919903768
Energy: 1.1089415468982444
Energy: 0.8092487320902103
Energy: 0.8199041851466791
Energy: 0.7538468884532751
Energy: 0.672438102192168
Energy: 0.805162870614938
Energy: 0.9387752095957668
Energy: 0.9028325417074148
Energy: 0.8925143449080857
Energy: 0.7803099699622363
Energy: 0.9026436469303688
Energy: 0.8963521922131168
Energy: 0.904559531485641
Energy: 0.9336998745618951
Energy: 0.9006385176216972
Energy: 0.816334393112252
Energy: 0.707086065476382
Energy: 0.9193182789622206
Energy: 1.0608483386067735
Energy: 0.7255957800654498
Energy: 0.7707210604048467
Energy: 0.7800277840526029
Energy: 0.7174437041486854
Energy: 0.7675068741825808
Energy: 0.9298995523466934
Energy: 0.7269363917529991
Energy: 0.7311044096337259
Energy: 1.0424540049142093
Energy: 0.7219597771522872
Energy: 0.9276039551683055
Energy: 1.0079119897310311
Energy: 0.9343660082527269
Energy: 0.9046811537603823
Energy: 0.9078396060032635
Energy: 0.9337556266192282
Energy: 0.9006277193497684

minimum gb energy = 0.6521847877876372 eV
minimum distance =  2.31441597479457 Angstroms
sigma value = 9


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

Energy: 1.1782080663391798
Energy: 0.9586000864978459
Energy: 0.8833753126136276
Energy: 0.9017489200978959
Energy: 0.8127952824920917
Energy: 0.8832548386426784
Energy: 1.1219338422750054
Energy: 0.8609744008713864
Energy: 0.8320383557658465
Energy: 0.8515689341240573
Energy: 0.8729738047048818
Energy: 0.8707034538217806
Energy: 0.9955649871450177
Energy: 0.8688371199885336
Energy: 0.9130393537200511
Energy: 0.9684974285206511
Energy: 0.8703473156061692
Energy: 0.9339323023844142
Energy: 0.9297836283281489
Energy: 0.8926260174778414
Energy: 0.8865653490602124
Energy: 0.8235430725610385
Energy: 0.8623362918347335
Energy: 0.8789074540086241
Energy: 0.923681390338853
Energy: 0.6025823278872297
Energy: 0.5759610415180566
Energy: 0.8175566102180439
Energy: 0.6292700528039432
Energy: 1.0038287809616238
Energy: 0.9292982336724985
Energy: 0.8665804630699441
Energy: 0.8103553315920001
Energy: 0.8072508800066043
Energy: 0.8040609528935868
Energy: 0.8231845294839966
Energy: 0.9011926823943999
Energy: 0.8922406309264288
Energy: 0.8497990032509913
Energy: 0.5262422661443903
Energy: 0.8912912287139511
Energy: 0.8527508203481227
Energy: 1.0248198969876035
Energy: 0.816743973746556
Energy: 0.8275221306615572
Energy: 0.8315973203627054
Energy: 0.7879654109269039
Energy: 0.848126972033869
Energy: 1.0213945569389182
Energy: 0.8744962873707656
Energy: 0.879593735581804
Energy: 0.8426683485284138
Energy: 0.8716785655656135
Energy: 0.8720771053646734
Energy: 1.0124436473935468
Energy: 0.8051580427568412
Energy: 0.8405419954333705
Energy: 0.8148413663962911
Energy: 0.8141827212304604
Energy: 0.8335786697106969
Energy: 0.7289003561411281
Energy: 0.9721728971794611
Energy: 0.9378305104091844
Energy: 0.8930961079204878
Energy: 0.9453799990610897
Energy: 0.9620006326895337
Energy: 1.0262460068712254
Energy: 0.8425040398924148
Energy: 0.867443963557232
Energy: 0.8448213881551188
Energy: 0.872188291672021
Energy: 0.903325265126917
Energy: 1.0747763573213762
Energy: 0.9811267078728392
Energy: 0.9161142805406088
Energy: 0.8747086227948705
Energy: 0.8413222768739624
Energy: 0.8515596939077759
Energy: 1.010620253994913
Energy: 0.8663062146415194
Energy: 0.9027138786258193
Energy: 0.9008020228750939
Energy: 0.8796163988636561
Energy: 0.8822353681297751
Energy: 1.0624957495703677
Energy: 0.8240157740606191
Energy: 0.8189996949778231
Energy: 0.9081273895762789
Energy: 0.7880543558715535
Energy: 0.8778579872260586
Energy: 0.9401422538113962
Energy: 0.8076113305345928
Energy: 0.8692354205301331
Energy: 0.9226917672670791
Energy: 0.8283133478813715
Energy: 0.7876832535036271
Energy: 0.9935173911253831
Energy: 0.8518778548969193
Energy: 0.9071176381260512
Energy: 0.829690125737938
Energy: 0.8927625494514594
Energy: 0.8723962234796452
Energy: 1.341423893543813
Energy: 0.9652792231783636
Energy: 1.0094056388790194
Energy: 0.8188983879303653
Energy: 0.892720075401621
Energy: 1.035351527537813
Energy: 1.0112488485711388
Energy: 0.8566095596662701
Energy: 0.8934620967679568
Energy: 0.888149149838407
Energy: 0.7120638068962379
Energy: 0.8469931312810092
Energy: 0.8002248170843459
Energy: 0.9033512016839511
Energy: 0.9216387761796875
Energy: 0.873284165751481
Energy: 0.8954639140186345
Energy: 0.93033475616343
Energy: 1.0094869262387063
Energy: 0.8186189383967032
Energy: 0.8450179537640239
Energy: 0.7580119956511886
Energy: 0.8106324390096054
Energy: 0.8896319076263931

minimum gb energy = 0.5262422661443903 eV
minimum distance =  2.2712998037661 Angstroms
sigma value = 27


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

Energy: 1.807009709535021
Energy: 1.0324388028715075
Energy: 0.8643090381678438
Energy: 0.6368053026997494
Energy: 1.3567362907342024
Energy: 1.0255164232573954
Energy: 1.0570223916800479
Energy: 0.9217820724823821
Energy: 0.9171583247895115
Energy: 0.9067340707290755
Energy: 0.9429327610491237
Energy: 0.5753294491885812
Energy: 1.2035004242909395
Energy: 1.0171623568067232
Energy: 0.5905315209862549
Energy: 0.8854856578208419
Energy: 1.0396636145800304
Energy: 1.0101547733515666
Energy: 1.1261262949570447
Energy: 0.8988413734216112
Energy: 0.935994407192062
Energy: 1.0200820169941276
Energy: 0.8299454253248578
Energy: 0.9171792628310509
Energy: 0.9885554076888642
Energy: 1.026889034513224
Energy: 0.6478900439803911
Energy: 0.8799663989684126
Energy: 1.0310670654064722
Energy: 0.8441879144037275
Energy: 1.0816587945842868
Energy: 0.9649622845523235
Energy: 0.9520065685222856
Energy: 0.9451564240729241
Energy: 0.9806195995480583
Energy: 0.9582238064632302
Energy: 0.7843992511651161
Energy: 0.8774278490774495
Energy: 0.9391322471808915
Energy: 0.6765657369596534
Energy: 0.9066162696493922
Energy: 0.8897992341828199
Energy: 1.1431745136091296
Energy: 0.9864888065428162
Energy: 1.0055416632554113
Energy: 0.9531790862660808
Energy: 0.9264226072760856
Energy: 0.9339724386060092
Energy: 0.9245257884057728
Energy: 0.6437005758900436
Energy: 0.6388732246142246
Energy: 0.9156350890643391
Energy: 0.9375051773458957
Energy: 0.9372358455679558
Energy: 0.9265705350213694
Energy: 0.9465441925890997
Energy: 0.6308490672109884
Energy: 0.6181341192488489
Energy: 0.938360914478671
Energy: 0.638535624762341
Energy: 0.8847182147684138
Energy: 0.9461657561758863
Energy: 0.9400090116363233
Energy: 0.9438039422460144
Energy: 0.8790491550592081
Energy: 0.6555942162752282
Energy: 1.261724828721455
Energy: 0.966703843182188
Energy: 0.9541324276514879
Energy: 0.9585332037895387
Energy: 0.9463563226496577
Energy: 1.0059313375444086
Energy: 1.1994982494436448
Energy: 0.9793829486435848
Energy: 0.971911090683179
Energy: 0.9908269071601294
Energy: 0.9851202681161201
Energy: 0.9725886661679455
Energy: 1.2029614347610846
Energy: 0.9666508357499293
Energy: 0.975569125305082
Energy: 0.9937961327503804
Energy: 0.9924948984848015
Energy: 0.9677634990232571
Energy: 1.1551101174962408
Energy: 0.6406138266872149
Energy: 0.6681187823724178
Energy: 0.9652409048781525
Energy: 0.6077335907097609
Energy: 0.6498405500999666
Energy: 0.9853513649284703
Energy: 0.6641411333363935
Energy: 0.6503051482989098
Energy: 0.9433492519451053
Energy: 0.9210868414706564
Energy: 0.6590305784688743
Energy: 1.0259007239516844
Energy: 0.9733740396473617
Energy: 0.9576645731533865
Energy: 0.8641076605992353
Energy: 0.9895653333953196
Energy: 0.9614196087890489
Energy: 1.0128785942421643
Energy: 0.9950270724396417
Energy: 0.9878141350520767
Energy: 0.6000918566253415
Energy: 0.980559934005952
Energy: 1.0000169476485468
Energy: 0.9612823812036352
Energy: 0.9041737707371147
Energy: 0.9038025560445064
Energy: 0.897505010698438
Energy: 0.8852081312779717
Energy: 0.9190685276358025
Energy: 1.2550837240965396
Energy: 0.9999923782447839
Energy: 0.9044575636083356
Energy: 1.0140502768819832
Energy: 0.9139524104380642
Energy: 0.9072664132785655
Energy: 1.0176102674553407
Energy: 1.001042747215395
Energy: 0.6593104825285588
Energy: 0.6244559760951369
Energy: 1.0049491926842264
Energy: 0.9563527270941575
Energy: 1.2248439192274523
Energy: 0.8827760159676188
Energy: 0.7133073189320176
Energy: 0.7548928245210064
Energy: 0.8953263951445781
Energy: 0.6435487559662113
Energy: 1.3132511115141867
Energy: 0.98520526657964
Energy: 1.019730201380244
Energy: 0.873395174483769
Energy: 1.0209602009271186
Energy: 0.9752223326309292
Energy: 0.9552138749733444
Energy: 1.054850175439399
Energy: 0.9539887235821274
Energy: 0.6083921040958269
Energy: 0.5604159130861766
Energy: 1.034489115873414
Energy: 1.216953131134047
Energy: 0.9034124811993504
Energy: 0.9330922092801364
Energy: 0.856391755125961
Energy: 0.8984961625567481
Energy: 0.8842028017729552

minimum gb energy = 0.5604159130861766 eV
minimum distance =  2.23330923002485 Angstroms
sigma value = 19


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

Energy: 1.7910941383413481
Energy: 0.8425652439771407
Energy: 0.7863791999146749
Energy: 0.7872881619819685
Energy: 0.7141606311200689
Energy: 0.712672858313949
Energy: 0.9499565789238816
Energy: 0.6712815451583477
Energy: 0.6909382024250232
Energy: 0.6653532293046808
Energy: 0.46700991445007867
Energy: 0.6730250165812203
Energy: 0.7968540066923534
Energy: 0.6372193787490804
Energy: 0.6674651751771291
Energy: 0.5858219407062517
Energy: 0.597032586497598
Energy: 0.5924903145569179
Energy: 0.9757640234754453
Energy: 0.6603466346677199
Energy: 0.7023680618648217
Energy: 0.8558284860635395
Energy: 0.6514872709978762
Energy: 0.6991087319132548
Energy: 1.0842376409537835
Energy: 0.6853859569116294
Energy: 0.6172758368495531
Energy: 0.670270436030966
Energy: 0.6764611846871994
Energy: 0.6148791903774135
Energy: 0.9387991190006982
Energy: 0.6917363151714275
Energy: 0.6940635938675537
Energy: 0.46602791429479573
Energy: 0.6699859520432957
Energy: 0.6633358717798902
Energy: 0.8153979840821731
Energy: 0.6334164504870965
Energy: 0.7628609046001523
Energy: 0.6017653345342093
Energy: 0.755268116544314
Energy: 0.6216412583945752
Energy: 0.7787183768438064
Energy: 0.8258075418077808
Energy: 0.6820824881521695
Energy: 0.6067856241937368
Energy: 0.8584818795394002
Energy: 0.6887503060239377
Energy: 0.917433982386509
Energy: 0.594128279464748
Energy: 0.618791263332395
Energy: 0.5881219291386628
Energy: 0.6381421762677192
Energy: 0.6162883081401993
Energy: 0.9301386005758548
Energy: 0.624487417254524
Energy: 0.6318962267128543
Energy: 0.6336616725292616
Energy: 0.6269159527551554
Energy: 0.631211289387894
Energy: 0.8176353096116472
Energy: 0.6136332355324187
Energy: 0.6646471514958314
Energy: 0.6653684726328881
Energy: 0.6432756868395058
Energy: 0.5929860596064656
Energy: 0.9205435814281205
Energy: 0.6523202501924802
Energy: 0.6586287710390951
Energy: 0.6557841135382061
Energy: 0.6581585578521657
Energy: 0.6666975079076706
Energy: 0.9602938567255687
Energy: 0.6034947470170638
Energy: 0.6233114616676453
Energy: 0.8014940371391622
Energy: 0.5929153874074158
Energy: 0.5908102273719298
Energy: 1.0735855286205687
Energy: 0.6199899576591207
Energy: 0.6149709854166446
Energy: 0.8402353061319926
Energy: 0.5166291466882647
Energy: 0.6556810285194715
Energy: 0.9056175815998997
Energy: 0.5586741665941293
Energy: 0.6356476541214936
Energy: 0.6424721099588849
Energy: 0.5755654524339971
Energy: 0.6403953822260628
Energy: 1.0732326673642891
Energy: 0.6216747940375803
Energy: 0.6285509328821361
Energy: 0.6373504326494408
Energy: 0.6101469409076188
Energy: 0.6292457115962783
Energy: 0.9906750044706396
Energy: 0.5548388569445619
Energy: 0.6116692083476934
Energy: 0.8098400543786461
Energy: 0.5531084935126173
Energy: 0.7150592555513493
Energy: 1.044132966179619
Energy: 0.6375017671747326
Energy: 0.6464529082319935
Energy: 0.6532898905448253
Energy: 0.6643033084266203
Energy: 0.6309265023197869
Energy: 1.0037631908356806
Energy: 0.8814092484723962
Energy: 0.6922980798265731
Energy: 0.609804613160859
Energy: 0.6471713063251202
Energy: 0.6145027798156528
Energy: 1.012982007384084
Energy: 0.8569724447653719
Energy: 0.6643260214903104
Energy: 0.48889000456375215
Energy: 0.659292746575522
Energy: 0.6017786937420415
Energy: 0.9298412808971438
Energy: 0.6152119505121294
Energy: 0.6381780938285088
Energy: 0.6239939872535577
Energy: 0.6040791197259119
Energy: 0.6419884720317252
Energy: 0.928430090313326
Energy: 0.6491150490031832
Energy: 0.6409422553218076
Energy: 0.6311672207385094
Energy: 0.6250300784727529
Energy: 0.6324891444968836
Energy: 1.0404182552832193
Energy: 0.8304607835151051
Energy: 0.8144586253262743
Energy: 0.5754301275006636
Energy: 0.8222206483619526
Energy: 0.5935361241833724
Energy: 0.9897277838042161
Energy: 0.8862313370556748
Energy: 0.8790792485374415
Energy: 0.6138051637750697
Energy: 0.840260025751388
Energy: 0.5965986345197497
Energy: 1.0403959794205393
Energy: 0.6517906448112867
Energy: 0.6613996103119258
Energy: 0.4963961172690428
Energy: 0.6513652818961637
Energy: 0.6425714791556393
Energy: 0.9461544456611817
Energy: 0.6474478019671508
Energy: 0.6123161432525038
Energy: 0.7948614604536152
Energy: 0.6229817559563632
Energy: 0.6268564752599227
Energy: 0.99039917985885
Energy: 0.6325636360641704
Energy: 0.6327088044841112
Energy: 0.5836176432291728
Energy: 0.6228144100870351
Energy: 0.6358300821744686
Energy: 0.8561179671794793
Energy: 0.6607267111214666
Energy: 0.6507463604170928
Energy: 0.6300417591558334
Energy: 0.6047874969903206
Energy: 0.6534255936274516
Energy: 0.9731373695065367
Energy: 0.6055269544562867
Energy: 0.6418205058572095
Energy: 0.7948548319543683
Energy: 0.5623914333233935
Energy: 0.7971091869718766

minimum gb energy = 0.46602791429479573 eV
minimum distance =  2.29194477872532 Angstroms
sigma value = 101


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

Energy: 1.6551429689254618
Energy: 0.9000108984125624
Energy: 0.6516290949809208
Energy: 1.0806448924068932
Energy: 1.584846828758558
Energy: 1.0967669003750498
Energy: 0.9946214844248998
Energy: 0.8145223385288684
Energy: 0.8269650040316233
Energy: 0.507697895030991
Energy: 0.8276394684611249
Energy: 0.5528144391194215
Energy: 0.9643026330327589
Energy: 0.52248534918885
Energy: 0.5345452711028803
Energy: 0.5343066521286651
Energy: 0.5116797323302642
Energy: 0.546969157381413
Energy: 0.9283917310402234
Energy: 0.8434523205789558
Energy: 0.8446216642870008
Energy: 0.8140486164700074
Energy: 0.8262175718357628
Energy: 0.8484394939444067
Energy: 1.098300197188271
Energy: 0.5094059646585851
Energy: 0.4927526104879332
Energy: 0.9450519668734914
Energy: 0.4996400128106394
Energy: 0.9052167400578889
Energy: 0.9380407204809527
Energy: 0.53324513149403
Energy: 0.537746560447092
Energy: 0.8246583964056182
Energy: 0.518618001699125
Energy: 0.8375593557849763
Energy: 1.0277663145461504
Energy: 0.5453249687728479
Energy: 0.5031141379318975
Energy: 0.4520632512280758
Energy: 0.5446476433895514
Energy: 0.523279842407583
Energy: 0.8952484962728514
Energy: 0.519524046090167
Energy: 0.514324197938316
Energy: 0.44876741227554884
Energy: 0.7701973030919346
Energy: 0.8359944260367579
Energy: 0.8914307093617659
Energy: 0.4611010947409712
Energy: 0.4280788566899778
Energy: 0.4561534904992448
Energy: 0.47360364676056405
Energy: 0.4648638965360156
Energy: 0.8992857565013593
Energy: 0.839225107107675
Energy: 0.5241207563424399
Energy: 0.802199081364716
Energy: 0.8394535063993485
Energy: 0.8198258466827181
Energy: 0.9916682206901268
Energy: 0.46998527610996554
Energy: 0.4956199938740162
Energy: 0.5604200900246089
Energy: 0.49323528681330014
Energy: 0.5239362183444183
Energy: 0.9772202472735354
Energy: 0.5021363489851896
Energy: 0.5059758028659516
Energy: 0.8230038256834669
Energy: 0.5111773069206383
Energy: 0.5286234277550603
Energy: 0.8977800904036368
Energy: 0.4769262783597501
Energy: 0.48573889348049787
Energy: 0.7677076423472402
Energy: 0.49207939700012027
Energy: 0.49896814965389863
Energy: 0.8837366891427995
Energy: 0.497980990947213
Energy: 0.518727328843924
Energy: 0.7408652798493224
Energy: 0.4831852721779798
Energy: 0.8282052600044826
Energy: 0.9554663563679232
Energy: 0.4679061571005984
Energy: 0.5196060660330483
Energy: 0.4981476926734301
Energy: 0.45685356218238377
Energy: 0.5289828488355958
Energy: 1.0109328191399123
Energy: 0.83380308131469
Energy: 0.8280695044588602
Energy: 0.5138499101932672
Energy: 0.7905721670455435
Energy: 0.5244207523348389
Energy: 0.9186320497850186
Energy: 0.4908814900918008
Energy: 0.38984922587807436
Energy: 0.7762690811138376
Energy: 0.5071775947225653
Energy: 0.7743133570220517
Energy: 1.0388871328722724
Energy: 0.34351401285852695
Energy: 0.47272721884357627
Energy: 0.4963644493448261
Energy: 0.3453678584617639
Energy: 0.7978980609744368
Energy: 0.8681866963242535
Energy: 0.5078046746984838
Energy: 0.5103796176200993
Energy: 0.4883571538701958
Energy: 0.5139780829542151
Energy: 0.5143955136114076
Energy: 0.9907484549989523
Energy: 0.8239600275521046
Energy: 0.5166586148267825
Energy: 0.8034690968036494
Energy: 0.8319823898775409
Energy: 0.5229032369155764
Energy: 0.9213407749545803
Energy: 0.5021063856822852
Energy: 0.5211204497311231
Energy: 0.8437083732481473
Energy: 0.4873417978304104
Energy: 0.7281252678147213
Energy: 0.9467094634725117
Energy: 0.4889729980013923
Energy: 0.5181578535597088
Energy: 0.46253070832433085
Energy: 0.48526732974834264
Energy: 0.5151945612315116
Energy: 0.9562676548271796
Energy: 0.7517725320240181
Energy: 0.5286733871068896
Energy: 0.3618778842499621
Energy: 0.5602870246432897
Energy: 0.47627092441854674
Energy: 0.9557978826867783
Energy: 0.7929050591623443
Energy: 0.5281461278129891
Energy: 0.46235421797028
Energy: 0.8010883741898431
Energy: 0.3793666641790705
Energy: 0.8988175307238495
Energy: 0.4721826625187829
Energy: 0.8456402859961554
Energy: 0.8093354759645499
Energy: 0.4654848552879347
Energy: 0.49811571258766757
Energy: 0.8979313735462655
Energy: 0.5032787768905437
Energy: 0.4848215802797176
Energy: 0.7821015728313979
Energy: 0.5004148957729091
Energy: 0.8259881337351885
Energy: 1.0063619916634545
Energy: 0.5418543449414844
Energy: 0.536257512362302
Energy: 0.5491141646254418
Energy: 0.8385608395165594
Energy: 0.8252073951242002
Energy: 0.9903586028047077
Energy: 0.8190931709144412
Energy: 0.5238823676043861
Energy: 0.5611216674371026
Energy: 0.8277437179646461
Energy: 0.504022271631265
Energy: 0.8841405643916974
Energy: 0.45755278088261675
Energy: 0.5166195554914228
Energy: 0.7773278190676863
Energy: 0.4764172503260915
Energy: 0.5529334489217868
Energy: 0.8709091427003128
Energy: 0.3739065615947399
Energy: 0.479737577439071
Energy: 0.7493320639322725
Energy: 0.41328391039651724
Energy: 0.5162716195427526
Energy: 0.9334407360836586
Energy: 0.4953033695211375
Energy: 0.8490590576212618
Energy: 0.5141355655440694
Energy: 0.8300382915343906
Energy: 0.5010861449906887
Energy: 0.9285183488453727
Energy: 0.8458891942162068
Energy: 0.5093747969430216
Energy: 0.4818807397287833
Energy: 0.840713297406985
Energy: 0.50283839688886
Energy: 0.9104001265204732
Energy: 0.5418767415618285
Energy: 0.44761331938501725
Energy: 0.5754715625683303
Energy: 0.4753823687100703
Energy: 0.4708168006630854

minimum gb energy = 0.34351401285852695 eV
minimum distance =  2.31764129978829 Angstroms
sigma value = 33


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

Energy: 0.018936181962735985
Energy: -0.012082157410442562
Energy: -0.036616806297293816
Energy: -0.009840341269238554
Energy: -2.4563920946221636
Energy: -0.058545651297697746
Energy: 0.2016468908110146
Energy: 0.0744624088254133
Energy: 0.08767380651346267
Energy: 0.12699026998899385
Energy: 0.09324975758116841
Energy: -3.4328638199123063
Energy: 1.269829900640326
Energy: -2.562684151973886
Energy: -2.511592231231083
Energy: -2.440854948124386
Energy: -2.4371716565586476
Energy: -2.485397469844557
Energy: -0.19577281721110634
Energy: 0.07446240882895562
Energy: 0.0876738065126024
Energy: 0.1269902699894493
Energy: 0.09324975758162386
Energy: -3.432863819933661

minimum gb energy = -3.432863819933661 eV
minimum distance =  2.39450960860543 Angstroms
sigma value = 1