Model name: model_name=MEAM_LAMMPS_EtesamiAsadi_2018_Fe__MO_549900287421_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.851000025868416
cohesive_energy=4.290337340197516
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.01333445562369178
Energy: 0.01373697220605201
Energy: 2.826821516694913
Energy: 0.01373697220605201
Energy: 0.01373697220605201
Energy: 0.013993488172572273
Energy: 0.7287580024194039
Energy: 0.013993488172572273
Energy: 2.826821516694913
Energy: 0.7287580024194039
Energy: 0.7287220444154165
Energy: 0.7287580024194039
Energy: 0.01373697220605201
Energy: 0.013993488172572273
Energy: 0.7287580024194039
Energy: 0.013993488172572273

minimum gb energy = 0.01333445562369178 eV
minimum distance =  2.465015866108 Angstroms
sigma value = 1


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

Energy: 1.3725124160957196
Energy: 0.9019954095256987
Energy: 0.9108061820894684
Energy: 0.9019954095269216
Energy: 1.404620622070492
Energy: 0.8637527893761384
Energy: 0.9900187586718782
Energy: 0.8637527893761384
Energy: 1.5349587461770535
Energy: 0.9274684888601752
Energy: 0.8972324942861375
Energy: 0.9274684888601752
Energy: 1.2566949581156683
Energy: 0.8661444697770277
Energy: 0.9608405404658095
Energy: 0.8661444697770277
Energy: 1.2988276520068318
Energy: 0.8655796703066855
Energy: 1.3032464183844819
Energy: 0.8655796703079085
Energy: 1.4281528693630323
Energy: 0.8750081252724095
Energy: 0.8747269988989727
Energy: 0.8750081252724095
Energy: 1.0548191364060786
Energy: 0.876164741050494
Energy: 0.8746517421799406
Energy: 0.876164741050494
Energy: 0.8671241484672939
Energy: 0.8723082666767094
Energy: 1.2771406667218217
Energy: 0.8723082666767094
Energy: 1.0639096401368244
Energy: 0.8726156889516045
Energy: 1.225080901219565
Energy: 0.8726156889516045
Energy: 1.52819779490082
Energy: 0.8747740559624922
Energy: 1.1116304088468396
Energy: 0.8747740559637153
Energy: 0.8952376491835164
Energy: 0.9356358160446591
Energy: 1.2271954021067653
Energy: 0.9356358160434362
Energy: 0.8953038734854861
Energy: 0.895223517206011
Energy: 1.8866142804066313
Energy: 0.895223517206011
Energy: 1.0851424844355662
Energy: 0.8634385248820992
Energy: 1.2538113310053958
Energy: 0.8634385248820992
Energy: 0.9250758892570878
Energy: 0.8633475437179201
Energy: 1.3622030322841432
Energy: 0.8633475437191431
Energy: 0.9106740640219217
Energy: 0.8728228531606943
Energy: 1.4104652394086292
Energy: 0.8728228531606943
Energy: 0.9712894316442062
Energy: 0.8727169260206143
Energy: 1.410313261377077
Energy: 0.8727169260206143
Energy: 0.9248561514929168
Energy: 0.8633710458930972
Energy: 1.3644366573954305
Energy: 0.8633710458943202
Energy: 1.090361323109533
Energy: 1.2238911457468893
Energy: 1.2549130259259276
Energy: 1.2238911457481123
Energy: 0.8842893321077248
Energy: 0.8952267062180214
Energy: 1.9416350493254262
Energy: 0.8952267062192444
Energy: 0.8951358772277584
Energy: 0.9354022262702786
Energy: 1.0549937150156683
Energy: 0.9354022262715016
Energy: 1.5281045121749406
Energy: 0.8747575968301552
Energy: 1.1112927097299983
Energy: 0.8747575968301552
Energy: 1.0639201822764992
Energy: 0.8656742992270742
Energy: 1.2251225336506257
Energy: 0.8656742992270742
Energy: 1.1265567970777197
Energy: 0.8724976035474603
Energy: 1.0730473105168112
Energy: 0.8724976035474603
Energy: 1.2453284400901914
Energy: 0.8748786822021796
Energy: 0.8747369397155028
Energy: 0.8748786822021796
Energy: 1.4280363790314992
Energy: 0.8749013959843219
Energy: 0.8749080973640582
Energy: 0.8749013959843219
Energy: 1.3358916797630795
Energy: 0.8656891565902052
Energy: 1.3033060756646628
Energy: 0.8656891565902052
Energy: 1.2556383769388058
Energy: 0.8661479276284556
Energy: 0.9101731125648557
Energy: 0.8661479276272327
Energy: 1.6425360327857697
Energy: 0.927437249320155
Energy: 0.8979045161444575
Energy: 0.9274372493189322
Energy: 1.4045798346317389
Energy: 0.8639572389341154
Energy: 0.992018202703655
Energy: 0.8639572389341154
Energy: 1.3620277887083783
Energy: 0.8654009828984649
Energy: 0.9275189502148142
Energy: 0.8654009828972419
Energy: 1.4069983708566154
Energy: 0.8636760936763723
Energy: 1.0019202157492018
Energy: 0.8636760936763723
Energy: 1.427001949790208
Energy: 0.8932048224927055
Energy: 0.8979602026794434
Energy: 0.8932048224914827
Energy: 1.3006470789993938
Energy: 0.8658047515083158
Energy: 0.9900528114778413
Energy: 0.8658047515058699

minimum gb energy = 0.8633475437179201 eV
minimum distance =  2.33803611261082 Angstroms
sigma value = 1


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

Energy: 1.4848874201340703
Energy: 0.9035380487854943
Energy: 0.9695214006379966
Energy: 0.9035380487854943
Energy: 1.2801956733952409
Energy: 0.9585816734441635
Energy: 1.155930329695338
Energy: 0.9585816734441635
Energy: 1.3187650521908911
Energy: 0.9415944712848846
Energy: 0.9417388597564755
Energy: 0.9415944712848846
Energy: 0.8808396520771548
Energy: 0.9190255393936869
Energy: 1.1553055154439549
Energy: 0.9190255393936869
Energy: 0.8808674575154445
Energy: 0.9187721060993275
Energy: 1.4881735830294467
Energy: 0.918772106097933
Energy: 1.3188442552158723
Energy: 0.9185098857498318
Energy: 0.9185040691443361
Energy: 0.9185098857498318
Energy: 1.002923329927295
Energy: 0.958760454018342
Energy: 0.918514356752716
Energy: 0.958760454018342
Energy: 0.9185069899035017
Energy: 0.9184826685834596
Energy: 1.4587158864039462
Energy: 0.9184826685834596
Energy: 1.0028943959185712
Energy: 0.9582290225255183
Energy: 1.3214034659962812
Energy: 0.9582290225255183
Energy: 1.9185110561258134
Energy: 0.8810222844315153
Energy: 0.8809076842900284
Energy: 0.8810222844315153
Energy: 1.0042562189454427
Energy: 0.9991173729955987
Energy: 1.3222978307140874
Energy: 0.9991173729955987
Energy: 1.0042022119267116
Energy: 0.9185291423982408
Energy: 1.7836312285230098
Energy: 0.9185291423982408
Energy: 1.0260173447576197
Energy: 0.8811001806169915
Energy: 1.376315891058606
Energy: 0.8811001806169915
Energy: 1.0260173447589824
Energy: 0.8809907611088935
Energy: 1.3763079558382125
Energy: 0.8809907611088935
Energy: 1.0041958016817818
Energy: 0.918523515277704
Energy: 1.7836921374651542
Energy: 0.918523515277704
Energy: 1.0042972096837717
Energy: 0.9979467613891692
Energy: 1.3223282935870055
Energy: 0.9979467613891692
Energy: 1.9185110561258134
Energy: 0.8810399223292833
Energy: 0.8809053633030354
Energy: 0.8810399223292833
Energy: 0.9421251858325325
Energy: 0.9581728363603412
Energy: 1.321447847968337
Energy: 0.9581728363603412
Energy: 0.9185083729673664
Energy: 0.9184816289614055
Energy: 1.458715886405341
Energy: 0.9184816289614055
Energy: 1.002891673145151
Energy: 0.958834748459665
Energy: 0.9185161582283403
Energy: 0.958834748459665
Energy: 1.3188832176759588
Energy: 0.918511764468664
Energy: 0.9185010432421452
Energy: 0.918511764468664
Energy: 0.8808538676273591
Energy: 0.9187519549364503
Energy: 1.4881735830294467
Energy: 0.9187519549364503
Energy: 0.8808382228727955
Energy: 0.9190001509253203
Energy: 1.1553055154453495
Energy: 0.9190001509253203
Energy: 1.318723433958963
Energy: 0.9415410494006498
Energy: 0.9416679727810793
Energy: 0.9415410493992553
Energy: 1.2801949503493986
Energy: 0.9584713726237151
Energy: 1.155930329695338
Energy: 0.9584713726223207
Energy: 1.4848874201340703
Energy: 0.9035380487840998
Energy: 0.9695214012192176
Energy: 0.9035380487840998
Energy: 1.2801956733952409
Energy: 0.958581673442769
Energy: 1.155930329695338
Energy: 0.958581673442769
Energy: 1.3187650521922856
Energy: 0.9415944712848846
Energy: 0.9417388597564755
Energy: 0.9415944712848846
Energy: 0.8808396520771548
Energy: 0.9190255393936869
Energy: 1.1553055154439549
Energy: 0.9190255393936869

minimum gb energy = 0.8808382228727955 eV
minimum distance =  2.32520535638891 Angstroms
sigma value = 25


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

Energy: 1.2848553650583754
Energy: 0.9698724401784444
Energy: 1.0157415641144658
Energy: 0.9698724401784444
Energy: 1.3932472473381767
Energy: 0.9474127832647089
Energy: 1.2155440837389246
Energy: 0.9474127832647089
Energy: 1.4552679119902132
Energy: 1.0072263047786385
Energy: 1.0084922260271982
Energy: 1.0072263047786385
Energy: 1.2078325187907577
Energy: 0.9454915586267482
Energy: 1.126293433219515
Energy: 0.9454915586267482
Energy: 1.2069831528539137
Energy: 0.9456480503210202
Energy: 1.225528828082389
Energy: 0.9456480503210202
Energy: 1.4328522069644196
Energy: 0.9474231702348872
Energy: 0.947293339142951
Energy: 0.9474231702348872
Energy: 0.9848301516068603
Energy: 0.9729671943150632
Energy: 0.9472600050699964
Energy: 0.9729671943150632
Energy: 0.9560757886419583
Energy: 0.9845944449170179
Energy: 1.7993209571664144
Energy: 0.9845944449170179
Energy: 1.0782221512510755
Energy: 1.0370236118513516
Energy: 1.191053270978918
Energy: 1.0370236118497307
Energy: 1.0835019603116136
Energy: 0.9333185413092251
Energy: 1.2603997846299115
Energy: 0.9333185413092251
Energy: 1.0837541216819997
Energy: 1.0361802517857879
Energy: 1.411899087412592
Energy: 1.0361802517874088
Energy: 1.0472758045597184
Energy: 0.9845100834191574
Energy: 1.4078285458620399
Energy: 0.9845100834191574
Energy: 1.0487071552909153
Energy: 0.9333287199279647
Energy: 1.2589152400298915
Energy: 0.9333287199279647
Energy: 1.0779640294189323
Energy: 1.0368893346943684
Energy: 1.1908755242082356
Energy: 1.0368893346943684
Energy: 0.9846633557427775
Energy: 0.9846915627339786
Energy: 1.7996289502186475
Energy: 0.9846915627339786
Energy: 0.9847663358026909
Energy: 0.9454880349363693
Energy: 0.9473097450421395
Energy: 0.9454880349379904
Energy: 1.7629806496407379
Energy: 0.947359891187171
Energy: 0.9471672595230948
Energy: 0.947359891187171
Energy: 1.2066677172123739
Energy: 0.9456535785609254
Energy: 1.2271769057592066
Energy: 0.9456535785625463
Energy: 1.1052258716433303
Energy: 0.9455006727962795
Energy: 1.1263200086656033
Energy: 0.9455006727979004
Energy: 1.185933871728976
Energy: 0.947075933524236
Energy: 0.9935861107609499
Energy: 0.947075933525857
Energy: 1.3930175091368748
Energy: 0.9476187237986958
Energy: 1.007258196913112
Energy: 0.9476187237986958
Energy: 1.2566157324879286
Energy: 0.9356260979518162
Energy: 1.049205068537807
Energy: 0.9356260979518162
Energy: 1.3948430465690635
Energy: 1.0242933160359156
Energy: 1.1268628821244568
Energy: 1.0242933160359156
Energy: 1.5999906453913475
Energy: 1.0071566275935118
Energy: 1.007613920917692
Energy: 1.0071566275951327
Energy: 1.207219560805712
Energy: 0.9457335839378954
Energy: 0.984471363905086
Energy: 0.9457335839395163

minimum gb energy = 0.9333185413092251 eV
minimum distance =  2.33717705804747 Angstroms
sigma value = 9


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

Energy: 1.1687591840511669
Energy: 1.1660951736014349
Energy: 1.0745635273846001
Energy: 1.1660951736020062
Energy: 1.1546063205034254
Energy: 1.0402789558764696
Energy: 0.9959938475450749
Energy: 1.0402789558766676
Energy: 1.2989468904459989
Energy: 1.0286320561048803
Energy: 1.0286925037754509
Energy: 1.0286320561048803
Energy: 1.2188158704134102
Energy: 0.9975843614685802
Energy: 0.9955798726104673
Energy: 0.9975843614684043
Energy: 1.1915793449935703
Energy: 0.9976030286080475
Energy: 1.1976653158729025
Energy: 0.9976030286082453
Energy: 1.7051880092434928
Energy: 0.9977112799968462
Energy: 1.2189892994955904
Energy: 0.997711279997022
Energy: 1.0288439432269336
Energy: 1.0283877130090697
Energy: 1.1898133278945926
Energy: 1.0283877130084766
Energy: 1.116125987547334
Energy: 1.1159350259495473
Energy: 1.5550397075867377
Energy: 1.1159350259501406
Energy: 1.3407422306574825
Energy: 1.087817973478553
Energy: 0.922705467442663
Energy: 1.087817973478553
Energy: 1.244266652235453
Energy: 0.9227170298799525
Energy: 0.9226364681990682
Energy: 0.9227170298797767
Energy: 0.9985449331765859
Energy: 0.9838082445528064
Energy: 1.5582718843624106
Energy: 0.9838082445533778
Energy: 1.1304220416554074
Energy: 0.9227291667227844
Energy: 1.298905954841819
Energy: 0.9227291667225865
Energy: 1.3404149806605097
Energy: 1.2154388327061818
Energy: 1.223654962487575
Energy: 1.215438832706951
Energy: 1.281753446525188
Energy: 1.0255784605654563
Energy: 1.1892063813973106
Energy: 1.0255784605654563
Energy: 1.2236993646399372
Energy: 1.2155166329609683
Energy: 1.469827227711477
Energy: 1.2155166329611662
Energy: 1.1914291830001538
Energy: 0.9226404638136854
Energy: 1.0289724341312183
Energy: 0.9226404638138831
Energy: 1.5690964376125685
Energy: 0.9978287287693931
Energy: 0.9979468746430519
Energy: 0.9978287287689976
Energy: 1.1674485117851208
Energy: 1.164970800806464
Energy: 1.209392684833949
Energy: 1.1649708008060686
Energy: 1.1544661071311615
Energy: 0.9977506497228699
Energy: 1.3572694285855522
Energy: 0.997750649722694
Energy: 1.5688480426462743
Energy: 1.0286217882631632
Energy: 1.0286096268884868
Energy: 1.0286217882637347
Energy: 1.1895453097091826
Energy: 0.9977473119156732
Energy: 0.9979206628270332
Energy: 0.9977473119162663

minimum gb energy = 0.9226364681990682 eV
minimum distance =  2.30734419229418 Angstroms
sigma value = 25


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

Energy: 1.051332443080025
Energy: 1.7011997168554702
Energy: 1.2482527589980585
Energy: 1.7011997168554702
Energy: 1.4864956983381812
Energy: 1.1528328570028885
Energy: 1.138439576418127
Energy: 1.152832857003133
Energy: 1.373477909580018
Energy: 1.094287837105057
Energy: 1.094638461862074
Energy: 1.094287837105057
Energy: 1.0410534225406736
Energy: 1.1169713977613045
Energy: 1.0423400694145077
Energy: 1.1169713977617937
Energy: 1.2587454499726816
Energy: 0.9842684077709968
Energy: 1.4630802159689367
Energy: 0.9842684077698011
Energy: 1.6328154980825769
Energy: 1.055529551888284
Energy: 1.0555403702729458
Energy: 1.055529551888284
Energy: 1.2879587791206581
Energy: 1.1171907027560752
Energy: 1.055244606686562
Energy: 1.1171907027556134
Energy: 1.2198500877906
Energy: 1.1627684987609215
Energy: 1.5555660945193786
Energy: 1.162768498761166
Energy: 1.2447796677698337
Energy: 1.0552234899748059
Energy: 1.0554938438523902
Energy: 1.0552234899750506
Energy: 1.3062879041896638
Energy: 1.055297226317304
Energy: 1.055645686921491
Energy: 1.0552972263170868
Energy: 1.116869956152414
Energy: 1.1170162918703312
Energy: 1.426259308818105
Energy: 1.1170162918700868
Energy: 1.1167795397751628
Energy: 1.0550893832655948
Energy: 1.0939639252578188
Energy: 1.0550893832651327
Energy: 1.3745019355970043
Energy: 1.094320910018567
Energy: 1.094902941118332
Energy: 1.0943209100190558
Energy: 1.5076057118573376
Energy: 1.1101323785623647
Energy: 1.4441683164921595
Energy: 1.1101323785623647
Energy: 1.2795034964554026
Energy: 0.9835678388125366
Energy: 1.4402022961441003
Energy: 0.983567838812754
Energy: 1.486126483821491
Energy: 1.0463626057201603
Energy: 1.0941681723232606
Energy: 1.0463626057201603
Energy: 1.1170877327785578
Energy: 1.0549839131036658
Energy: 1.0957755769978856
Energy: 1.0549839131031766

minimum gb energy = 0.9835678388125366 eV
minimum distance =  2.29732381599033 Angstroms
sigma value = 17


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

Energy: 1.5104182235162433
Energy: 1.4867022143477973
Energy: 1.3338793553606487
Energy: 1.4867022143477973
Energy: 1.4038114356863969
Energy: 1.326562689654251
Energy: 1.2422769288717348
Energy: 1.326562689654251
Energy: 1.341954149851874
Energy: 1.1573838546104367
Energy: 1.1457441554381067
Energy: 1.1573838546104367
Energy: 1.1422897077654843
Energy: 1.1410785115137867
Energy: 1.189944937029542
Energy: 1.1410785115137867
Energy: 1.1756168181251676
Energy: 1.1674073737272765
Energy: 1.3542822193063664
Energy: 1.1674073737272765
Energy: 1.422207426256616
Energy: 1.073487405141371
Energy: 1.1218858933171267
Energy: 1.0734874051400167
Energy: 1.3044670962698823
Energy: 1.1410685462481849
Energy: 1.3492943130213082
Energy: 1.1410685462481849
Energy: 1.1788406976983827
Energy: 1.119935774686282
Energy: 1.431799748553121
Energy: 1.119935774686282
Energy: 1.1617711606406207
Energy: 1.1519638129654002
Energy: 1.1005074048256471
Energy: 1.1519638129640457
Energy: 1.4509456865130894
Energy: 1.0756104117057959
Energy: 1.2352232585520941
Energy: 1.0756104117057959
Energy: 1.1280238765834396
Energy: 1.1279496942739087
Energy: 1.4433468824680957
Energy: 1.1279496942739087
Energy: 1.1280647902009464
Energy: 1.1522900502187265
Energy: 1.2429756308228304
Energy: 1.152290050220081
Energy: 1.3839962857662698
Energy: 1.1782139444244812
Energy: 1.2300588354656457
Energy: 1.1782139444244812
Energy: 1.1279467827450806
Energy: 1.1279069558630141
Energy: 1.2418567829125435
Energy: 1.1279069558643686
Energy: 1.1281118834407948
Energy: 1.0963318992507596
Energy: 1.4391581151696295
Energy: 1.0963318992521138
Energy: 1.455638266298197
Energy: 1.1520358399974904
Energy: 1.0994201220066413
Energy: 1.1520358399974904
Energy: 1.178604797614491
Energy: 1.0963057785986452
Energy: 1.1520786822868307
Energy: 1.0963057785986452
Energy: 1.1589908787910574
Energy: 1.192730365966728
Energy: 1.350590316337259
Energy: 1.192730365966728
Energy: 1.304325596322369
Energy: 1.0740036384325549
Energy: 1.393654650035469
Energy: 1.0740036384325549
Energy: 1.532474531127523
Energy: 1.0735521913399055
Energy: 1.396493694527993
Energy: 1.0735521913399055
Energy: 1.1199264910813727
Energy: 1.1929591677385465
Energy: 1.4049728311912584
Energy: 1.1929591677385465
Energy: 1.1200306467282826
Energy: 1.20627242128149
Energy: 1.1576251447121326
Energy: 1.20627242128149
Energy: 1.3708378529396472
Energy: 1.1572824539504132
Energy: 1.1346561499001924
Energy: 1.1572824539517679
Energy: 1.3848754334754427
Energy: 1.1240117175221465
Energy: 1.4505686739803152
Energy: 1.1240117175221465
Energy: 1.3821930089264143
Energy: 1.1242004748123597
Energy: 1.4501805621804695
Energy: 1.1242004748123597
Energy: 1.4040011016077318
Energy: 1.1574445880589765
Energy: 1.1574248339730637
Energy: 1.1574445880589765
Energy: 1.1200023580921432
Energy: 1.152501550335323
Energy: 1.158002810952747
Energy: 1.152501550335323
Energy: 1.1203775318416058
Energy: 1.1198109405270502
Energy: 1.4249023850280826
Energy: 1.1198109405270502
Energy: 1.3855795794988517
Energy: 1.0749884370428704
Energy: 1.39342295530398
Energy: 1.0749884370428704
Energy: 1.3042140516446605
Energy: 1.073454749895661
Energy: 1.1202262469970314
Energy: 1.0734547498943068

minimum gb energy = 1.0734547498943068 eV
minimum distance =  2.28953148900642 Angstroms
sigma value = 53


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

Energy: 1.14060542174157
Energy: 1.140844125083409
Energy: 1.4023219998541696
Energy: 1.1408441250837278
Energy: 1.2530650033970263
Energy: 1.3005989641054945
Energy: 1.253159991168734
Energy: 1.3005989641054945
Energy: 1.639313105363858
Energy: 1.291847076662808
Energy: 1.2935856179933376
Energy: 1.291847076662808
Energy: 1.2935695085071746
Energy: 1.2918791459724037
Energy: 1.6392406863339781
Energy: 1.2918791459724037
Energy: 1.2531606042402066
Energy: 1.3005759454664647
Energy: 1.25307174094448
Energy: 1.3005759454661459
Energy: 2.6553637329883926
Energy: 1.1408441250837278
Energy: 1.1406054217424912
Energy: 1.1408441250837278
Energy: 1.253159991169053
Energy: 1.3005989641058133
Energy: 1.2530650033967077
Energy: 1.3005989641058133
Energy: 1.293585617993621
Energy: 1.291847076662808
Energy: 1.639313105363539
Energy: 1.291847076662808
Energy: 1.6392406863327027
Energy: 1.2918791459727226
Energy: 1.2935695085074934
Energy: 1.2918791459727226
Energy: 1.2530717409447991
Energy: 1.3005759454664647
Energy: 1.2531606042398877
Energy: 1.3005759454661459
Energy: 1.14060542174157
Energy: 1.1408441250837278
Energy: 1.402321999154775
Energy: 1.140844125083409
Energy: 1.2530650033967077
Energy: 1.3005989641058133
Energy: 1.253159991168734
Energy: 1.3005989641054945
Energy: 1.6393131053632202
Energy: 1.2918470766624892
Energy: 1.293585617993621
Energy: 1.2918470766630916

minimum gb energy = 1.14060542174157 eV
minimum distance =  2.38486164179701 Angstroms
sigma value = 9


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

Energy: 1.3255441014527112
Energy: 1.2346438859740407
Energy: 1.4631031552925815
Energy: 1.2346438859740407
Energy: 1.5068149822495405
Energy: 1.4118924511052253
Energy: 1.4022180655301026
Energy: 1.4118924511052253
Energy: 1.283665708039071
Energy: 1.201915035576988
Energy: 1.2021537252001517
Energy: 1.2019150355758341
Energy: 1.2172090074042836
Energy: 1.2315974975790818
Energy: 1.3608573637133121
Energy: 1.2315974975779278
Energy: 1.2896779228102515
Energy: 1.1840109017018665
Energy: 1.514752613863123
Energy: 1.1840109017018665
Energy: 1.5459882280097188
Energy: 1.337832320995489
Energy: 1.3241572924973135
Energy: 1.3378323209966427
Energy: 1.359982723179387
Energy: 1.2804225466392127
Energy: 1.536222607481234
Energy: 1.2804225466380588
Energy: 1.1846559394180813
Energy: 1.2295539608863137
Energy: 1.302814523110002
Energy: 1.2295539608863137
Energy: 1.2809268734844186
Energy: 1.2024940764023802
Energy: 1.248375547970925
Energy: 1.2024940764012262
Energy: 1.3343777188674832
Energy: 1.2024172412848648
Energy: 1.3298349631195898
Energy: 1.2024172412848648
Energy: 1.2022450431626484
Energy: 1.3486295068429668
Energy: 1.535695935007847
Energy: 1.3486295068418128
Energy: 1.5594040438079357
Energy: 1.3243548336478916
Energy: 1.31528821026545
Energy: 1.3243548336490456
Energy: 1.2833558235912468
Energy: 1.2089284526823203
Energy: 1.2119046612298376
Energy: 1.2089284526823203
Energy: 1.2884729009655178
Energy: 1.3665995907604098
Energy: 1.4237262423374673
Energy: 1.3665995907604098
Energy: 1.2929422652044222
Energy: 1.2301268146620594
Energy: 1.209173795762834
Energy: 1.2301268146620594
Energy: 1.5291029182860318
Energy: 1.209031868945339
Energy: 1.214555933447626
Energy: 1.209031868945339
Energy: 1.3891778959581464
Energy: 1.2098601202812904
Energy: 1.5718181327107819
Energy: 1.2098601202801362
Energy: 1.204336721045037
Energy: 1.3487585864549314
Energy: 1.3264105785578588
Energy: 1.3487585864549314
Energy: 1.5541775501730968
Energy: 1.3162848491033212
Energy: 1.263907119368483
Energy: 1.3162848491033212
Energy: 1.2295621591029497
Energy: 1.209503312395029
Energy: 1.2446609125311572
Energy: 1.209503312396183
Energy: 1.1836763592751998
Energy: 1.2297878707067778
Energy: 1.6806462461687075
Energy: 1.2297878707044698
Energy: 1.5186466279988118
Energy: 1.184573239745335
Energy: 1.3215794268171213
Energy: 1.184573239746489
Energy: 1.4122210392702523
Energy: 1.3596812376130094
Energy: 1.3230231081308657
Energy: 1.3596812376153176
Energy: 1.292535829343423
Energy: 1.3397600111701655
Energy: 1.6567317429728
Energy: 1.3397600111690113
Energy: 1.2160644796081161
Energy: 1.230013749566471
Energy: 1.2018397634617148
Energy: 1.230013749566471
Energy: 1.6158671405070726
Energy: 1.2622886677079617
Energy: 1.2019934746790344
Energy: 1.2622886677102696
Energy: 1.4145165083544222
Energy: 1.1776482710821528
Energy: 1.5515591474434656
Energy: 1.1776482710809988
Energy: 1.3238204067005703
Energy: 1.1780189475843224
Energy: 1.5513853853269062
Energy: 1.1780189475843224
Energy: 1.695532124507129
Energy: 1.2631831799433264
Energy: 1.2475122024821674
Energy: 1.2631831799433264
Energy: 1.2159294868569102
Energy: 1.2311026045754665
Energy: 1.2019489476102772
Energy: 1.2311026045754665
Energy: 1.283621032980508
Energy: 1.2849266453971497
Energy: 1.7248291908221611
Energy: 1.2849266453971497
Energy: 1.4125815999253892
Energy: 1.1849151184848443
Energy: 1.3259145741306415
Energy: 1.1849151184848443
Energy: 1.5887482630056526
Energy: 1.184869364180639
Energy: 1.321413013073471
Energy: 1.184869364180639
Energy: 1.1837884720585667
Energy: 1.229799134605744
Energy: 1.680865883239603
Energy: 1.229799134605744
Energy: 1.2296076678940446
Energy: 1.2095510615381233
Energy: 1.2443767463831945
Energy: 1.2095510615381233

minimum gb energy = 1.1776482710809988 eV
minimum distance =  2.23938593028038 Angstroms
sigma value = 73


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

Energy: 1.369693219491477
Energy: 1.369099268381107
Energy: 1.4893632398647056
Energy: 1.3690992683807324
Energy: 1.4062195630462369
Energy: 1.254668974697908
Energy: 1.3373248053046818
Energy: 1.2546689746973674
Energy: 1.321581638548558
Energy: 1.272524387373829
Energy: 1.1809273956487483
Energy: 1.27252438737437
Energy: 1.2411002577016066
Energy: 1.2020338634608942
Energy: 1.3757881728170491
Energy: 1.2020338634610812
Energy: 1.4367680869603623
Energy: 1.2019688235135302
Energy: 1.394207971598761
Energy: 1.2019688235144457
Energy: 1.6354777441813173
Energy: 1.3974807919714738
Energy: 1.175729094911752
Energy: 1.397480791971661
Energy: 1.2723821407460052
Energy: 1.3549226898365483
Energy: 1.4929220301187116
Energy: 1.3549226898367357
Energy: 1.2025625733019067
Energy: 1.2018849995892853
Energy: 1.3443949750242976
Energy: 1.2018849995892853
Energy: 1.5322634072642738
Energy: 1.2726359942412486
Energy: 1.3350605474517245
Energy: 1.2726359942410614
Energy: 1.2023650901762766
Energy: 1.2726238127470562
Energy: 1.339699032928352
Energy: 1.2726238127466818
Energy: 1.2022686564023815
Energy: 1.2020342380614024
Energy: 1.3459181488035359
Energy: 1.2020342380612152
Energy: 1.556953750428868
Energy: 1.2024452838488329
Energy: 1.4297766143560322
Energy: 1.2024452838489994
Energy: 1.4292616046946867
Energy: 1.4035577336488647
Energy: 1.175842313056214
Energy: 1.4035577336488647
Energy: 1.274415981613135
Energy: 1.3914143238867505
Energy: 1.6837570067846483
Energy: 1.3914143238865633
Energy: 1.240573672988974
Energy: 1.2023401044765656
Energy: 1.2725109869288898
Energy: 1.202340104476753
Energy: 1.6131114007689147
Energy: 1.2730248678985074
Energy: 1.1811994377397808
Energy: 1.273024867898882
Energy: 1.3546179627957287
Energy: 1.1772573706412934
Energy: 1.6413165555583913
Energy: 1.1772573706416678
Energy: 1.355032142756507
Energy: 1.1758410510201507
Energy: 1.640542020971341
Energy: 1.175841051020317
Energy: 1.6440856045795855
Energy: 1.2730394051703937
Energy: 1.272828638485048
Energy: 1.2730394051703937
Energy: 1.2405582120287222
Energy: 1.2024013603402075
Energy: 1.1811156812338748
Energy: 1.202401360340582
Energy: 1.321847835523723
Energy: 1.3830320837492869
Energy: 1.684599612473023
Energy: 1.3830320837492869
Energy: 1.4293437598442753
Energy: 1.2022222154989401
Energy: 1.1758646012046674
Energy: 1.202222215499481

minimum gb energy = 1.175729094911752 eV
minimum distance =  2.23930501612527 Angstroms
sigma value = 7


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

Energy: 1.564898489490567
Energy: 1.4121857365027022
Energy: 1.4969396562861716
Energy: 1.4121857365027022
Energy: 1.4592585956007007
Energy: 1.2663013238943406
Energy: 1.3522005944167794
Energy: 1.2663013238943406
Energy: 1.2775895635527894
Energy: 1.2379929465419508
Energy: 1.2390232815951114
Energy: 1.2379929465419508
Energy: 1.2819447571853344
Energy: 1.1768761261532943
Energy: 1.3448479705879606
Energy: 1.1768761261532943
Energy: 1.3906472340243379
Energy: 1.238120434738594
Energy: 1.1766008880421217
Energy: 1.238120434738594
Energy: 1.8012167738345142
Energy: 1.1765177140545682
Energy: 1.177838572113408
Energy: 1.1765177140532732
Energy: 1.2289930034266563
Energy: 1.3030837025528883
Energy: 1.5723860270392405
Energy: 1.3030837025515938
Energy: 1.1778630424368812
Energy: 1.176571148654353
Energy: 1.3859721260337414
Energy: 1.176571148654353
Energy: 1.6248864910297278
Energy: 1.238736980660294
Energy: 1.3317744270369167
Energy: 1.238736980660294
Energy: 1.2378060419461014
Energy: 1.17695103721265
Energy: 1.2823705313086504
Energy: 1.17695103721265
Energy: 1.2378930694418726
Energy: 1.2385712482672606
Energy: 1.5200595427033836
Energy: 1.2385712482672606
Energy: 1.7249639366269154
Energy: 1.1770364139443983
Energy: 1.4229095829723282
Energy: 1.177036413945693
Energy: 1.7207575764946517
Energy: 1.1768722805922063
Energy: 1.4233220954373265
Energy: 1.1768722805922063
Energy: 1.238601329666351
Energy: 1.2393595679430607
Energy: 1.6736854269612018
Energy: 1.2393595679430607
Energy: 1.237778961529825
Energy: 1.1772250588026754
Energy: 1.2772583802173105
Energy: 1.1772250588026754
Energy: 1.6473370964224958
Energy: 1.3661024385022027
Energy: 1.2821000493289156
Energy: 1.3661024385022027
Energy: 1.1764608398951195
Energy: 1.1771534878981122
Energy: 1.3858181005544077
Energy: 1.1771534878981122
Energy: 1.1764980093264206
Energy: 1.2382032007486146
Energy: 1.602482669104231
Energy: 1.2382032007486146
Energy: 1.8104645813335232
Energy: 1.1770480858056953
Energy: 1.176596689053049
Energy: 1.1770480858056953
Energy: 1.3944275706702902
Energy: 1.2383609002786815
Energy: 1.176689507930855
Energy: 1.2383609002786815
Energy: 1.2776036312946049
Energy: 1.2821261751800468
Energy: 1.3993605288695228
Energy: 1.2821261751800468
Energy: 1.277515675356733
Energy: 1.2380944800742921
Energy: 1.241433094216148
Energy: 1.2380944800729974
Energy: 1.4584505714400373
Energy: 1.2827516290951066
Energy: 1.2841600881594333
Energy: 1.2827516290964012
Energy: 1.421784677498125
Energy: 1.1771127290616028
Energy: 1.7189942676426273
Energy: 1.1771127290628973
Energy: 1.4216939259379884
Energy: 1.1766935259495688
Energy: 1.279323950306318
Energy: 1.1766935259495688
Energy: 1.5142308507326516
Energy: 1.2379658378311407
Energy: 1.2411602117397962
Energy: 1.2379658378311407
Energy: 1.2786244447206339
Energy: 1.1768003279146613
Energy: 1.2383973520791631
Energy: 1.1768003279133665
Energy: 1.3941532126504683
Energy: 1.2381196192843962
Energy: 1.6231566414007041
Energy: 1.2381196192843962
Energy: 1.3862012876604626
Energy: 1.1767429506628515
Energy: 1.1766792571061744
Energy: 1.1767429506628515
Energy: 1.5626507242869432
Energy: 1.3005213815901346
Energy: 1.5626401872907363
Energy: 1.3005213815901346
Energy: 1.1766853873936292
Energy: 1.1767493431095444
Energy: 1.3862012876604626
Energy: 1.1767493431095444

minimum gb energy = 1.1764608398951195 eV
minimum distance =  2.26442137521184 Angstroms
sigma value = 29


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

Energy: 1.0572332522879897
Energy: 1.171014143984225
Energy: 1.5328388796611185
Energy: 1.171014143983799
Energy: 1.4865064216312727
Energy: 1.1556234628898958
Energy: 1.1690506258185862
Energy: 1.1556234628898958
Energy: 1.4838728805354398
Energy: 1.1402905341441432
Energy: 1.1410409829267654
Energy: 1.1402905341445693
Energy: 1.5880521274819779
Energy: 1.1716728174053892
Energy: 1.1406519994800322
Energy: 1.1716728174053892
Energy: 1.6315117168524178
Energy: 1.1405068605948543
Energy: 1.14055401528626
Energy: 1.140506860594403
Energy: 1.4823256664251814
Energy: 1.1411822298607346
Energy: 1.1404307463382939
Energy: 1.1411822298611605
Energy: 1.2543372478671115
Energy: 1.1403349582653644
Energy: 1.758071633310011
Energy: 1.1403349582653644
Energy: 1.0557850632140453
Energy: 1.1412193955086847
Energy: 1.7535672182147435
Energy: 1.1412193955086847
Energy: 1.5387450202022919
Energy: 1.170130468203513
Energy: 1.1704697045686128
Energy: 1.170130468203513

minimum gb energy = 1.0557850632140453 eV
minimum distance =  2.33186687487439 Angstroms
sigma value = 5


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

Energy: 1.2715489663060675
Energy: 1.163621842523916
Energy: 1.684457461404571
Energy: 1.163621842523916
Energy: 1.46405440978385
Energy: 1.1636953195107937
Energy: 1.2561826228975703
Energy: 1.1636953195107937
Energy: 1.271951482739797
Energy: 1.2833648770300645
Energy: 1.2046104921206644
Energy: 1.2833648770312875
Energy: 1.27171503825244
Energy: 1.2320226271905188
Energy: 1.3047799854586746
Energy: 1.2320226271905188
Energy: 1.1875331672358478
Energy: 1.2808086087749835
Energy: 1.1951143543314067
Energy: 1.2808086087737602
Energy: 1.3870556059795147
Energy: 1.3114213713366014
Energy: 1.1927858324773963
Energy: 1.3114213713378247
Energy: 1.2615403821965385
Energy: 1.2605613329688692
Energy: 1.3911516323729327
Energy: 1.2605613329688692
Energy: 1.2639922726866697
Energy: 1.257405916192073
Energy: 1.5172083180933218
Energy: 1.2574059161908502
Energy: 1.6080507737575405
Energy: 1.2166780285221053
Energy: 1.2465999522413982
Energy: 1.2166780285221053
Energy: 1.4698246588288222
Energy: 1.2177242526403231
Energy: 1.2494058790855325
Energy: 1.2177242526391
Energy: 1.2087890703684638
Energy: 1.2755293178608422
Energy: 1.2811476751576247
Energy: 1.2755293178608422
Energy: 1.210242766376896
Energy: 1.2749152575305762
Energy: 1.2241599049424847
Energy: 1.2749152575305762
Energy: 1.393135913687059
Energy: 1.2851170315501745
Energy: 1.22210116158881
Energy: 1.2851170315501745
Energy: 1.1722312020857926
Energy: 1.277871278537755
Energy: 1.2303219190951185
Energy: 1.277871278537755
Energy: 1.2068970201533415
Energy: 1.404813901517856
Energy: 1.3659515976084813
Energy: 1.404813901517856
Energy: 1.5871754561263423
Energy: 1.1729660653269427
Energy: 1.245772639158404
Energy: 1.1729660653281657
Energy: 1.358154537745468
Energy: 1.1836140538571827
Energy: 1.368572633728222
Energy: 1.1836140538571827
Energy: 1.2279188519540483
Energy: 1.254035726151827
Energy: 1.5196168389983713
Energy: 1.25403572615305
Energy: 1.2721570649912912
Energy: 1.1959688101297
Energy: 1.2760831489234867
Energy: 1.1959688101284767
Energy: 1.2292545816033877
Energy: 1.2816900152603483
Energy: 1.1990774725662323
Energy: 1.2816900152603483
Energy: 1.2299821678387421
Energy: 1.2700912691306652
Energy: 1.247943895527178
Energy: 1.2700912691306652
Energy: 1.3430526250735744
Energy: 1.2780663669808765
Energy: 1.1853619435700036
Energy: 1.2780663669808765
Energy: 1.2719447544466005
Energy: 1.276447737779229
Energy: 1.1879844748860107
Energy: 1.276447737778006
Energy: 1.3732886032105656
Energy: 1.2072050181716476
Energy: 1.5919449498194278
Energy: 1.2072050181728704
Energy: 1.3697546962731884
Energy: 1.2082218630214205
Energy: 1.6716860027322975
Energy: 1.2082218630214205
Energy: 1.3614676002785768
Energy: 1.2777249679167098
Energy: 1.1852050640071707
Energy: 1.2777249679154867
Energy: 1.3070135266467484
Energy: 1.2764487971815441
Energy: 1.1877208303456734
Energy: 1.2764487971815441
Energy: 1.2757683800488049
Energy: 1.230372747053193
Energy: 1.4825527509595369
Energy: 1.2303727470519703
Energy: 1.2306160129402286
Energy: 1.2754602322385236
Energy: 1.197152242078031
Energy: 1.2754602322385236
Energy: 1.38676916445483
Energy: 1.3906802271092151
Energy: 1.2543085492895447
Energy: 1.390680227110438
Energy: 1.2159075953886989
Energy: 1.254285256017138
Energy: 1.3994924641870345
Energy: 1.254285256015915
Energy: 1.2716298798785868
Energy: 1.1787769467226994
Energy: 1.4856837980232982
Energy: 1.1787769467214764
Energy: 1.7034722591829483
Energy: 1.1731981312692374
Energy: 1.2451867414239834
Energy: 1.1731981312680142

minimum gb energy = 1.163621842523916 eV
minimum distance =  2.2662485226964 Angstroms
sigma value = 1


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

Energy: 1.2562826505508256
Energy: 1.227488657167281
Energy: 1.6557007494598406
Energy: 1.227488657167281
Energy: 1.2433800171902645
Energy: 1.223021651580436
Energy: 1.2812007989069518
Energy: 1.223021651580436
Energy: 1.3629246464516116
Energy: 1.277550282969417
Energy: 1.34395196139696
Energy: 1.277550282969417
Energy: 1.2810377753966777
Energy: 1.2679546875758088
Energy: 1.2995102079661116
Energy: 1.2679546875758088
Energy: 1.1864779668509455
Energy: 1.206051014298281
Energy: 1.1867744451119517
Energy: 1.206051014298281
Energy: 1.1847130081978172
Energy: 1.1857091046120791
Energy: 1.184859183597194
Energy: 1.1857091046120791
Energy: 1.2896943412644275
Energy: 1.2664503874234962
Energy: 1.4281316948168756
Energy: 1.2664503874234962
Energy: 1.2898016186757344
Energy: 1.265775794880997
Energy: 1.4584833749952142
Energy: 1.265775794880997
Energy: 1.4008787598242094
Energy: 1.2062813633222245
Energy: 1.11761091075397
Energy: 1.2062813633205336
Energy: 1.4008787598242094
Energy: 1.2063528631277638
Energy: 1.1183661421451525
Energy: 1.2063528631277638
Energy: 1.2898939360849926
Energy: 1.2662303221518094
Energy: 1.4584833749952142
Energy: 1.2662303221535005
Energy: 1.2896499363092186
Energy: 1.2656716936314656
Energy: 1.4281316948168756
Energy: 1.2656716936314656
Energy: 1.1848228934932363
Energy: 1.1855036938627193
Energy: 1.1854288932472183
Energy: 1.1855036938610284
Energy: 1.1862631460797737
Energy: 1.205230321980956
Energy: 1.1866574957243097
Energy: 1.205230321980956
Energy: 1.2068039827238475
Energy: 1.2670319586511172
Energy: 1.2912271204370442
Energy: 1.2670319586511172
Energy: 1.3629246464499205
Energy: 1.2695929160712378
Energy: 1.3435182672022052
Energy: 1.2695929160712378
Energy: 1.2304065136912272
Energy: 1.1493609487820289
Energy: 1.2367419048427877
Energy: 1.1493609487820289
Energy: 1.2562826505508256
Energy: 1.227488657167281
Energy: 1.6557007496576093
Energy: 1.2274886571655896
Energy: 1.2433800171902645
Energy: 1.223021651580436
Energy: 1.2812007989069518
Energy: 1.223021651580436
Energy: 1.3629246464516116
Energy: 1.277550282969417
Energy: 1.34395196139696
Energy: 1.277550282969417
Energy: 1.2810377753966777
Energy: 1.2679546875758088
Energy: 1.2995102079661116
Energy: 1.2679546875758088
Energy: 1.1864779668509455
Energy: 1.206051014298281
Energy: 1.1867744451119517
Energy: 1.206051014298281
Energy: 1.1847130081978172
Energy: 1.1857091046120791
Energy: 1.184859183597194
Energy: 1.1857091046120791
Energy: 1.2896943412644275
Energy: 1.2664503874234962
Energy: 1.4281316948168756
Energy: 1.2664503874234962

minimum gb energy = 1.11761091075397 eV
minimum distance =  2.22695395498089 Angstroms
sigma value = 17


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

Energy: 1.3358738131916414
Energy: 1.2245276728387988
Energy: 1.8271114062480878
Energy: 1.2245276728398442
Energy: 1.3330952767032644
Energy: 1.1615634803926271
Energy: 1.286751514571952
Energy: 1.1615634803947175
Energy: 1.2510814250610183
Energy: 1.2550083650553814
Energy: 1.1703958293728776
Energy: 1.2550083650553814
Energy: 1.2569568774071447
Energy: 1.2018473142097277
Energy: 1.2961945763991314
Energy: 1.201847314211818
Energy: 1.2196603265319579
Energy: 1.2473646251438637
Energy: 1.2018234185879324
Energy: 1.2473646251428188
Energy: 1.2716508335198153
Energy: 1.2674777378692086
Energy: 1.2017667265782974
Energy: 1.2674777378692086
Energy: 1.1628272932462589
Energy: 1.2621196754095683
Energy: 1.2153756792749588
Energy: 1.2621196754095683
Energy: 1.161158304557478
Energy: 1.262216302631958
Energy: 1.2363625265938918
Energy: 1.2622163026309128
Energy: 1.4286528077016933
Energy: 1.220137636636801
Energy: 1.300876947016008
Energy: 1.2201376366347108
Energy: 1.4701422202734766
Energy: 1.2194640454890955
Energy: 1.3082538413599107
Energy: 1.21946404548596
Energy: 1.2102136363340827
Energy: 1.2259289693961977
Energy: 1.32910636615759
Energy: 1.225928969397243
Energy: 1.2079464673394993
Energy: 1.2257842395445906
Energy: 1.2778053502064135
Energy: 1.2257842395456358
Energy: 1.3128775147186709
Energy: 1.2672178274094712
Energy: 1.182402164762314
Energy: 1.2672178274094712
Energy: 1.2053943354465202
Energy: 1.247698386835477
Energy: 1.181520702143484
Energy: 1.247698386835477
Energy: 1.2018216079273545
Energy: 1.290762427635875
Energy: 1.1809081713636738
Energy: 1.2907624276348297
Energy: 1.204419111075001
Energy: 1.2620509121931645
Energy: 1.2002248914999347
Energy: 1.2620509121921195
Energy: 1.2974591545459024
Energy: 1.1751866080600986
Energy: 1.2655719526332294
Energy: 1.1751866080600986
Energy: 1.2040204613184955
Energy: 1.2498217942430003
Energy: 1.4747982062138703
Energy: 1.2498217942430003
Energy: 1.24930728290018
Energy: 1.1963945474611473
Energy: 1.317325913178328
Energy: 1.1963945474611473
Energy: 1.6022577615884583
Energy: 1.2227703752170802
Energy: 1.200927947681487
Energy: 1.2227703752149899
Energy: 1.2846982887630296
Energy: 1.377759719168238
Energy: 1.3771752370351538
Energy: 1.377759719168238
Energy: 1.224607422035278
Energy: 1.247556161560678
Energy: 1.2245569668154364
Energy: 1.2475561615617234
Energy: 1.266132243301773
Energy: 1.4033271364047326
Energy: 1.2540250216977178
Energy: 1.4033271364036874
Energy: 1.1741631964355135
Energy: 1.2621141151804764
Energy: 1.1815215477199978
Energy: 1.262114115179431
Energy: 1.1747157063976692
Energy: 1.2946965638422478
Energy: 1.355630573998343
Energy: 1.2946965638412025
Energy: 1.2516912199192414
Energy: 1.2480073429668277
Energy: 1.1547306564512565
Energy: 1.2480073429678726
Energy: 1.3345535392649686
Energy: 1.2480468876287172
Energy: 1.2172148263159426
Energy: 1.2480468876297623
Energy: 1.2949698966446286
Energy: 1.1892351630445641
Energy: 1.6451720161641845
Energy: 1.1892351630435187
Energy: 1.3001547233757498
Energy: 1.1885934752912004
Energy: 1.4904504475509188
Energy: 1.18859347528911
Energy: 1.2512848024754422
Energy: 1.2479211339317717
Energy: 1.1544989891794968
Energy: 1.2479211339328171
Energy: 1.253380449918182
Energy: 1.2480002034940525
Energy: 1.2175440283614507
Energy: 1.2480002034961428
Energy: 1.1739844703292033
Energy: 1.289688692573079
Energy: 1.201242889477446
Energy: 1.289688692573079
Energy: 1.1751072756323457
Energy: 1.2624859184824686
Energy: 1.1757229297850291
Energy: 1.2624859184814234
Energy: 1.2417554606884746
Energy: 1.2650425095208453
Energy: 1.2234259647554935
Energy: 1.2650425095208453
Energy: 1.160927479653957
Energy: 1.2483535376565158
Energy: 1.2449829493720714
Energy: 1.248353537657561
Energy: 1.2774371611774609
Energy: 1.1578505365493554
Energy: 1.2870206674570779
Energy: 1.1578505365504006
Energy: 1.6535347997103642
Energy: 1.2181433261296757
Energy: 1.2009483833686176
Energy: 1.2181433261307206
Energy: 1.2991011926616252
Energy: 1.1959934619688402
Energy: 1.335513163838852
Energy: 1.1959934619688402

minimum gb energy = 1.1544989891794968 eV
minimum distance =  2.26239064535031 Angstroms
sigma value = 89


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

Energy: 1.2477345317854651
Energy: 1.1647988542784702
Energy: 1.554030570742648
Energy: 1.1647988542787497
Energy: 1.1622726138171564
Energy: 1.2051922751252204
Energy: 1.269175886244905
Energy: 1.2051922751257798
Energy: 1.378207016009936
Energy: 1.1549669435222543
Energy: 1.0818085382408038
Energy: 1.154966943522534
Energy: 1.1491948366633506
Energy: 1.220555326054796
Energy: 1.2706313642668938
Energy: 1.2205553260553554
Energy: 1.1681020144952479
Energy: 1.219507708090362
Energy: 1.1910081133004993
Energy: 1.2195077080900825
Energy: 1.1417627969184878
Energy: 1.3995885857596544
Energy: 1.2492981402052752
Energy: 1.3995885857604624
Energy: 1.1446305399399466
Energy: 1.1550721125918788
Energy: 1.1910213854927838
Energy: 1.155072112591599
Energy: 1.1424569755680567
Energy: 1.2200049546611225
Energy: 1.4949266655100903
Energy: 1.2200049546608427
Energy: 1.378376938212665
Energy: 1.21940661285901
Energy: 1.0594976891842782
Energy: 1.219406612859818
Energy: 1.234906105315374
Energy: 1.2203155562884143
Energy: 1.0581610725222537
Energy: 1.2203155562884143
Energy: 1.1825963122960195
Energy: 1.1551932601252481
Energy: 1.4960290253877149
Energy: 1.1551932601255277
Energy: 1.1816974502977906
Energy: 1.1560442696628566
Energy: 1.4994375811374048
Energy: 1.156044269663416
Energy: 1.379256891241577
Energy: 1.219455137553929
Energy: 1.0595560136648388
Energy: 1.219455137553929
Energy: 1.3822857637622559
Energy: 1.220607368889941
Energy: 1.0580454500276775
Energy: 1.220607368889941
Energy: 1.143826241408337
Energy: 1.2199667890654617
Energy: 1.2551661753006131
Energy: 1.2199667890657104

minimum gb energy = 1.0580454500276775 eV
minimum distance =  2.26065636314041 Angstroms
sigma value = 13


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

Energy: 1.143850387332463
Energy: 1.140480985048225
Energy: 1.5410652182927558
Energy: 1.140480985048225
Energy: 1.2038789746009286
Energy: 1.1389627361146173
Energy: 1.0911130985929018
Energy: 1.1389627361146173
Energy: 1.258368071486147
Energy: 1.122909697789938
Energy: 1.1394357495637977
Energy: 1.1229096977887918
Energy: 1.1371431081522347
Energy: 1.1706848010801534
Energy: 1.1670349143717176
Energy: 1.1706848010790072
Energy: 1.0775237573703396
Energy: 1.154634587219963
Energy: 1.1642320285515313
Energy: 1.154634587219963
Energy: 1.1842908647481776
Energy: 1.1543464987036687
Energy: 1.1417403557327528
Energy: 1.1543464987036687
Energy: 1.1107911415238583
Energy: 1.123490659154541
Energy: 1.1212723162713656
Energy: 1.1234906591533949
Energy: 1.1131678414528072
Energy: 1.1777780592008713
Energy: 1.1088489258940122
Energy: 1.1777780592008713
Energy: 1.1579525014004537
Energy: 1.1546887716010144
Energy: 1.0669863431408442
Energy: 1.1546887716010144
Energy: 1.2492058356798879
Energy: 1.1548943078784186
Energy: 1.1563145836448685
Energy: 1.1548943078784186
Energy: 1.1094077567384037
Energy: 1.1232654443502303
Energy: 1.2512929297340076
Energy: 1.1232654443502303
Energy: 1.109744066804426
Energy: 1.1233051278621196
Energy: 1.2108008223641835
Energy: 1.1233051278621196
Energy: 1.2107657155765015
Energy: 1.1342191184483097
Energy: 1.1139235139814248
Energy: 1.1342191184483097
Energy: 1.1869829644017449
Energy: 1.1367738206202604
Energy: 1.2352888997228444
Energy: 1.1367738206202604
Energy: 1.1094120203094693
Energy: 1.1234821841875378
Energy: 1.2506061479058808
Energy: 1.1234821841875378
Energy: 1.1096270089519906
Energy: 1.1234448978346208
Energy: 1.258879489904169
Energy: 1.1234448978334746
Energy: 1.2114569514197489
Energy: 1.1547579483554486
Energy: 1.0669415902937573
Energy: 1.1547579483554486
Energy: 1.16425196948963
Energy: 1.1554224998315705
Energy: 1.1566789228447558
Energy: 1.1554224998315705
Energy: 1.110334415339177
Energy: 1.1236067575242676
Energy: 1.1138138496603833
Energy: 1.1236067575242676
Energy: 1.1138064091862547
Energy: 1.123575552008656
Energy: 1.11033516602374
Energy: 1.123575552008656
Energy: 1.1568555082770329
Energy: 1.155434758962926
Energy: 1.1644298270307096
Energy: 1.155434758962926
Energy: 1.0668871975155771
Energy: 1.1547512745793107
Energy: 1.2114569514186027
Energy: 1.1547512745781643
Energy: 1.2588794899075557
Energy: 1.123441944268637
Energy: 1.1096206022431552
Energy: 1.123441944268637
Energy: 1.250606147902442
Energy: 1.123458068548032
Energy: 1.109420731246079
Energy: 1.1234580685468858
Energy: 1.2353084298001933
Energy: 1.136778701972418
Energy: 1.1870266343948404
Energy: 1.1367787019735645
Energy: 1.113905992324604
Energy: 1.1342145501106025
Energy: 1.210765715575355
Energy: 1.1342145501106025
Energy: 1.2106843075541696
Energy: 1.1233113059590738
Energy: 1.1097366450544053
Energy: 1.1233113059602202
Energy: 1.2512929297328614
Energy: 1.1232550387270497
Energy: 1.1094108625679557
Energy: 1.1232550387270497
Energy: 1.1563085396200494
Energy: 1.15490069746935
Energy: 1.2493121072903393
Energy: 1.1549006974704963
Energy: 1.0669831215738141
Energy: 1.1546766943690894
Energy: 1.1579501577548599
Energy: 1.1546766943702358
Energy: 1.108849532543434
Energy: 1.178005849738745
Energy: 1.113175469873349
Energy: 1.1780058497375985
Energy: 1.1212794271023625
Energy: 1.123483582601762
Energy: 1.1108100526676017
Energy: 1.123483582601762
Energy: 1.1414186321952797
Energy: 1.154343408760367
Energy: 1.18421109712691
Energy: 1.154343408760367
Energy: 1.1642296644735615
Energy: 1.1546327732407902
Energy: 1.077530696946646
Energy: 1.1546327732419364
Energy: 1.1670479360570483
Energy: 1.171028672636075
Energy: 1.1374822215176292
Energy: 1.171028672636075

minimum gb energy = 1.0668871975155771 eV
minimum distance =  2.27844733628693 Angstroms
sigma value = 37


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

Energy: 1.1389307851432064
Energy: 1.0724704878576912
Energy: 1.445165002659538
Energy: 1.0724704878574896
Energy: 1.1575865148361604
Energy: 1.0958458973164422
Energy: 1.0890947980283694
Energy: 1.0958458973164422
Energy: 1.258029260739436
Energy: 1.0532936265575863
Energy: 1.0996294086181708
Energy: 1.0532936265570036
Energy: 1.1530910184949106
Energy: 1.0888812633645715
Energy: 1.0895306234654052
Energy: 1.088881263364168
Energy: 1.0696229923675313
Energy: 1.0493917728141788
Energy: 1.2242943660959005
Energy: 1.0493917728137756
Energy: 1.1415870368241268
Energy: 1.096905547292009
Energy: 1.1043859352992311
Energy: 1.0969055472914264
Energy: 1.0962821467090182
Energy: 1.0536579280170486
Energy: 1.0796833329162339
Energy: 1.0536579280166454
Energy: 1.136730669239834
Energy: 1.207069605348937
Energy: 1.1347754455807848
Energy: 1.2070696053487353
Energy: 1.1081392533418593
Energy: 1.0493587406054543
Energy: 1.0980970229720894
Energy: 1.049358740605073
Energy: 1.1413701145446287
Energy: 1.0950115749148375
Energy: 1.0986821905413544
Energy: 1.0950115749144342
Energy: 1.0363165985074458
Energy: 1.052660959025086
Energy: 1.2221437233270205
Energy: 1.0526609590248843
Energy: 1.0419738189939476
Energy: 1.09715564413636
Energy: 1.1661454698135831
Energy: 1.09715564413636
Energy: 1.2579738671568417
Energy: 1.0498140113208567
Energy: 1.0844207569680007
Energy: 1.0498140113214394
Energy: 1.0530614681628423
Energy: 1.0518574991135285
Energy: 1.0840996936452003
Energy: 1.0518574991135285
Energy: 1.0772737416311917
Energy: 1.0688439407326416
Energy: 1.2218578184554183
Energy: 1.0688439407326416
Energy: 1.0758495803782617
Energy: 1.0764850518830649
Energy: 1.1533632419256497
Energy: 1.0764850518826838
Energy: 1.257919700596356
Energy: 1.0499253220157483
Energy: 1.0846343283287825
Energy: 1.0499253220155467
Energy: 1.1104652405188435
Energy: 1.05312602539787
Energy: 1.0840147382540946
Energy: 1.0531260253980717
Energy: 1.036395773030634
Energy: 1.0527899331947466
Energy: 1.2218129140578966
Energy: 1.0527899331947466
Energy: 1.035726511707381
Energy: 1.0995412003070526
Energy: 1.222086560232653
Energy: 1.0995412003068732

minimum gb energy = 1.035726511707381 eV
minimum distance =  2.27511665731923 Angstroms
sigma value = 25


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

Energy: 1.0917920963391516
Energy: 0.9861650367267557
Energy: 1.320877504275545
Energy: 0.9861650367267557
Energy: 1.0330462788717918
Energy: 1.0264689938420375
Energy: 1.0387745099472356
Energy: 1.0264689938420375
Energy: 1.1207958420331408
Energy: 0.9685539429601484
Energy: 1.065849105228049
Energy: 0.9685539429601484
Energy: 0.9966224598450739
Energy: 0.9792480035041856
Energy: 1.05358371997545
Energy: 0.9792480035026458
Energy: 1.0236647532415832
Energy: 0.959795784723016
Energy: 1.1009656957508343
Energy: 0.9597957847214762
Energy: 0.9965779566548012
Energy: 0.9781335407396551
Energy: 1.0323718748764659
Energy: 0.9781335407396551
Energy: 1.0326664751171488
Energy: 0.9587693554482757
Energy: 1.026809404085438
Energy: 0.9587693554482757
Energy: 1.0295840575090713
Energy: 0.9835824208699124
Energy: 1.0518000777341832
Energy: 0.9835824208699124
Energy: 1.0104679873043394
Energy: 0.9596914223207459
Energy: 1.033894448285484
Energy: 0.9596914223207459
Energy: 1.0469067354912276
Energy: 1.0414481573741698
Energy: 1.0255692713534492
Energy: 1.0414481573741698
Energy: 0.9994084901786087
Energy: 0.9588877314593688
Energy: 1.0450335747969506
Energy: 0.958887731457829
Energy: 1.013632809972973
Energy: 0.9839346839448547
Energy: 1.0521601879764617
Energy: 0.9839346839448547
Energy: 1.036149971546031
Energy: 0.959674775677048
Energy: 0.9941324599010571
Energy: 0.959674775677048
Energy: 1.0864375606048098
Energy: 0.9831734604914533
Energy: 0.9730987650098187
Energy: 0.983173460492993
Energy: 0.9917825332882746
Energy: 0.9578188370962424
Energy: 1.1038200739605906
Energy: 0.9578188370962424
Energy: 0.9990564304873526
Energy: 0.9586965761394708
Energy: 1.038475671786725
Energy: 0.9586965761379309
Energy: 1.1168923962626778
Energy: 0.9664535413242846
Energy: 1.0122099328395093
Energy: 0.9664535413242846
Energy: 1.0024852872408494
Energy: 0.9986938431545973
Energy: 0.9863497525896743
Energy: 0.9986938431530574
Energy: 1.0379732133600488
Energy: 0.9838211327180095
Energy: 1.1012375603404467
Energy: 0.9838211327180095
Energy: 1.032948658343825
Energy: 0.9851144120609784
Energy: 1.0386963005408418
Energy: 0.9851144120609784
Energy: 1.1166005835693864
Energy: 0.9665741204487048
Energy: 1.012328678320078
Energy: 0.966574120447165
Energy: 1.050169277777671
Energy: 0.9790738425685531
Energy: 0.9885908950653333
Energy: 0.9790738425685531
Energy: 0.9916357067704045
Energy: 0.9579027132090984
Energy: 1.1011404510083664
Energy: 0.9579027132090984
Energy: 1.0205136773184638
Energy: 0.9584791712142906
Energy: 1.0332986431971445
Energy: 0.9584791712142906
Energy: 1.032855265615434
Energy: 0.9589380799355604
Energy: 0.9941413158121453
Energy: 0.9589380799355604
Energy: 1.0952482236228591
Energy: 0.9828677952173109
Energy: 0.9731414328169418
Energy: 0.9828677952173109

minimum gb energy = 0.9578188370962424 eV
minimum distance =  2.28292235173051 Angstroms
sigma value = 41


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

Energy: 1.0579709698921909
Energy: 0.9190001772875646
Energy: 1.1952290472507685
Energy: 0.9190001772863021
Energy: 0.9873391009478613
Energy: 0.9469620706427473
Energy: 0.9495774427427813
Energy: 0.9469620706440098
Energy: 1.0193442262910062
Energy: 0.8971923812263638
Energy: 1.0163408994492495
Energy: 0.8971923812276262
Energy: 0.9546660114355542
Energy: 0.933128782098552
Energy: 0.9494983856634156
Energy: 0.933128782098552
Energy: 1.0037444341885555
Energy: 0.8854105747798122
Energy: 1.0061941290692522
Energy: 0.8854105747798122
Energy: 0.9543655627989557
Energy: 0.9054845250134834
Energy: 0.9307315891567992
Energy: 0.905484525012221
Energy: 1.0111790702915606
Energy: 0.8814382822515674
Energy: 0.9747224558299108
Energy: 0.8814382822515674
Energy: 0.9528674744480444
Energy: 0.9105194326390924
Energy: 0.930452896663424
Energy: 0.9105194326403548
Energy: 0.9787258141965999
Energy: 0.8809376110063326
Energy: 0.9718792574395898
Energy: 0.8809376110075952
Energy: 0.9820077213427464
Energy: 0.9445128602580016
Energy: 0.9509126549780413
Energy: 0.9445128602580016
Energy: 0.9761750334479665
Energy: 0.8812782144781565
Energy: 0.963527856303711
Energy: 0.881278214479419
Energy: 0.965246536881999
Energy: 0.9288168659413308
Energy: 0.9804057047281108
Energy: 0.9288168659413308
Energy: 0.9848991288975595
Energy: 0.8810366894109705
Energy: 0.9546944918025901
Energy: 0.8810366894097079
Energy: 0.985474153815058
Energy: 0.8964742146117368
Energy: 0.9436438274898988
Energy: 0.8964742146117368
Energy: 0.9469456434523583
Energy: 0.8811360123234874
Energy: 0.976183399913508
Energy: 0.8811360123234874
Energy: 0.9183470064682777
Energy: 0.8958589867783635
Energy: 1.0001281602192118
Energy: 0.8958589867783635
Energy: 1.0156954448960394
Energy: 0.8809448382755305
Energy: 0.9436442685234215
Energy: 0.8809448382755305
Energy: 0.9512002953124281
Energy: 0.8811093573377604
Energy: 0.9327318551502686
Energy: 0.8811093573377604
Energy: 0.8885259364347311
Energy: 0.8850621558484336
Energy: 1.0078974388869824
Energy: 0.8850621558471711
Energy: 0.9247725916207634
Energy: 0.9177225271030762
Energy: 0.996398793867627
Energy: 0.917722527101814
Energy: 1.0172767992001144
Energy: 0.8963420309717522
Energy: 0.8965347799174956
Energy: 0.8963420309730147
Energy: 0.9909722787867877
Energy: 0.9197119439765405
Energy: 0.9467009067928702
Energy: 0.9197119439765405
Energy: 0.9929912346922899
Energy: 0.9180606899985867
Energy: 1.0094839997004121
Energy: 0.9180606899985867
Energy: 0.9603630587063947
Energy: 0.9213020919818851
Energy: 0.9965452114005903
Energy: 0.9213020919818851
Energy: 1.016573439160062
Energy: 0.8964640662558921
Energy: 0.8968350514994169
Energy: 0.8964640662571546
Energy: 0.951422617441367
Energy: 0.8983938185578292
Energy: 0.9466127997167286
Energy: 0.8983938185590915
Energy: 0.8883605042124155
Energy: 0.8852383350349903
Energy: 1.009226336425057
Energy: 0.8852383350349903
Energy: 0.9295069172837304
Energy: 0.8952253083191639
Energy: 0.9745163309959598
Energy: 0.8952253083191639
Energy: 1.0103941816949105
Energy: 0.8810748569365056
Energy: 0.9434983358091379
Energy: 0.881074856935243
Energy: 0.9533579330239503
Energy: 0.8810610051618666
Energy: 0.9337694161777337
Energy: 0.8810610051618666
Energy: 0.9468803861097697
Energy: 0.8814614379950033
Energy: 0.9710810360060032
Energy: 0.8814614379937408
Energy: 0.9290987146823257
Energy: 0.8956469462521802
Energy: 0.9773127531051087
Energy: 0.8956469462534427

minimum gb energy = 0.8809376110063326 eV
minimum distance =  2.2901216757169 Angstroms
sigma value = 15


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

Energy: 1.0056360126695887
Energy: 0.8570293179005632
Energy: 1.098403656739306
Energy: 0.8570293179016326
Energy: 0.9135870074072721
Energy: 0.8838019138418952
Energy: 0.9060901980292629
Energy: 0.8838019138408256
Energy: 0.9435465810025775
Energy: 0.8445796083677264
Energy: 0.9764966746261602
Energy: 0.844579608368796
Energy: 0.8902094093117934
Energy: 0.854825769636919
Energy: 0.9058954774107011
Energy: 0.854825769636919
Energy: 0.9584602036490532
Energy: 0.8311385518396679
Energy: 0.9332300963665654
Energy: 0.8311385518385983
Energy: 0.8900620156637313
Energy: 0.860239910377452
Energy: 0.8939263341434263
Energy: 0.8602399103785217
Energy: 0.9387445320633199
Energy: 0.8193566634139724
Energy: 0.9388903840434452
Energy: 0.8193566634139724
Energy: 0.8799874099890592
Energy: 0.8353518434860134
Energy: 0.8938344387187506
Energy: 0.8353518434849437
Energy: 0.9312168367385428
Energy: 0.8173158821486954
Energy: 0.9136781770472178
Energy: 0.817315882149765
Energy: 0.8796855856930983
Energy: 0.8362931314385194
Energy: 0.8952802010778275
Energy: 0.8362931314363805
Energy: 0.9169014621734597
Energy: 0.8172745967258989
Energy: 0.9149678653126941
Energy: 0.8172745967248294
Energy: 0.8936026831557542
Energy: 0.8580516487195567
Energy: 0.9259567711958921
Energy: 0.8580516487184873
Energy: 0.9177477235380981
Energy: 0.8174660769789234
Energy: 0.9030120606045187
Energy: 0.8174660769799927
Energy: 0.924053555164765
Energy: 0.8480373696648075
Energy: 0.8993321483040603
Energy: 0.8480373696658771
Energy: 0.9013501223642948
Energy: 0.8174282790432899
Energy: 0.9070862591604523
Energy: 0.8174282790422204
Energy: 0.8934160950869785
Energy: 0.8484081176795866
Energy: 0.8946550996558391
Energy: 0.8484081176795866
Energy: 0.9208967548280196
Energy: 0.8176095399669718
Energy: 0.8988466154288676
Energy: 0.8176095399669718
Energy: 0.9373478386260558
Energy: 0.8274278667903909
Energy: 0.8736276860639596
Energy: 0.8274278667903909
Energy: 0.9000972830351678
Energy: 0.8175623679704125
Energy: 0.917872979177301
Energy: 0.8175623679714819
Energy: 0.8825799406873907
Energy: 0.8372431357237876
Energy: 0.8904004817036683
Energy: 0.8372431357237876
Energy: 0.942901609005244
Energy: 0.8197708378015709
Energy: 0.8380287206304547
Energy: 0.8197708378026403
Energy: 0.9144343934494725
Energy: 0.8514119277810919
Energy: 0.8794181017888402
Energy: 0.8514119277800224
Energy: 0.8439980063943116
Energy: 0.8284815668795874
Energy: 0.9348248714057918
Energy: 0.8284815668785178
Energy: 0.8932772700880026
Energy: 0.8732401498457721
Energy: 0.9104172715824511
Energy: 0.8732401498468415
Energy: 0.941850707240773
Energy: 0.8412751795355499
Energy: 0.8583131544314646
Energy: 0.8412751795365707
Energy: 0.9160138557888523
Energy: 0.874572513318044
Energy: 0.900385746165389
Energy: 0.874572513318044
Energy: 0.8767590013145251
Energy: 0.8560487621648244
Energy: 0.9357920681741436
Energy: 0.8560487621658938
Energy: 0.9136284991223341
Energy: 0.8719219512089064
Energy: 0.9104861839848724
Energy: 0.871921951207837
Energy: 0.9467939972959115
Energy: 0.8414184655272422
Energy: 0.8588040193659356
Energy: 0.8414184655272422
Energy: 0.9141265305979539
Energy: 0.845769461216966
Energy: 0.9002163965413663
Energy: 0.8457694612180353
Energy: 0.844274319730598
Energy: 0.828493232721042
Energy: 0.93588174022686
Energy: 0.8284932327199725
Energy: 0.893022947567448
Energy: 0.8446705424350052
Energy: 0.8907763420342477
Energy: 0.8446705424339355
Energy: 0.9388897668438766
Energy: 0.8198390332977924
Energy: 0.8379569976697399
Energy: 0.8198390332988619
Energy: 0.9062130137882846
Energy: 0.8265535828373596
Energy: 0.8795644914135656
Energy: 0.8265535828394984
Energy: 0.9002515980643627
Energy: 0.8174357939894404
Energy: 0.9253519292691863
Energy: 0.8174357939894404
Energy: 0.8828980556651328
Energy: 0.8363984530962728
Energy: 0.8954527632156573
Energy: 0.8363984530973423
Energy: 0.9132364414769081
Energy: 0.8175418174537807
Energy: 0.8985774526062513
Energy: 0.8175418174548501

minimum gb energy = 0.8172745967248294 eV
minimum distance =  2.29654956452504 Angstroms
sigma value = 85


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

Energy: 0.9283976907930066
Energy: 0.8013625354782179
Energy: 1.0013058153214405
Energy: 0.8013625354782179
Energy: 0.8259309248742542
Energy: 0.7803514359975359
Energy: 0.8246660888001099
Energy: 0.7803514359975359
Energy: 0.8634748896475396
Energy: 0.7974965589663702
Energy: 0.9560953788932337
Energy: 0.7974965589663702
Energy: 0.8134645798077779
Energy: 0.7755851496812989
Energy: 0.8247273972486311
Energy: 0.7755851496812989
Energy: 0.9345737033589322
Energy: 0.7619382313398866
Energy: 0.8604572579736675
Energy: 0.7619382313398866
Energy: 0.8132941156902516
Energy: 0.6940480595909776
Energy: 0.8124064129697798
Energy: 0.6940480595919052
Energy: 0.8683739610800801
Energy: 0.7608896949625171
Energy: 0.9077113162257904
Energy: 0.7608896949634446
Energy: 0.8185152204377605
Energy: 0.7455014759950487
Energy: 0.8123790969156953
Energy: 0.7455014759950487
Energy: 0.8839934142371888
Energy: 0.7431611132376528
Energy: 0.8757341343624006
Energy: 0.7431611132376528
Energy: 0.8185077649915575
Energy: 0.7511694433614003
Energy: 0.8166679006347631
Energy: 0.7511694433604728
Energy: 0.8340280592603524
Energy: 0.7432555833568361
Energy: 0.8724190385882289
Energy: 0.7432555833568361
Energy: 0.8379373460199289
Energy: 0.7573266273720111
Energy: 0.816534405172161
Energy: 0.7573266273720111
Energy: 0.8468603200324779
Energy: 0.7420868545006999
Energy: 0.8447760299135192
Energy: 0.7420868545006999
Energy: 0.838002642990478
Energy: 0.7896220509075802
Energy: 0.8363589329573959
Energy: 0.7896220509075802
Energy: 0.8221013931099663
Energy: 0.7419220937775756
Energy: 0.8522511305606283
Energy: 0.7419220937766481
Energy: 0.8342764946695661
Energy: 0.786703015746011
Energy: 0.8369910430052467
Energy: 0.7867030157450833
Energy: 0.8284852115541786
Energy: 0.7420280841764354
Energy: 0.8370391386769376
Energy: 0.7420280841764354
Energy: 0.8375522424941941
Energy: 0.7867690883650904
Energy: 0.8363289163988776
Energy: 0.7867690883650904
Energy: 0.8307599280678962
Energy: 0.7419746479554618
Energy: 0.8527189807480771
Energy: 0.7419746479554618
Energy: 0.817073026263119
Energy: 0.7551616688920114
Energy: 0.8402435714511292
Energy: 0.7551616688920114
Energy: 0.8348081505792853
Energy: 0.7417335199125854
Energy: 0.8355111654024915
Energy: 0.7417335199125854
Energy: 0.8181323399479211
Energy: 0.75760741180377
Energy: 0.8164018022405103
Energy: 0.7576074118028424
Energy: 0.8429548362542288
Energy: 0.7417499104059816
Energy: 0.8735663643709016
Energy: 0.7417499104069092
Energy: 0.8107020544336748
Energy: 0.7785555147015197
Energy: 0.8188409009134131
Energy: 0.7785555147005924
Energy: 0.8684385537264089
Energy: 0.7607114090782401
Energy: 0.7796604632764551
Energy: 0.7607114090782401
Energy: 0.813458292665297
Energy: 0.7771555957173676
Energy: 0.8125274160207914
Energy: 0.7771555957173676
Energy: 0.79762764413296
Energy: 0.76157659569649
Energy: 0.8614247573126526
Energy: 0.7615765956974176
Energy: 0.8223168464105247
Energy: 0.7791563330017058
Energy: 0.8132023745851825
Energy: 0.7791563330026332
Energy: 0.8620802612752269
Energy: 0.7970379781226169
Energy: 0.8034786965782484
Energy: 0.7970379781235445
Energy: 0.8260793706310732
Energy: 0.7807991893493665
Energy: 0.8248949353318786
Energy: 0.7807991893493665
Energy: 0.8367433828352371
Energy: 0.8008741485916406
Energy: 0.862895132884734
Energy: 0.8008741485916406
Energy: 0.8516588667165004
Energy: 0.7857554843921687
Energy: 0.8135699721397386
Energy: 0.7857554843921687
Energy: 0.8614390789367732
Energy: 0.7970714986215713
Energy: 0.8022002706134016
Energy: 0.7970714986215713
Energy: 0.813510884167267
Energy: 0.7499843301205883
Energy: 0.8250347638890307
Energy: 0.7499843301205883
Energy: 0.7975396424529644
Energy: 0.7616164440164337
Energy: 0.8624294990823244
Energy: 0.7616164440164337
Energy: 0.8222489419754738
Energy: 0.7451354594753191
Energy: 0.818973376141049
Energy: 0.7451354594753191
Energy: 0.8689389145771697
Energy: 0.7607488495831961
Energy: 0.7794654049882814
Energy: 0.7607488495831961
Energy: 0.8182056682978543
Energy: 0.7449021617664662
Energy: 0.8123353107069612
Energy: 0.7449021617664662
Energy: 0.8430272543888557
Energy: 0.741802106284072
Energy: 0.8731662365193549
Energy: 0.7418021062831446
Energy: 0.8108252329255986
Energy: 0.7422523762907192
Energy: 0.8401597197035572
Energy: 0.7422523762907192
Energy: 0.8340507327760012
Energy: 0.7418705323948489
Energy: 0.8354102882396519
Energy: 0.7418705323948489
Energy: 0.838097746606489
Energy: 0.7585283263562472
Energy: 0.8167225418790288
Energy: 0.7585283263562472
Energy: 0.8307431657244699
Energy: 0.7400511602787541
Energy: 0.8469019542422529
Energy: 0.7400511602796818

minimum gb energy = 0.6940480595909776 eV
minimum distance =  2.30144606216788 Angstroms
sigma value = 113


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

Energy: 0.015083199497948254
Energy: 0.015488703370065266
Energy: 1.6762718015122153
Energy: 0.015488703370065266
Energy: 0.015861492683611044
Energy: 0.7831429300524951
Energy: 0.01586149267806504
Energy: 0.7831429300524951
Energy: 1.5081567427483062
Energy: 0.015488703370065266
Energy: 0.015083199497948254
Energy: 0.015488703369352208
Energy: 0.01586149268642366
Energy: 0.7831429300524951
Energy: 0.015861492677351985
Energy: 0.7831429300524951
Energy: 0.015083199497948254
Energy: 0.015488703369352208
Energy: 1.6762718015115021
Energy: 0.015488703369352208
Energy: 0.01586149268919666
Energy: 0.7831429300524951
Energy: 0.015861492677351985
Energy: 0.7831429300524951

minimum gb energy = 0.015083199497948254 eV
minimum distance =  2.44288442124933 Angstroms
sigma value = 1