Model name: model_name=MEAM_LAMMPS_SaLee_2008_FeTi__MO_260546967793_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=3.6110985279083248
cohesive_energy=4.242432836622999
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
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: 0.016431937308191157
Energy: 1.2126445574267088
Energy: 0.016431937308191157
Energy: 1.2126445574267088
Energy: 0.016431937308191157
Energy: 1.2126445574270233
Energy: 1.2126445574267088
Energy: 1.104299458413028
Energy: 1.2126445574267088
Energy: 1.148717720703814
Energy: 1.2126445574264297
Energy: 1.1487177207041281
Energy: 0.016431937308191157
Energy: 1.2126445574267088
Energy: 0.016431937308191157
Energy: 1.2126445574270233
Energy: 0.016431937308191157
Energy: 1.2126445574267088
Energy: 1.2126445574270233
Energy: 1.1487177207050363
Energy: 1.2126445574267088
Energy: 1.1487177207041281
Energy: 1.2126445574270233
Energy: 1.148717720703814
Energy: 0.016431937308191157
Energy: 1.2126445574264297
Energy: 0.016431937308191157
Energy: 1.2126445574267088
Energy: 0.016431937308191157
Energy: 1.2126445574270233
Energy: 1.2126445574270233
Energy: 1.1487177207041281
Energy: 1.2126445574267088
Energy: 1.148717720703814
Energy: 1.2126445574270233
Energy: 1.1487177207044426

minimum gb energy = 0.016431937308191157 eV
minimum distance =  2.39998202594818 Angstroms
sigma value = 1


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

Energy: 1.1933665213266613
Energy: 1.0226932305362362
Energy: 1.193366521325148
Energy: 1.0226932305362362
Energy: 1.1933665213259048
Energy: 1.022693230536993
Energy: 1.357907171455646
Energy: 0.9243952310246646
Energy: 1.3579071714495938
Energy: 0.9243952310246646
Energy: 1.3579071714548898
Energy: 0.9243952310254211
Energy: 1.1289735628520945
Energy: 1.07845122977152
Energy: 1.068026397576704
Energy: 1.0784512297284667
Energy: 1.1289735628505815
Energy: 1.078451229697449
Energy: 1.1930658087974741
Energy: 1.0020162042626248
Energy: 1.193065808805796
Energy: 1.0020162042618683
Energy: 1.1930658087989872
Energy: 1.0020162042611116
Energy: 1.078542378592517
Energy: 1.137957712941643
Energy: 1.078542378592517
Energy: 1.1379577129423994
Energy: 1.078542378591004
Energy: 1.1379577129423994
Energy: 1.113698905420853
Energy: 0.9918463690247685
Energy: 1.1136989054216098
Energy: 0.9918463690240119
Energy: 1.113698905420853
Energy: 0.991846369025525
Energy: 1.0798188815798875
Energy: 1.1441625541241278
Energy: 1.0798188814664773
Energy: 1.1441625541211018
Energy: 1.0713132004059325
Energy: 1.1441625541165628
Energy: 1.0044069906139073
Energy: 1.2399778452132875
Energy: 1.0044069906139073
Energy: 1.239977845212531
Energy: 1.0044069906146635
Energy: 1.2399778452148005
Energy: 1.1381983735306314
Energy: 1.1452134924230897
Energy: 1.1381983735291183
Energy: 1.1452134924230897
Energy: 1.1381983735306314
Energy: 1.1452134924230897
Energy: 0.9215954831955885
Energy: 1.22438570109197
Energy: 0.9215954831955885
Energy: 0.637880052433882
Energy: 0.9215954831955885
Energy: 0.6373897087873333
Energy: 1.1033889506902588
Energy: 0.9908144854787201
Energy: 0.5916617180616384
Energy: 0.9908144854809897
Energy: 0.5919473182085832
Energy: 0.9908144854809897
Energy: 0.8731213361102604
Energy: 1.1495269981292142
Energy: 0.8731213361102604
Energy: 1.1495269448836485
Energy: 0.8731213361102604
Energy: 1.149526839330127
Energy: 1.2333832299468361
Energy: 0.8604535329703914
Energy: 1.2333832299483491
Energy: 0.8604535329703914
Energy: 1.2333832299483491
Energy: 0.860453532971148
Energy: 1.0036511891658237
Energy: 1.0850775713824434
Energy: 1.0036511891658237
Energy: 1.085077570222415
Energy: 1.0036511891658237
Energy: 1.0850775684681013
Energy: 1.2973963703573441
Energy: 0.9260533367326937
Energy: 1.2973963701834121
Energy: 0.9260533367326937
Energy: 1.297396369691877
Energy: 0.9260533367326937
Energy: 1.3227524290636925
Energy: 1.132642002294183
Energy: 1.322752429062936
Energy: 1.132642002294183
Energy: 1.322752429062936
Energy: 1.1326420022934265
Energy: 1.129368870278382
Energy: 1.0829109386035853
Energy: 1.129368870278382
Energy: 1.0829109386020723
Energy: 1.129368870276869
Energy: 1.082910938602829
Energy: 1.1284379645208462
Energy: 1.0305302915959964
Energy: 1.1284379645223592
Energy: 1.0305302915952401
Energy: 1.1284379645079852
Energy: 1.0305302915959964
Energy: 1.0190271495771352
Energy: 1.0022558725796682
Energy: 1.0190271495786483
Energy: 1.0022558722038815
Energy: 1.0030458163809224
Energy: 1.0022558715648928
Energy: 1.099865336996959
Energy: 0.9914915398395213
Energy: 1.0998653369962028
Energy: 0.9914915398410344
Energy: 1.099865336996959
Energy: 0.9914915398410344
Energy: 0.9411931667958693
Energy: 1.2163577357738324
Energy: 0.9411931667951128
Energy: 1.2163577357587707
Energy: 0.9411931667958693
Energy: 1.2163577357565012
Energy: 1.1397932579929189
Energy: 1.145891999768812
Energy: 1.1397932579959449
Energy: 1.145891999768812
Energy: 1.1397932579951886
Energy: 1.145891999768812
Energy: 0.8873496365476893
Energy: 1.4274928588525726
Energy: 0.9658303453261994
Energy: 1.4274928588548421
Energy: 0.905453308556155
Energy: 1.427492858853329

minimum gb energy = 0.5916617180616384 eV
minimum distance =  2.33661455020159 Angstroms
sigma value = 33


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

Energy: 1.3834241529655709
Energy: 1.166588975727166
Energy: 1.3211516561536185
Energy: 1.1665889757258752
Energy: 1.3834241529664315
Energy: 1.1665889757250143
Energy: 1.304147078483971
Energy: 1.0383125381009217
Energy: 1.3041441500892454
Energy: 1.0383125381017824
Energy: 1.3041345149778623
Energy: 1.038312538102643
Energy: 1.0223717804078543
Energy: 1.0648058839570729
Energy: 1.0223717804074242
Energy: -0.09366023556738753
Energy: 1.0223717804065633
Energy: 0.7999588717923793
Energy: 1.2023386697283436
Energy: 1.0965373137717551
Energy: 1.2023386697304952
Energy: 1.0965366347462586
Energy: 1.2023386697322163
Energy: 1.0965356111193556
Energy: 1.1543534599511802
Energy: 1.0956751564634513
Energy: 1.1543534599520409
Energy: 1.0956751564604392
Energy: 1.154353459952471
Energy: 1.0956751564595784
Energy: 0.9657563130177932
Energy: 0.48338537349568184
Energy: 0.9657563130160721
Energy: 0.4827455349640673
Energy: 0.965756313017363
Energy: 0.48263452802500123
Energy: 1.1992589016437296
Energy: 0.6068452178855921
Energy: 1.1996306859562202
Energy: 0.6057678382053815
Energy: 1.1992498909977547
Energy: 0.6066620024747845
Energy: 0.90332441154235
Energy: 1.3524276737768246
Energy: 0.9034679635307895
Energy: 1.3524276737772547
Energy: 0.9033244115427803
Energy: 1.3524276737798366
Energy: 1.0855623954360003
Energy: 1.0230791616609574
Energy: 1.0855623954360003
Energy: 1.0230791616609574
Energy: 1.0855623954390126
Energy: 1.0230791616600967
Energy: 0.9796859278659794
Energy: 1.3056875885404073
Energy: 0.9796856079197129
Energy: 1.3056875862319561
Energy: 0.9796859278629673
Energy: 1.305687583033626
Energy: 1.240541837720666
Energy: 0.9797002485956855
Energy: 1.240541837720236
Energy: 0.979700248593534
Energy: 1.2405418377180841
Energy: 0.9797002485943945
Energy: 1.0250351199663776
Energy: 1.0129588603355155
Energy: 1.0250319189981796
Energy: 1.0129588211642546
Energy: 1.025035119967238
Energy: 1.0129587746315412
Energy: 0.4779285845272323
Energy: 0.9247513487611894
Energy: 0.6525012847952493
Energy: 0.9247513487581771
Energy: 0.6706172242764119
Energy: 0.9247513487577469
Energy: 1.3239622675380853
Energy: 1.3273364741900042
Energy: 1.3239622675380853
Energy: 1.3273364741912952
Energy: 1.3239622675393763
Energy: 1.3273364741917253
Energy: 1.2021041633709026
Energy: 1.0371548390538003
Energy: 1.202104163369612
Energy: 1.037154839047776
Energy: 1.2021041633678906
Energy: 1.037154839050358
Energy: 1.0200581193745342
Energy: 1.0373890820867122
Energy: 1.0200581193728127
Energy: 1.0373890820858518
Energy: 1.0200581193741036
Energy: 1.0373890820867122
Energy: 1.2031014781052471
Energy: 1.0981507919515232
Energy: 1.2031014781086897
Energy: 1.0981507919532445
Energy: 1.2031014781086897
Energy: 1.0981507919519535
Energy: 1.175253555391326
Energy: 0.5446104655050258
Energy: 1.1752535553551797
Energy: 0.5446104139287391
Energy: 1.175253555242478
Energy: 0.5446104852121991
Energy: 0.9635625846857084
Energy: 0.39520696721856213
Energy: 0.9635625846844175
Energy: 0.39520689548136095
Energy: 0.9635625846826963
Energy: 0.3952070197015488
Energy: 1.2023096089799303
Energy: 0.8052030383476589
Energy: 1.2025491619796076
Energy: 0.7097421171869256
Energy: 1.2023096089769179
Energy: 0.8045045301716106
Energy: 0.9034052114791897
Energy: -0.08625736562590365
Energy: 0.9035303360329305
Energy: 0.6975178559859818
Energy: 0.9034052114800505
Energy: 0.6973940491488478
Energy: 1.0858298776443414
Energy: 1.0225913198958305
Energy: 1.085829877645202
Energy: 1.0225913198954
Energy: 1.0858298776426203
Energy: 1.0225913198954
Energy: 0.9835034486415751
Energy: 0.15861431272584645
Energy: 0.9832172763001843
Energy: 0.15260312244410268
Energy: 0.9835034486437266
Energy: 0.14973558384192096
Energy: 1.2268354925369158
Energy: 1.155376839736932
Energy: 1.2268354925364855
Energy: 1.1553768397377926
Energy: 1.2268354925356248
Energy: 1.1553768397377926
Energy: 1.0225791816361163
Energy: 0.977147158398923
Energy: 1.0224827688320943
Energy: 0.9771471583864829
Energy: 1.022579181637407
Energy: 0.9771471583714222
Energy: 1.3628704018723048
Energy: 1.173102327793459
Energy: 1.3135774650638794
Energy: 1.173102327792168
Energy: 1.3628704018723048
Energy: 1.1731023277917376
Energy: 1.3667786912482904
Energy: 1.2239395980346983
Energy: 1.3110302455990874
Energy: 1.2239395980346983
Energy: 1.366778691246139
Energy: 1.2239395980321164
Energy: 1.0204664931542053
Energy: 1.0876636789710052
Energy: 1.0204664931516234
Energy: 1.0876636789718659
Energy: 1.0204664931520537
Energy: 1.0876636789710052
Energy: 1.3314605364014265
Energy: 1.0384048051023118
Energy: 1.3314605363988448
Energy: 1.038404805101021
Energy: 1.331460536396693
Energy: 1.038404805101021
Energy: 0.9836894791226565
Energy: 1.2236469628859896
Energy: 0.9836894791230869
Energy: 1.22364696288685
Energy: 0.9836894791235172
Energy: 1.2236469628885716
Energy: 1.2289844840677735
Energy: 1.023527270888896
Energy: 1.2289844840677735
Energy: 1.0235272708906171
Energy: 1.2289844840669129
Energy: 1.0235272708901866
Energy: 0.9267114679393273
Energy: 0.6847470987228386
Energy: 0.9267114679397576
Energy: 0.682204369908652
Energy: 0.9267114679397576
Energy: 0.6829661088902467
Energy: 1.2009706722313036
Energy: 1.315243468892344
Energy: 1.1998945773378749
Energy: 1.3152434688914834
Energy: 1.2009706722313036
Energy: 1.315243468891914
Energy: 1.0383928214889162
Energy: 1.2019543852120678
Energy: 1.0383928214893468
Energy: 1.2019543851995889
Energy: 1.0383928214893468
Energy: 1.201954385181946
Energy: 1.059610730026953
Energy: 1.0200928258783126
Energy: 1.0596107300295348
Energy: 1.0200928258761612
Energy: 1.059610730026953
Energy: 1.0200928258761612
Energy: 1.097502267540052
Energy: 1.2021125434517614
Energy: 1.097502267109078
Energy: 1.2021125434496096
Energy: 1.097502265640668
Energy: 1.202112543448749
Energy: 1.0202373953184471
Energy: 1.1533546719861725
Energy: 1.0202746922143726
Energy: 1.1533546718889616
Energy: 1.020237395316726
Energy: 1.1533546717367105
Energy: 1.0638173875447257
Energy: 0.9717329697349814
Energy: 1.0638173875447257
Energy: 0.9717329697336904
Energy: 1.063817387542574
Energy: 0.9717329697328297
Energy: 1.32422473317469
Energy: 1.1669704358414874
Energy: 1.3242247331738293
Energy: 1.1669691424446138
Energy: 1.3242247331755506
Energy: 1.1669672077793145
Energy: 1.3196786773987785
Energy: 0.86304177403205
Energy: 1.3196784639768302
Energy: 0.8630417740316196
Energy: 1.3196777450188169
Energy: 0.8630417740311894
Energy: 1.0247025908823795
Energy: 0.9288310811497155
Energy: 1.0247025908832401
Energy: 0.9288310811510063
Energy: 1.0247025908836704
Energy: 0.9288310811501459

minimum gb energy = -0.09366023556738753 eV
minimum distance =  2.3731957124017 Angstroms
sigma value = 51


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

Energy: 1.1370948570286947
Energy: 1.1190945422926613
Energy: 1.1370948570286947
Energy: 1.1190945422926613
Energy: 1.1370948570286947
Energy: 1.1190945422916643
Energy: 1.17297353867917
Energy: 1.0026256164708602
Energy: 1.1729638634318327
Energy: 1.0026256164708602
Energy: 1.172669338182943
Energy: 1.0026256164708602
Energy: 1.0682644034472404
Energy: 1.0562014490321618
Energy: 1.0682644034472404
Energy: 1.0561888274738613
Energy: 1.0682644034472404
Energy: 1.0561961877467008
Energy: 1.077348054643127
Energy: 0.8879443586168213
Energy: 1.0773480546421301
Energy: 0.8879443586158241
Energy: 1.077348054641133
Energy: 0.8879443586158241
Energy: 1.1138818327913873
Energy: 1.0864764807085434
Energy: 1.1138818327923843
Energy: 1.0864764807075464
Energy: 1.1138818327923843
Energy: 1.0864764807055527
Energy: 1.1427829254432247
Energy: 1.0867592769453962
Energy: 1.1427829254422277
Energy: 1.0867592769453962
Energy: 1.1427829254422277
Energy: 1.0867592769453962
Energy: 0.9628104660355831
Energy: 1.0938192041914097
Energy: 0.9628104660345861
Energy: 1.0938192041914097
Energy: 0.962810466033589
Energy: 1.0938192041914097
Energy: 0.9896641087863003
Energy: 1.086721241928563
Energy: 0.9896641087863003
Energy: 1.086721241928563
Energy: 0.9896641087863003
Energy: 1.086721241927566
Energy: 1.2556501554340747
Energy: 0.8836890713752269
Energy: 1.25565015435181
Energy: 0.8836890713752269
Energy: 1.2556501543438336
Energy: 0.8836890713752269
Energy: 0.9200704922780959
Energy: 1.2765050259979995
Energy: 0.9200704922780959
Energy: 1.2765050259979995
Energy: 0.9200704922780959
Energy: 1.2765050259970023
Energy: 1.2527267905871615
Energy: 0.8910968624935541
Energy: 1.2527267803084332
Energy: 0.8910968624945513
Energy: 1.25272674792569
Energy: 0.8910968624935541
Energy: 1.1266491716473352
Energy: 1.1205375163936522
Energy: 1.1266491716483324
Energy: 1.1205375163886673
Energy: 1.1266491716473352
Energy: 1.1205375163866733
Energy: 1.3249908991362396
Energy: 1.0029875582375751
Energy: 1.3249908991362396
Energy: 1.0029875582375751
Energy: 1.3249908991362396
Energy: 1.0029875582375751
Energy: 1.063245256957192
Energy: 1.0185690834569319
Energy: 1.063245256956195
Energy: 1.0185690834549377
Energy: 1.063245256957192
Energy: 1.0185690834559347
Energy: 1.098268071101255
Energy: 1.1196856166259264
Energy: 1.098268071101255
Energy: 1.1196856166259264
Energy: 1.098268071102252
Energy: 1.1196856166259264
Energy: 1.13864319435288
Energy: 1.0866752799962174
Energy: 1.1386431943518829
Energy: 1.0866752799952204
Energy: 1.13864319435288
Energy: 1.0866752799962174
Energy: 1.1145207452077774
Energy: 1.2098526528912914
Energy: 1.1145207452077774
Energy: 1.2098526528902944
Energy: 1.1145207452077774
Energy: 1.2098526528883002
Energy: 1.0332175693243253
Energy: 1.088024822814163
Energy: 1.0332175693243253
Energy: 1.088024822813166
Energy: 1.0332175693233283
Energy: 1.088024822814163

minimum gb energy = 0.8836890713752269 eV
minimum distance =  2.30603381782385 Angstroms
sigma value = 19


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

Energy: 0.8690659587878082
Energy: 0.848816842664579
Energy: 0.8690659587878082
Energy: 0.848816842664579
Energy: 0.8690659587878082
Energy: 0.848816842664579
Energy: 0.9487523692866905
Energy: 1.1320075731671158
Energy: 0.9487523692855079
Energy: 1.1320075731665245
Energy: 0.9487523692866905
Energy: 1.132007573165933
Energy: 0.8032801582941601
Energy: 1.1291108033375272
Energy: 0.8032801582947513
Energy: 1.129110803335753
Energy: 0.8032801582947513
Energy: 1.1291108033333874
Energy: 0.9089908321175949
Energy: 0.8034884693041242
Energy: 0.9089908321175949
Energy: 0.8034884693041242
Energy: 0.9089908321181863
Energy: 0.8034884693041242
Energy: 0.8447546467297657
Energy: 0.865602208149866
Energy: 0.8447546467303572
Energy: 0.8656022081504574
Energy: 0.8447546467303572
Energy: 0.865602208149866
Energy: 0.8448879094465791
Energy: 0.8655051175820305
Energy: 0.8448879094465791
Energy: 0.8655051175820305
Energy: 0.8448879094465791
Energy: 0.865505117581439
Energy: 0.9089619265603448
Energy: 0.803482522435459
Energy: 0.9089619265603448
Energy: 0.803482522435459
Energy: 0.908961926560936
Energy: 0.803482522435459
Energy: 0.8032825330116061
Energy: 1.1292435680302477
Energy: 0.8032825330116061
Energy: 1.129243568029065
Energy: 0.8032825330110148
Energy: 1.129243568030839
Energy: 0.9486850909734136
Energy: 1.131948028758149
Energy: 0.9486850909745964
Energy: 1.131948028758149
Energy: 0.9486850909740049
Energy: 1.1319480287587402
Energy: 0.8690659587878082
Energy: 0.848816842664579
Energy: 0.8690659587878082
Energy: 0.848816842664579
Energy: 0.8690659587878082
Energy: 0.848816842664579
Energy: 0.9487523692866905
Energy: 1.1320075731665245
Energy: 0.9487523692860993
Energy: 1.1320075731665245
Energy: 0.9487523692849164
Energy: 1.1320075731665245
Energy: 0.8032801582947513
Energy: 1.129110803335753
Energy: 0.8032801582941601
Energy: 1.129110803336936
Energy: 0.8032801582947513
Energy: 1.1291108033345703
Energy: 0.9089908321181863
Energy: 0.8034884693041242
Energy: 0.9089908321175949
Energy: 0.8034884693035328
Energy: 0.9089908321181863
Energy: 0.8034884693041242
Energy: 0.8447546467297657
Energy: 0.865602208149866
Energy: 0.8447546467297657
Energy: 0.8656022081504574
Energy: 0.8447546467297657
Energy: 0.865602208149866
Energy: 0.8448879094459876
Energy: 0.8655051175820305
Energy: 0.8448879094465791
Energy: 0.8655051175820305
Energy: 0.8448879094465791
Energy: 0.8655051175820305
Energy: 0.9089619265603448
Energy: 0.803482522435459
Energy: 0.908961926560936
Energy: 0.803482522435459
Energy: 0.9089619265603448
Energy: 0.803482522435459
Energy: 0.8032825330110148
Energy: 1.1292435680302477
Energy: 0.8032825330116061
Energy: 1.129243568029065
Energy: 0.8032825330116061
Energy: 1.1292435680314306
Energy: 0.9486850909751878
Energy: 1.131948028758149
Energy: 0.9486850909745964
Energy: 1.131948028758149
Energy: 0.9486850909740049
Energy: 1.1319480287587402
Energy: 0.8690659587878082
Energy: 0.848816842664579
Energy: 0.869065958787217
Energy: 0.848816842664579
Energy: 0.8690659587878082
Energy: 0.848816842664579
Energy: 0.9487523692860993
Energy: 1.1320075731665245
Energy: 0.9487523692860993
Energy: 1.132007573165933
Energy: 0.9487523692860993
Energy: 1.132007573165933
Energy: 0.8032801582947513
Energy: 1.129110803335753
Energy: 0.8032801582947513
Energy: 1.1291108033351618
Energy: 0.8032801582947513
Energy: 1.129110803335753
Energy: 0.9089908321181863
Energy: 0.8034884693041242
Energy: 0.9089908321181863
Energy: 0.8034884693041242
Energy: 0.9089908321181863
Energy: 0.8034884693047155
Energy: 0.8447546467297657
Energy: 0.865602208149866
Energy: 0.8447546467297657
Energy: 0.8656022081504574
Energy: 0.8447546467303572
Energy: 0.865602208149866
Energy: 0.8448879094465791
Energy: 0.8655051175820305
Energy: 0.8448879094465791
Energy: 0.8655051175820305
Energy: 0.8448879094465791
Energy: 0.8655051175820305
Energy: 0.9089619265603448
Energy: 0.803482522435459
Energy: 0.9089619265597534
Energy: 0.803482522435459
Energy: 0.908961926560936
Energy: 0.803482522435459
Energy: 0.8032825330110148
Energy: 1.1292435680302477
Energy: 0.8032825330116061
Energy: 1.129243568029065
Energy: 0.8032825330110148
Energy: 1.129243568030839
Energy: 0.9486850909745964
Energy: 1.131948028758149
Energy: 0.9486850909740049
Energy: 1.131948028758149
Energy: 0.9486850909740049
Energy: 1.1319480287587402
Energy: 0.8690659587878082
Energy: 0.848816842664579
Energy: 0.8690659587878082
Energy: 0.848816842664579
Energy: 0.8690659587878082
Energy: 0.848816842664579
Energy: 0.9487523692866905
Energy: 1.1320075731665245
Energy: 0.9487523692860993
Energy: 1.1320075731665245
Energy: 0.9487523692866905
Energy: 1.132007573165933
Energy: 0.8032801582941601
Energy: 1.129110803335753
Energy: 0.8032801582947513
Energy: 1.129110803335753
Energy: 0.8032801582947513
Energy: 1.129110803333979

minimum gb energy = 0.8032801582941601 eV
minimum distance =  2.3191007718372 Angstroms
sigma value = 27


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

Energy: 0.8482481506740132
Energy: 0.8114584767841682
Energy: 0.8482481506740132
Energy: 0.8114584767841682
Energy: 0.8482481506740132
Energy: 0.8114584767841682
Energy: 1.0031501650112276
Energy: 0.834444948810584
Energy: 1.0031495375105255
Energy: 0.834444948810584
Energy: 1.0031478844834723
Energy: 0.834444948810584
Energy: 0.9095060561220831
Energy: 0.9542528739459678
Energy: 0.8326228966402296
Energy: 0.9542528739459678
Energy: 0.9095060561220831
Energy: 0.9542528739459678
Energy: 1.0033112187318622
Energy: 0.7887130600889458
Energy: 1.0033112007738474
Energy: 0.7887130600889458
Energy: 1.0033111429801236
Energy: 0.7887130600889458
Energy: 1.0026818653869243
Energy: 0.7886504599010595
Energy: 1.0026818653854759
Energy: 0.7886504599010595
Energy: 1.002681865388373
Energy: 0.7886504599010595
Energy: 1.02112289467783
Energy: 1.0765096041319897
Energy: 1.02112289467783
Energy: 1.0765096041319897
Energy: 1.02112289467783
Energy: 1.076509604130574
Energy: 0.7894294101793926
Energy: 0.8374833510838773
Energy: 0.9507679651766408
Energy: 0.8374833510838773
Energy: 0.7894294101793926
Energy: 0.8374833510838773
Energy: 0.8405303716025385
Energy: 0.8138816904407883
Energy: 0.8405303716010899
Energy: 0.8138816904407883
Energy: 0.8405303716025385
Energy: 0.8138816904407883
Energy: 1.0037455892829816
Energy: 0.832158347600088
Energy: 1.0037455892439011
Energy: 0.8321583467240254
Energy: 1.0037455891686051
Energy: 0.832158350092071
Energy: 0.9898449342586134
Energy: 1.0262290318348979
Energy: 0.9898449342586134
Energy: 1.0262290318348979
Energy: 0.9898449342586134
Energy: 1.0262290318262062
Energy: 0.8138127144342233
Energy: 0.790361040591955
Energy: 0.8138127144342233
Energy: 0.7903610405934037
Energy: 0.9194841619903633
Energy: 0.7903610405934037
Energy: 1.1187523856802322
Energy: 0.9835408720232821
Energy: 1.1187523856802322
Energy: 0.9835408720058985
Energy: 1.1187523856802322
Energy: 0.9835408719784073

minimum gb energy = 0.7886504599010595 eV
minimum distance =  2.30122767447088 Angstroms
sigma value = 9


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

Energy: 0.9336626796425117
Energy: 0.7340724442445954
Energy: 0.9336626796425117
Energy: 0.7340724442441884
Energy: 0.93366267964414
Energy: 0.7340724442437814
Energy: 0.8177343961242044
Energy: 0.799185760933827
Energy: 0.8177343960953422
Energy: 0.8132955414763602
Energy: 0.817734395399207
Energy: 0.7620695992624007
Energy: 0.7109109851953652
Energy: 0.8247610035817268
Energy: 0.7109109851945512
Energy: 0.8247610035662964
Energy: 0.7109109851937372
Energy: 0.8247610035687386
Energy: 0.7626511096185808
Energy: 0.7283317763938855
Energy: 0.7626511096173597
Energy: 0.7283317763951066
Energy: 0.7626511096181738
Energy: 0.7283317763926643
Energy: 0.816641001424758
Energy: 0.7810867257994797
Energy: 0.8166410014259792
Energy: 0.7810867258002936
Energy: 0.816641001425165
Energy: 0.7810867257994797
Energy: 0.8497527073159192
Energy: 0.9135166479690521
Energy: 0.8497527072748092
Energy: 0.8756645396975707
Energy: 0.8497527070909419
Energy: 0.8355903942057205
Energy: 0.8172828445872139
Energy: 0.8365566304388119
Energy: 0.8172828444899705
Energy: 0.8365566304375907
Energy: 0.8172828442694703
Energy: 0.8365566304384049
Energy: 0.7099143142411289
Energy: 0.8190156675749887
Energy: 0.7099143142411289
Energy: 0.8190156675745818
Energy: 0.7099143142407218
Energy: 0.8190156675745818
Energy: 0.7856920014403344
Energy: 0.7818294280150686
Energy: 0.7856917903767165
Energy: 0.7818294280154756
Energy: 0.785691394623534
Energy: 0.7818294280154756
Energy: 0.7837601534987486
Energy: -0.7806656703361652
Energy: 0.7837601532277766
Energy: -1.3930330691736443
Energy: 0.7837601520353222
Energy: -1.319368703587401
Energy: 0.759772739910659
Energy: 0.7369625806004595
Energy: 0.7597727399139153
Energy: 0.7369625806000525
Energy: 0.7597727398931567
Energy: 0.7369625806004595
Energy: 0.7516359433725023
Energy: 0.8235083924077584
Energy: 0.7516359433733163
Energy: 0.8235083923418565
Energy: 0.7516359433725023
Energy: 0.8235083922454269
Energy: 0.311076846418591
Energy: 0.8111071307575921
Energy: 0.4458494073719692
Energy: 0.8111071307535218
Energy: 0.4455869027438424
Energy: 0.8111071307246598
Energy: 0.9281208817758262
Energy: 0.805993896441647
Energy: 0.928120881748555
Energy: 0.8059938964449032
Energy: 0.9281208816546047
Energy: 0.8059938964392047
Energy: 0.734108631258394
Energy: 0.8015210582026865
Energy: 0.7341086312588011
Energy: 0.8015210582030935
Energy: 0.734108631259615
Energy: 0.8015210582035005
Energy: 0.877046597102434
Energy: 0.9098873985507051
Energy: 0.8766573790997966
Energy: 0.9098873985323888
Energy: 0.6427357803512476
Energy: 0.9098873984799187
Energy: 0.967868714861212
Energy: 0.7292334511536173
Energy: 0.9678687148632471
Energy: 0.7292334511523961
Energy: 0.96786871486284
Energy: 0.7292334511523961
Energy: 0.7503194181363041
Energy: 0.7433445526553482
Energy: 0.7503194181363041
Energy: 0.7433445526557552
Energy: 0.7503194181363041
Energy: 0.7433445526557552
Energy: 0.7121528788665139
Energy: 0.9741547764633233
Energy: 0.7121528788665139
Energy: 0.9741547764637303
Energy: 0.7121528788673279
Energy: 0.9741547764694287
Energy: 0.9048182518824243
Energy: 0.7169171115033504
Energy: 0.9048182518816102
Energy: 0.7169171115041645
Energy: 0.9048182518824243
Energy: 0.7169171115037574
Energy: 0.7121646668824283
Energy: 0.9739512813507607
Energy: 0.7121646668816142
Energy: 0.9739512813479115
Energy: 0.7121646668824283
Energy: 0.9739512813511679
Energy: 0.7505513516510484
Energy: 0.743664793677815
Energy: 0.7505513516518624
Energy: 0.743664793677001
Energy: 0.7505513516530835
Energy: 0.743664793677001
Energy: 0.9677346250731664
Energy: 0.7291293458473294
Energy: 0.9677346250723524
Energy: 0.7291293458481434
Energy: 0.9677346250711314
Energy: 0.7291293458457012
Energy: 0.8767569951126688
Energy: 0.819045488378076
Energy: 0.8766800340030303
Energy: 0.8190454883446994
Energy: 0.6427347191593602
Energy: 0.8190454882653654
Energy: 0.7340096187834981
Energy: 0.8014860059296365
Energy: 0.7340096187843123
Energy: 0.8014860059296365
Energy: 0.7340096187843123
Energy: 0.8014860059300435
Energy: 0.9279623754819155
Energy: 0.8061827734187995
Energy: 0.9279623754424334
Energy: 0.8061827734212417
Energy: 0.9279623753374564
Energy: 0.8061827734204275
Energy: 0.43019445519602467
Energy: 0.8108762860570802
Energy: 0.45876735336786495
Energy: 0.8108762860351005
Energy: 0.4556658836034527
Energy: 0.8108762859858868
Energy: 0.7514014666576113
Energy: 0.7303260525530952
Energy: 0.7514014666576113
Energy: 0.7303260525250101
Energy: 0.7514014666572043
Energy: 0.7303260524558518
Energy: 0.7600634371933035
Energy: 0.7370106967150769
Energy: 0.7600634371916754
Energy: 0.7370106967154839
Energy: 0.7600634371965598
Energy: 0.7370106967154839
Energy: 0.7837309949278827
Energy: 0.6231972417052687
Energy: 0.7837309944026639
Energy: 0.6235987319536352
Energy: 0.7837309928985344
Energy: 0.6231994939635219
Energy: 0.7859559756865323
Energy: 0.7815784841017509
Energy: 0.7859559633801186
Energy: 0.7815784841021579
Energy: 0.7859559255978964
Energy: 0.7815784841017509
Energy: 0.7099474053247391
Energy: 0.8188469915651981
Energy: 0.709947405323925
Energy: 0.8188469915651981
Energy: 0.709947405323925
Energy: 0.8188469915656051
Energy: 0.8173479281778465
Energy: 0.836668507936609
Energy: 0.8173479281152006
Energy: 0.836668507936609
Energy: 0.8173479278495199
Energy: 0.836668507937423
Energy: 0.8495010295442252
Energy: 0.9028637971955052
Energy: 0.8495010295014869
Energy: 0.9028505329734183
Energy: 0.8495010292988961
Energy: 0.9028318595486388
Energy: 0.8165015003143479
Energy: 0.7813768889508339
Energy: 0.8165015003151619
Energy: 0.7813768889516479
Energy: 0.8165015003151619
Energy: 0.7813768889500199
Energy: 0.7620473075169676
Energy: 0.7282173039074676
Energy: 0.7620473075169676
Energy: 0.7282173039082818
Energy: 0.7620473075173746
Energy: 0.7282173039074676
Energy: 0.7106342169807267
Energy: 0.82503858233967
Energy: 0.7106342169782845
Energy: 0.8250385823380417
Energy: 0.7106342169799126
Energy: 0.8250385823384487
Energy: 0.8209598270628644
Energy: 0.7618732849466024
Energy: 0.8209598270893215
Energy: 0.7618699505533937
Energy: 0.8209598270754824
Energy: 0.7618663117946871
Energy: 0.9336626796400695
Energy: 0.7340724442429674
Energy: 0.9336626796392555
Energy: 0.7340724442425604
Energy: 0.9336626796404766
Energy: 0.7340724442433744
Energy: 0.8177343946668834
Energy: 0.7243142653564226
Energy: 0.8177343936973342
Energy: 0.7243142653564226
Energy: 0.8177343943885848
Energy: 0.7243142653556086
Energy: 0.7109109851957723
Energy: 0.8247610035264074
Energy: 0.7109109851953652
Energy: 0.8247610034955101
Energy: 0.7109109851961793
Energy: 0.8247610035219302
Energy: 0.762651109620209
Energy: 0.7283317763955135
Energy: 0.762651109619395
Energy: 0.7283317763942925
Energy: 0.762651109619802
Energy: 0.7283317763938855
Energy: 0.816641001424758
Energy: 0.7810867258027357
Energy: 0.816641001425165
Energy: 0.7810867258027357
Energy: 0.816641001424758
Energy: 0.7810867258015146

minimum gb energy = -1.3930330691736443 eV
minimum distance =  2.35151657362959 Angstroms
sigma value = 57


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

Energy: 0.3891381193450021
Energy: 0.3963194977208893
Energy: 0.3891381193450021
Energy: 0.3963194977208893
Energy: 0.3891381193450021
Energy: 0.3963194977208893
Energy: 0.47060910793291844
Energy: 0.3900826546929196
Energy: 0.47060910793477156
Energy: 0.3900826546929196
Energy: 0.47060910793477156
Energy: 0.3900826546929196
Energy: 0.42926368904414486
Energy: 0.4671018834057098
Energy: 0.42926368904414486
Energy: 0.4671018834038567
Energy: 0.42926368904414486
Energy: 0.4671018834057098
Energy: 0.3986454184609166
Energy: 0.3891527776909954
Energy: 0.3986454184599901
Energy: 0.3891527776909954
Energy: 0.3986454184599901
Energy: 0.3891527776900688
Energy: 0.4697455844794624
Energy: 0.4786758293476779
Energy: 0.4697455844803889
Energy: 0.47867582934675135
Energy: 0.4697455844803889
Energy: 0.47867582934675135
Energy: 0.3891582010513775
Energy: 0.43136624524045103
Energy: 0.38915820105045096
Energy: 0.43136624524137757
Energy: 0.38915820105045096
Energy: 0.4313662452395245
Energy: 0.38917934895430034
Energy: 0.4313681816031454
Energy: 0.38917934895430034
Energy: 0.43136818160221885
Energy: 0.38917934895430034
Energy: 0.4313681816031454
Energy: 0.46976529221450597
Energy: 0.4786160326049733
Energy: 0.46976529221357943
Energy: 0.47861603260682645
Energy: 0.46976529221450597
Energy: 0.4786160326049733
Energy: 0.39862351988322714
Energy: 0.3891394068841759
Energy: 0.39862351988322714
Energy: 0.3891394068841759
Energy: 0.39862351988322714
Energy: 0.3891394068832494
Energy: 0.4303283527738011
Energy: 0.4670621093141182
Energy: 0.4303283527738011
Energy: 0.46706210931319153
Energy: 0.4303283527738011
Energy: 0.4670621093141182
Energy: 0.4706210787719001
Energy: 0.390084085508618
Energy: 0.4706210787719001
Energy: 0.3900840855076914
Energy: 0.4706210787719001
Energy: 0.390084085508618
Energy: 0.3891381193450021
Energy: 0.3963194977208893
Energy: 0.3891381193450021
Energy: 0.3963194977208893
Energy: 0.3891381193450021
Energy: 0.3963194977208893
Energy: 0.4706091079338451
Energy: 0.3900826546929196
Energy: 0.4706091079338451
Energy: 0.3900826546929196
Energy: 0.4706091079338451
Energy: 0.3900826546929196
Energy: 0.42926368904414486
Energy: 0.46710188340478337
Energy: 0.4292636890432183
Energy: 0.46710188340478337
Energy: 0.42926368904507145
Energy: 0.46710188340478337
Energy: 0.3986454184609166
Energy: 0.3891527776909954
Energy: 0.3986454184599901
Energy: 0.3891527776909954
Energy: 0.3986454184609166
Energy: 0.3891527776900688
Energy: 0.4697455844794624
Energy: 0.4786758293476779
Energy: 0.4697455844785358
Energy: 0.4786758293476779
Energy: 0.4697455844803889
Energy: 0.4786758293476779
Energy: 0.3891582010513775
Energy: 0.4313662452395245
Energy: 0.3891582010513775
Energy: 0.43136624524045103
Energy: 0.38915820105045096
Energy: 0.43136624524045103
Energy: 0.38917934895337386
Energy: 0.43136818160221885
Energy: 0.38917934895337386
Energy: 0.43136818160221885
Energy: 0.38917934895337386
Energy: 0.4313681816031454
Energy: 0.46976529221357943
Energy: 0.4786160326049733
Energy: 0.46976529221357943
Energy: 0.47861603260682645
Energy: 0.46976529221357943
Energy: 0.4786160326058998

minimum gb energy = 0.3891381193450021 eV
minimum distance =  2.44657972113367 Angstroms
sigma value = 11


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

Energy: 0.586544604287457
Energy: 0.7705414485259267
Energy: 0.5865446042881357
Energy: 0.7705414485266053
Energy: 0.5865446042888146
Energy: 0.7705414485259267
Energy: 0.7726555859021815
Energy: 0.7347072173880499
Energy: 0.7726555859028603
Energy: 0.7347072173887287
Energy: 0.7726555859035389
Energy: 0.7347072173880499
Energy: 0.8194234310968986
Energy: 1.179770849292134
Energy: 0.8204243241772256
Energy: 1.179770849292134
Energy: 0.8204243241765468
Energy: 1.1797708492907764
Energy: 0.8097947030040041
Energy: 0.09324229168001663
Energy: 0.8097947030040041
Energy: 0.08999734106494775
Energy: 0.8097947030046828
Energy: 0.09233923275632529
Energy: 0.7582014475047596
Energy: 0.5279035524118768
Energy: 0.7582014475047596
Energy: 0.5279035524118768
Energy: 0.7582014475054384
Energy: 0.5279035524118768
Energy: 0.6568341498588377
Energy: 0.8073465282871508
Energy: 0.6568341498574802
Energy: 0.8073465282864719
Energy: 0.6568341498588377
Energy: 0.807346528284436
Energy: -0.41849726906869716
Energy: 0.9967619068260193
Energy: -0.012684094978110386
Energy: 0.9967619068253404
Energy: -0.19228206523670516
Energy: 0.996761906823983
Energy: 0.8394149514120982
Energy: 0.11629615652453085
Energy: 0.8394149514120982
Energy: 0.11029820482199258
Energy: 0.8394149514114193
Energy: -0.353583418472889
Energy: 0.7761727806173364
Energy: -0.3841411177464333
Energy: 0.7761727806153004
Energy: -0.1793152035912072
Energy: 0.7761727806173364
Energy: -0.38415512720924666
Energy: 0.0861197168733962
Energy: 1.023393643579302
Energy: 0.08673671893913577
Energy: 1.023393643579302
Energy: 0.08578453526997795
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Energy: 0.776423216862101
Energy: 0.6411382436478053
Energy: 0.7764232168627797
Energy: 0.6411382436491626
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Energy: 0.6411382436484838
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Energy: 0.8664418150711684
Energy: 1.2022180041716082
Energy: 0.8664418150732046
Energy: 1.2022180041695718
Energy: 0.8664418150725259

minimum gb energy = -0.7687863913189696 eV
minimum distance =  2.3570050276256 Angstroms
sigma value = 41


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

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Energy: -0.4951199443930305
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Energy: -0.24716680918073855
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Energy: -0.20227899929877508
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Energy: -0.2070272350006872
Energy: -0.2834044988563252
Energy: -0.058768292717719495
Energy: -0.25217303213498343
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Energy: -0.12084697576245618
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Energy: 0.651826716720709
Energy: 0.7102435867897905
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Energy: -0.13938243733447508
Energy: -0.09709789270193867
Energy: -0.14424383800448795
Energy: -0.13436408872748054

minimum gb energy = -0.6022727741107073 eV
minimum distance =  2.24760232610341 Angstroms
sigma value = 33


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

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Energy: 0.589466369727449
Energy: 0.6706143104405766
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Energy: -0.6261590406411943
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Energy: -0.6613549858284826
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Energy: 0.01580059098150617
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Energy: 0.015807741862946326
Energy: 0.8734128143601174

minimum gb energy = -1.5440366800025993 eV
minimum distance =  2.38482919559446 Angstroms
sigma value = 67


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

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Energy: 0.5995498719892338
Energy: 0.7175845567798745
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Energy: -0.3032490310730783
Energy: -0.1593977470909234
Energy: 0.7175845567793898
Energy: 0.5995498719892338
Energy: 0.7175845567793898
Energy: 0.5995498719892338
Energy: 0.7175845567798745
Energy: 0.5995498719892338
Energy: -0.32440796963445856
Energy: -0.1597350214862452
Energy: -0.3021418035667505
Energy: -0.15989333922684834
Energy: -0.3247795376330617
Energy: -0.1599101973956612
Energy: -0.16222872926693302
Energy: 0.711544494445083
Energy: -0.16991701407985196
Energy: 0.711544494445083
Energy: -0.17053793907609305
Energy: 0.711544494445083

minimum gb energy = -0.3247795376330617 eV
minimum distance =  2.39077480574567 Angstroms
sigma value = 3


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

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Energy: -0.19887272930000033
Energy: -0.4922077661510911
Energy: -0.1429979624726486
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Energy: -1.5599007023972733
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Energy: -0.3985067416319082
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Energy: -1.7047683508425746
Energy: -1.9537852395290989
Energy: -1.527809205877437
Energy: -2.2530504210279476
Energy: -1.8174311819791955
Energy: -2.0745663048907144
Energy: -1.9073304231301038
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Energy: -1.9225897808925667
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Energy: -1.7149399320609708
Energy: -1.7684037790444396
Energy: -1.8390749299251314
Energy: -1.7591161484564712

minimum gb energy = -2.4477093117362827 eV
minimum distance =  2.30650130061044 Angstroms
sigma value = 81


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

Energy: 0.8472306562990003
Energy: 0.5514370002436979
Energy: 0.8472306562999375
Energy: 0.5514369988984279
Energy: 0.8472306563004062
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Energy: -0.4855398097279899
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Energy: -1.0234499411209497
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Energy: 0.09665060202362653
Energy: -0.7272543610120017
Energy: 0.10155499807776103
Energy: -1.4679667883450525
Energy: 0.28289141042430993
Energy: -1.4293257140076239
Energy: 0.05862921999518355
Energy: 0.3515480801144727
Energy: 0.015127501442084188
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Energy: -1.283448869223112
Energy: 0.6750740576630359
Energy: -1.212283702304933
Energy: 0.6750740576630359
Energy: -1.1957578989617195

minimum gb energy = -1.621879641468912 eV
minimum distance =  2.38019036415705 Angstroms
sigma value = 43


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

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Energy: 0.013429436920994863
Energy: 0.9144106266294948
Energy: 0.041170303735553075
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Energy: -1.1321901683887814
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Energy: -1.0443145326418455
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Energy: 0.5681803378018249
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Energy: 0.14207282577370778
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Energy: 0.8509098625398399
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Energy: 0.850909862538113
Energy: 0.789922778683311
Energy: -0.5156740572068433
Energy: -0.7046364038920667
Energy: -0.5334132447261836
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Energy: -0.13612018813972027
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Energy: 0.7467503957335596
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Energy: -1.054445561417409
Energy: 0.01787759303933809
Energy: -0.9066687852022595
Energy: -0.0013796554308838527
Energy: -0.8562643882486833

minimum gb energy = -1.1836297471363226 eV
minimum distance =  2.34806943328046 Angstroms
sigma value = 57


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

Energy: -0.0023562463820252953
Energy: -0.007660490055689536
Energy: 0.00489657350815166
Energy: -0.007660924568835677
Energy: 0.004453790383454707
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Energy: -0.36306228005394997
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Energy: 0.7440942775426621
Energy: 0.8299220660241687
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Energy: 0.4324543995319441
Energy: 0.02830969764422099
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Energy: 0.02773331451853818
Energy: 0.4324540290518624
Energy: 0.027649189486387216
Energy: 0.08921875741846398
Energy: 0.2724366152920978
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Energy: -0.35652808041581846
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Energy: 0.2519733774093988
Energy: 0.7156965780719516
Energy: 0.2515602224792763
Energy: 0.7156965780719516
Energy: 0.25189097779640407
Energy: -1.6968751405572193
Energy: -0.3692391589762309
Energy: -1.688889269598933
Energy: -0.35794864743037785
Energy: -1.6905975301516418
Energy: -0.3674321799664448
Energy: 0.09489876660210865
Energy: -0.02261636700644099
Energy: 0.09682667315400492
Energy: -0.022617492653647996
Energy: 0.0978088352497877
Energy: -0.022619181037290298
Energy: 0.4238476551897292
Energy: -0.29484379525155513
Energy: 0.4238476580936876
Energy: -0.2943686808454971
Energy: 0.4238476597282017
Energy: 0.047531754144321
Energy: 0.7071212503324444
Energy: 0.6273434553354627
Energy: 0.7071212503093735
Energy: 0.627343455336208
Energy: 0.7071212503093735
Energy: 0.6273434553354627
Energy: -0.30790573069350097
Energy: -0.05420452820492613
Energy: -0.30097459381886776
Energy: -0.058752147870010464
Energy: -0.30150185931423223
Energy: -0.058406029308474466
Energy: -0.35209907960078773
Energy: -0.3913340935186046
Energy: -0.352146002565303
Energy: -0.3839442568708164
Energy: -0.35176463395696717
Energy: -0.3907907871475778

minimum gb energy = -1.7166263896083132 eV
minimum distance =  2.34109943762848 Angstroms
sigma value = 17


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

Energy: 0.8098658587331732
Energy: 0.717247660706227
Energy: 0.8098658587321192
Energy: 0.7172476607072811
Energy: 0.8098658587331732
Energy: 0.717247660706227
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Energy: -0.8932974702369915
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Energy: 0.7493464567064949
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Energy: 0.6879009897787273
Energy: 0.5659408751563221
Energy: 0.6879009897797812
Energy: 0.565940875155268
Energy: 0.4637248976261787
Energy: 0.5091965325289058
Energy: 0.4637248976261787
Energy: 0.5095452078173104
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Energy: 0.5095511865227296
Energy: -1.2171907832331619
Energy: 0.5761037493661502
Energy: -1.1571445909785012
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Energy: -1.1783363101800433
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Energy: 0.5927353885580842
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Energy: 0.5784521971506793
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Energy: 0.5784521967735257
Energy: 0.6688425815333658
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Energy: -1.1341864682373357
Energy: 0.5775335904023319
Energy: -1.1565818986154432
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Energy: 0.5107223278342788
Energy: 0.7494604324855525
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Energy: 0.7199628107046239
Energy: 0.8256245926978409
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Energy: -0.8541846659542242
Energy: 0.6755493172576329
Energy: -1.1492318058709798
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Energy: -0.7680669889161184
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Energy: -1.195126598115704
Energy: 0.7501021635762096
Energy: -1.1930411938839152
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Energy: -0.7980275250304322
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Energy: 0.047484009578138
Energy: 0.7191079412898891
Energy: -1.1856284917651194
Energy: 0.7191079412888349
Energy: -1.1267066245807396

minimum gb energy = -1.2171907832331619 eV
minimum distance =  2.33496361795484 Angstroms
sigma value = 17


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

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Energy: 0.6786422773929415
Energy: 0.758205941373848
Energy: 0.6786422773970118
Energy: 0.7373590204318973
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Energy: 0.6114310950869775
Energy: 0.5492211401273485
Energy: 0.7697613310517494
Energy: 0.5492211401334539
Energy: 0.7697613310533404
Energy: 0.5492211401379313
Energy: 0.7697613310533404
Energy: 0.7132245908461766
Energy: 0.7030247750361256
Energy: 0.7132245908364078
Energy: 0.7030247750357186
Energy: 0.7132245907949276
Energy: 0.7030247750365327
Energy: 0.694481099951199
Energy: 0.688104280979916
Energy: 0.6944810999491638
Energy: 0.6881042809758459
Energy: 0.694481099949571
Energy: 0.6881042809786949
Energy: 0.758205941373848
Energy: 0.6786422773941626
Energy: 0.758205941373441
Energy: 0.6786422773966048
Energy: 0.758205941375883
Energy: 0.6786422773966048
Energy: 0.6568423873521492
Energy: 0.6656413232345342
Energy: 0.6568423873553685
Energy: 0.6656413232345342
Energy: 0.6568423873517422
Energy: 0.6656413232341272
Energy: 0.7590575619386646
Energy: 0.7458175888753151
Energy: 0.7590618760783026
Energy: 0.7458175888740941
Energy: 0.7590575619345944
Energy: 0.745817588874501
Energy: 0.5493675969088901
Energy: 0.6457844783499489
Energy: 0.549257995240284
Energy: 0.6458873915299976
Energy: 0.5493675969109253
Energy: 0.645817559278566
Energy: 0.6224269522416721
Energy: 0.6437141252908614
Energy: 0.6224269522437074
Energy: 0.6437141252928965
Energy: 0.6224269522461495
Energy: 0.6437141252920824

minimum gb energy = -0.9154891306721792 eV
minimum distance =  2.30126958281005 Angstroms
sigma value = 57


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

Energy: 0.5936029412772859
Energy: 0.5223989983068633
Energy: 0.593602941274635
Energy: 0.5223989983068633
Energy: 0.5936029412766232
Energy: 0.5223989983081888
Energy: 0.6055488578857449
Energy: 0.600587013937953
Energy: 0.6055488578857449
Energy: 0.600587013937953
Energy: 0.6055488578877333
Energy: 0.6005870139392784
Energy: 0.6429519470477846
Energy: 0.6460264791942762
Energy: 0.6429519470491101
Energy: 0.6460264791936136
Energy: 0.6429519470491101
Energy: 0.6460264791936136
Energy: 0.5799253843826174
Energy: 0.6875439625864413
Energy: 0.5799253843832802
Energy: 0.6875439625857785
Energy: 0.579925384383943
Energy: 0.6875439625857785
Energy: 0.5970825054859175
Energy: 0.573886796133918
Energy: 0.597082505487243
Energy: 0.5738867961332552
Energy: 0.5970825054865803
Energy: 0.5738867961352434
Energy: 0.63116563273056
Energy: 0.5966925788228128
Energy: 0.6311656327292345
Energy: 0.5966925788228128
Energy: 0.6311656327298973
Energy: 0.5966925788221501
Energy: 0.5702127125349018
Energy: 0.6675304433064579
Energy: 0.5702127125335763
Energy: 0.6675304433051324
Energy: 0.5702127125329135
Energy: 0.6675304433064579
Energy: 0.4946207808967521
Energy: 0.6650453419701576
Energy: 0.49576092687344825
Energy: 0.66504533622874
Energy: 0.49205674263465377
Energy: 0.6650453287887076
Energy: 0.6394265133931303
Energy: 0.5985333597823714
Energy: 0.6394265133931303
Energy: 0.5985333597810458
Energy: 0.6394265133931303
Energy: 0.598533359780383
Energy: 0.6101973853999586
Energy: 0.6431620237124506
Energy: 0.6101973854026096
Energy: 0.6431620237117878
Energy: 0.6101973854012842
Energy: 0.6431620237124506
Energy: 0.5481392688311889
Energy: 0.5299248910969909
Energy: 0.5481392688292008
Energy: 0.5282741788955696
Energy: 0.5481392688278753
Energy: 0.5284339243493608
Energy: 0.6575285766124815
Energy: 0.5705191765873165
Energy: 0.6575285766118188
Energy: 0.570519176588642
Energy: 0.6575285766124815
Energy: 0.5705191765846656
Energy: 0.6092389732349677
Energy: 0.6445246097200722
Energy: 0.6092389732356304
Energy: 0.6445246097200722
Energy: 0.6092389732349677
Energy: 0.6445246097200722
Energy: 0.600038365594917
Energy: 0.6354208404261996
Energy: 0.6000383655955797
Energy: 0.6354208404275251
Energy: 0.6000383655955797
Energy: 0.6354208404268623
Energy: 0.7009317198610253
Energy: 0.6107075974627096
Energy: 0.7009317198610253
Energy: 0.6107075974673487
Energy: 0.7009317198603625
Energy: 0.6107075974620468
Energy: 0.6071073068950126
Energy: 0.6094205517395602
Energy: 0.6071073068950126
Energy: 0.6094205517395602
Energy: 0.6071073068943499
Energy: 0.6094205517395602
Energy: 0.63789264462275
Energy: 0.6109170481165603
Energy: 0.6378926446220871
Energy: 0.610917048117223
Energy: 0.63789264462275
Energy: 0.6109170481165603
Energy: 0.5913232662219089
Energy: 0.6113662912811821
Energy: 0.5913232662225716
Energy: 0.6113662912811821
Energy: 0.5913232662232344
Energy: 0.6113662912798566
Energy: 0.5867199997222062
Energy: 0.6471707131540764
Energy: 0.5867199997215434
Energy: 0.647170713152751
Energy: 0.5867199997215434
Energy: 0.6471707131540764
Energy: 0.5909274076073687
Energy: 0.6842252399979685
Energy: 0.5909274076073687
Energy: 0.6842252399973058
Energy: 0.5909274076086942
Energy: 0.6842252399973058
Energy: 0.6051052769742641
Energy: 0.6272597714785026
Energy: 0.6051052769444405
Energy: 0.6272597714798281
Energy: 0.6051052768112891
Energy: 0.6272597714791655
Energy: 0.577728221152085
Energy: 0.6485685728374424
Energy: 0.577728221152085
Energy: 0.6485685728447326
Energy: 0.577728221152085
Energy: 0.6485685728467209
Energy: 0.6274027278459987
Energy: 0.6611183607149901
Energy: 0.6274027278459987
Energy: 0.6611183607149901
Energy: 0.627402727845336
Energy: 0.6611183607156529
Energy: 0.6595692230721222
Energy: 0.614448320712998
Energy: 0.6595692230734476
Energy: 0.6144483207149862
Energy: 0.6595692230714594
Energy: 0.6144483207143235
Energy: 0.48614345294742023
Energy: 0.6246838031157002
Energy: 0.5602408727134824
Energy: 0.624683803119014
Energy: 0.5604831567485676
Energy: 0.6246838031157002
Energy: 0.6070246289401335
Energy: 0.659940576674601
Energy: 0.6070246289401335
Energy: 0.659940576674601
Energy: 0.6070246289394708
Energy: 0.659940576674601
Energy: 0.5739122129080911
Energy: 0.6365946710195755
Energy: 0.5739122129080911
Energy: 0.6365946710189128
Energy: 0.5739122129074284
Energy: 0.6365946710175872

minimum gb energy = 0.48614345294742023 eV
minimum distance =  2.36743732823862 Angstroms
sigma value = 43


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

Energy: 0.5697072485719405
Energy: 0.523755508865509
Energy: 0.5697072485738719
Energy: 0.5237555088635776
Energy: 0.5697072485748378
Energy: 0.5237555088640605
Energy: 0.5912048603210361
Energy: 0.5845727540762361
Energy: 0.5912048603205533
Energy: 0.5845727540752703
Energy: 0.591204860321519
Energy: 0.5845727540747875
Energy: 0.5918483948453207
Energy: 0.5833398541422169
Energy: 0.5918483948482178
Energy: 0.583339854141734
Energy: 0.591848394843389
Energy: 0.583339854141734
Energy: 0.6181423519688922
Energy: 0.5734087456583357
Energy: 0.6181423519674435
Energy: 0.5734087456583357
Energy: 0.6181423519679264
Energy: 0.5734087456588185
Energy: 0.5923286173570077
Energy: 0.5441608611973718
Energy: 0.5923286173579735
Energy: 0.5441608611968889
Energy: 0.5923286173560419
Energy: 0.5441608611973718
Energy: 0.521455937818543
Energy: 0.520059806233861
Energy: 0.5214559378190259
Energy: 0.520059806233861
Energy: 0.5214559378175774
Energy: 0.5200598062343439
Energy: 0.4914386052889386
Energy: 0.5635553243232035
Energy: 0.49143860519433835
Energy: 0.5635553243236864
Energy: 0.491438604824146
Energy: 0.5635553243232035
Energy: 0.5916441635186516
Energy: 0.46801809894665236
Energy: 0.5916441635176859
Energy: 0.46801809894954965
Energy: 0.5916441635167202
Energy: 0.46801809894906676
Energy: 0.5065355659233081
Energy: 0.5106436932424614
Energy: 0.5065355659242737
Energy: 0.5106436932434272
Energy: 0.5065355659233081
Energy: 0.5106436932434272
Energy: 0.5981452053683396
Energy: 0.5377141214252349
Energy: 0.5981452053678566
Energy: 0.5377141214247521
Energy: 0.5981452053683396
Energy: 0.5377141214252349
Energy: 0.6602598178984266
Energy: 0.48387537791811336
Energy: 0.6602598178974608
Energy: 0.48387537233660716
Energy: 0.6602598178979437
Energy: 0.48387535388098596
Energy: 0.5134748219169673
Energy: 0.5119179165577263
Energy: 0.5134748219169673
Energy: 0.5119179165562777
Energy: 0.5134748219169673
Energy: 0.5119179165562777
Energy: 0.5983086196642883
Energy: 0.512236467837398
Energy: 0.5983086196642883
Energy: 0.512236467836915
Energy: 0.5983086196647711
Energy: 0.512236467836915
Energy: 0.6517761161257073
Energy: 0.49104001642087025
Energy: 0.6517761161257073
Energy: 0.49103958140284404
Energy: 0.6517761161257073
Energy: 0.4910387257858546
Energy: 0.5301214174124097
Energy: 0.5130054638972253
Energy: 0.5301214174128925
Energy: 0.5130054638957767
Energy: 0.5301214174124097
Energy: 0.5130054639006055
Energy: 0.5446585061408589
Energy: 0.5215154159714199
Energy: 0.5446585061394102
Energy: 0.5215154159719028
Energy: 0.5446585061413416
Energy: 0.5215154159704981
Energy: 0.49168359192377165
Energy: 0.4494198574379561
Energy: 0.491683591691112
Energy: 0.4493907313243574
Energy: 0.4916835905708336
Energy: 0.44947870196759193
Energy: 0.545685492143797
Energy: 0.48974354401955217
Energy: 0.545685492143797
Energy: 0.4897435440238542
Energy: 0.545685492143797
Energy: 0.48974354402293235
Energy: 0.5206687334833422
Energy: 0.5421754998764416
Energy: 0.520668733484308
Energy: 0.5421754998754759
Energy: 0.520668733484308
Energy: 0.542175499874993
Energy: 0.522987357420457
Energy: 0.5084078571954389
Energy: 0.5229873574195351
Energy: 0.5084078571997848
Energy: 0.522987357420457
Energy: 0.508407857198336
Energy: 0.5868446720748922
Energy: 0.5383653990433722
Energy: 0.5868446720739264
Energy: 0.5383653990428893
Energy: 0.5868446720744093
Energy: 0.5383653990424064
Energy: 0.5910921582096417
Energy: 0.5880434157193065
Energy: 0.5910921582096417
Energy: 0.5880434157193065
Energy: 0.5910921582101246
Energy: 0.5880434157197895
Energy: 0.5574441482818125
Energy: 0.5840029051881325
Energy: 0.5574441482818125
Energy: 0.5840029051890983
Energy: 0.5574441482818125
Energy: 0.5840029051886153
Energy: 0.5408001651008878
Energy: 0.5267308202420039
Energy: 0.5408001651028194
Energy: 0.5267308202420039
Energy: 0.540800165088333
Energy: 0.5267308202420039
Energy: 0.5454109984413085
Energy: 0.5376250851927894
Energy: 0.5454109984413085
Energy: 0.5376250851932723
Energy: 0.5454109984422743
Energy: 0.537625085190858
Energy: 0.5485518665363538
Energy: 0.5664681614344867
Energy: 0.5485518665363538
Energy: 0.5664681614335209
Energy: 0.5485518665358708
Energy: 0.5664681614344867
Energy: 0.43380398835439493
Energy: 0.5062474369576025
Energy: 0.43493940738819437
Energy: 0.5062474369580854
Energy: 0.5803596713699545
Energy: 0.5062474369590512
Energy: 0.5141961356631468
Energy: 0.56653424113827
Energy: 0.5141961356626639
Energy: 0.56653424113827
Energy: 0.5141961356616982
Energy: 0.5665342411368213
Energy: 0.5051044866293406
Energy: 0.5376129835779994
Energy: 0.5051044866288579
Energy: 0.537612983578965
Energy: 0.5051044866283749
Energy: 0.537612983578965
Energy: 0.5273192809051411
Energy: 0.4682645318693983
Energy: 0.5273192809070726
Energy: 0.4679578224506693
Energy: 0.5273192809036924
Energy: 0.4291257028091179
Energy: 0.4522768080455886
Energy: 0.5700343528216444
Energy: 0.45227680804703724
Energy: 0.5700343528221272
Energy: 0.5034732877462214
Energy: 0.5700343528226102
Energy: 0.5056687482865493
Energy: 0.5222656165739681
Energy: 0.5056687482870322
Energy: 0.5222656165739681
Energy: 0.5056687482870322
Energy: 0.5222656165734851
Energy: 0.5109190650589036
Energy: 0.5760724815921829
Energy: 0.5109190650342766
Energy: 0.5760724815926659
Energy: 0.5109190649985437
Energy: 0.5760724815921829
Energy: 0.4864193578145174
Energy: 0.43880712664598426
Energy: 0.48641935504112604
Energy: 0.4387671977121186
Energy: 0.48641929217072355
Energy: 0.4388903819158822
Energy: 0.5058440251543683
Energy: 0.5058028786302301
Energy: 0.5058440251543683
Energy: 0.5058028786302301
Energy: 0.5058440251553341
Energy: 0.5058028786287815
Energy: 0.46066441043345163
Energy: 0.4985638701940656
Energy: 0.4606644104339346
Energy: 0.49856387019454856
Energy: 0.46066441043345163
Energy: 0.49856387019358284

minimum gb energy = 0.4291257028091179 eV
minimum distance =  2.35593639186708 Angstroms
sigma value = 81


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

Energy: -0.034422553588385446
Energy: -0.006843251380976795
Energy: -0.034422553588385446
Energy: -0.006843251380976795
Energy: -0.034422553588385446
Energy: -0.006843251380976795
Energy: 0.7344746831953884
Energy: 0.041306074782526174
Energy: 0.7344746831953884
Energy: 0.04130607478075196
Energy: 0.7344746831953884
Energy: 0.04130607478075196
Energy: 0.734470068656444
Energy: 0.04109182450416625
Energy: 0.734470068656444
Energy: 0.04109182450239204
Energy: 0.734470068656444
Energy: 0.04109182450416625
Energy: -0.034422553588385446
Energy: -0.006843251380976795
Energy: -0.034422553588385446
Energy: -0.006843251380976795
Energy: -0.034422553588385446
Energy: -0.006843251380976795
Energy: 0.7344746831953884
Energy: 0.04130607477542933
Energy: 0.7344746831953884
Energy: 0.04130607477720354
Energy: 0.7344746831953884
Energy: 0.04130607477542933
Energy: 0.734470068656444
Energy: 0.041091824514811505
Energy: 0.734470068656444
Energy: 0.041091824514811505
Energy: 0.734470068656444
Energy: 0.04109182451303729
Energy: -0.034422553588385446
Energy: -0.006843251380976795
Energy: -0.034422553588385446
Energy: -0.006843251380976795
Energy: -0.034422553588385446
Energy: -0.006843251380976795
Energy: 0.7344746831953884
Energy: 0.0413060747683325
Energy: 0.7344746831936144
Energy: 0.0413060747683325
Energy: 0.7344746831953884
Energy: 0.0413060747683325
Energy: 0.7344700686528955
Energy: 0.041091824525456754
Energy: 0.7344700686528955
Energy: 0.041091824525456754
Energy: 0.7344700686528955
Energy: 0.041091824525456754
Energy: -0.034422553588385446
Energy: -0.006843251380976795
Energy: -0.034422553588385446
Energy: -0.006843251380976795
Energy: -0.034422553588385446
Energy: -0.006843251380976795

minimum gb energy = -0.034422553588385446 eV
minimum distance =  2.52924490369083 Angstroms
sigma value = 3


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

Energy: 0.3619440044529465
Energy: 0.3546895525532247
Energy: 0.3619440044534774
Energy: 0.3546895525537556
Energy: 0.3619440044529465
Energy: 0.3546895525532247
Energy: 0.22007222320313313
Energy: 0.28282113445407386
Energy: 0.22007222320313313
Energy: 0.282821134453012
Energy: 0.22007222320472591
Energy: 0.28282113445407386
Energy: 0.3416486562234172
Energy: 0.26812151170775694
Energy: 0.34164865621386037
Energy: 0.26812151170775694
Energy: 0.34164865618359697
Energy: 0.26812151170775694
Energy: 0.2971003637162497
Energy: 0.28544450476103433
Energy: 0.2971003637157188
Energy: 0.28544446618169483
Energy: 0.2971003637157188
Energy: 0.28544441081310984
Energy: 0.287991759482147
Energy: 0.28322718837310124
Energy: 0.2879917594885183
Energy: 0.28322718837310124
Energy: 0.2879917594853327
Energy: 0.28322718837310124
Energy: 0.3358896576805682
Energy: 0.29917801610688094
Energy: 0.33588965767265244
Energy: 0.29917801610688094
Energy: 0.33588965763867246
Energy: 0.29917801610688094
Energy: 0.3135015618594966
Energy: 0.4333103117124451
Energy: 0.3135015618594966
Energy: 0.4333103117119142
Energy: 0.31350156185896566
Energy: 0.4333103117113833
Energy: 0.1515260705142894
Energy: 0.2855742188384984
Energy: 0.1515260705057944
Energy: 0.2855742188384984
Energy: 0.1515260705142894
Energy: 0.2855742188384984
Energy: 0.3470587026159268
Energy: 0.3103708933819766
Energy: 0.34705870261433397
Energy: 0.3103708933819766
Energy: 0.34705870261380306
Energy: 0.31037089338144563
Energy: 0.3132019088785695
Energy: 0.27819063652208637
Energy: 0.3132019088785695
Energy: 0.2781906364190846
Energy: 0.3132019088780386
Energy: 0.27819063618083867
Energy: -1.2530653862339363
Energy: 0.2855029702085191
Energy: -1.2006256472664214
Energy: 0.2855029702085191
Energy: -1.2003537715062638
Energy: 0.28550297020905
Energy: 0.3600103378016549
Energy: 0.35515247536839367
Energy: 0.36001033842309266
Energy: 0.35515216341358313
Energy: 0.36001032588795673
Energy: 0.35515172483557783
Energy: 0.2849242842033132
Energy: 0.24635537079685485
Energy: 0.28492428420384414
Energy: 0.24635537079738581
Energy: 0.2849242842033132
Energy: 0.2463553707963239
Energy: 0.42242377703457135
Energy: 0.2658451178086492
Energy: 0.42242377703510237
Energy: 0.2658451178075874
Energy: 0.4224237770361642
Energy: 0.2658451178086492
Energy: 0.3132479978864787
Energy: 0.3390198875350015
Energy: 0.3132479978864787
Energy: 0.3390198875238518
Energy: 0.3132479978870097
Energy: 0.339019887513764
Energy: 0.2847236451753649
Energy: 0.2895117463919062
Energy: 0.28472364517642684
Energy: 0.2895117463919062
Energy: 0.28472364517642684
Energy: 0.2895117463919062
Energy: 0.26131754793311673
Energy: 0.4114471364774624
Energy: 0.26131754794161177
Energy: 0.4114471364774624
Energy: 0.26131754793470957
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Energy: 0.2712280935315804
Energy: 0.2985016204530357
Energy: 0.2712280935315804
Energy: 0.2985015910585706
Energy: 0.2712280935315804
Energy: 0.29850155192251937
Energy: 0.28432328282349334
Energy: 0.224856227938041
Energy: 0.2843232828240243
Energy: 0.22485622794919072
Energy: 0.28432328282349334
Energy: 0.22485622793538632
Energy: 0.31672228101080935
Energy: 0.32576087688260785
Energy: 0.31672228085794774
Energy: 0.3257608768831388
Energy: 0.31672228046684014
Energy: 0.32576087688207694
Energy: 0.2694326372285055
Energy: 0.14680535805957498
Energy: 0.2694326372285055
Energy: 0.14680535805904404
Energy: 0.2694326372285055
Energy: 0.1468053580601059
Energy: 0.2702189223909021
Energy: 0.2970181759049304
Energy: 0.2702189223909021
Energy: 0.2970181759049304
Energy: 0.2702189223909021
Energy: 0.29701817590439944
Energy: 0.32956095707128347
Energy: 0.27176846713786346
Energy: 0.28083755242122704
Energy: 0.27176846713839437
Energy: 0.2801976282568937
Energy: 0.2717684671373325
Energy: 0.25096624718372185
Energy: 0.1492497807269321
Energy: 0.25087015797396267
Energy: 0.14924978072640113
Energy: 0.22005334673086424
Energy: 0.1492497807269321
Energy: 0.2842924322923399
Energy: 0.3213122415144853
Energy: 0.2842924322923399
Energy: 0.3213122413287056
Energy: 0.284292432291809
Energy: 0.32131224114934537
Energy: 0.3405858542006276
Energy: 0.2831326514012249
Energy: 0.34058585420115856
Energy: 0.2831326514012249
Energy: 0.3405858542069989
Energy: 0.28313265140069394
Energy: 0.3114687273497789
Energy: 0.2031689975014386
Energy: 0.3114687130749551
Energy: 0.2031689975014386
Energy: 0.3114686518139817
Energy: 0.2031689975014386
Energy: 0.31293409768777997
Energy: 0.3536800821930351
Energy: 0.31293409768724906
Energy: 0.3536800821925042
Energy: 0.31293409768724906
Energy: 0.35368008219091135
Energy: 0.38500363301686685
Energy: 0.2830088932523302
Energy: 0.38500363301633594
Energy: 0.2830088932523302
Energy: 0.385003633015805
Energy: 0.2830088932523302
Energy: 0.31476080748002117
Energy: 0.4194068496096746
Energy: 0.3147608074847513
Energy: 0.4194068496096746
Energy: 0.3147608074269274
Energy: 0.4194068496080819
Energy: 0.338600445245667
Energy: 0.3515701457909222
Energy: 0.3386004452451361
Energy: 0.3515701457909222
Energy: 0.3386004452451361
Energy: 0.35157014578986034
Energy: 0.350510385261337
Energy: 0.2986232191301964
Energy: 0.350510385260806
Energy: 0.2986232191301964
Energy: 0.3505103852618679
Energy: 0.29862321912966544
Energy: 0.26932487701582836
Energy: 0.3316067474544637
Energy: 0.2693248770147665
Energy: 0.33160674745552554
Energy: 0.26932487701582836
Energy: 0.33160674745499463

minimum gb energy = -1.2530653862339363 eV
minimum distance =  2.37153504800186 Angstroms
sigma value = 67


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

Energy: 0.6115605585615517
Energy: 0.42676395591764854
Energy: 0.6115605585623082
Energy: 0.42676395591916155
Energy: 0.6115605585615517
Energy: 0.4267639559184051
Energy: 0.4121297839049866
Energy: 0.051011371399870574
Energy: 0.41212978390423005
Energy: 0.05101137139835753
Energy: 0.41212978390423005
Energy: 0.05101137139911406
Energy: 0.47540534464257866
Energy: 0.046829763784934586
Energy: 0.47540534464257866
Energy: 0.046829763787204166
Energy: 0.475405344638796
Energy: 0.046829763784934586
Energy: 0.05943003059954085
Energy: 0.5076174140912962
Energy: 0.059430030602566956
Energy: 0.5076174140905397
Energy: 0.05943003059878433
Energy: 0.5076174140897833
Energy: 0.4611459527896977
Energy: 0.2733275676632602
Energy: 0.4611459527896977
Energy: 0.2733275676632602
Energy: 0.4611459527896977
Energy: 0.2733275676625037
Energy: 0.485039152833384
Energy: 0.42616028385051374
Energy: 0.48503915283489707
Energy: 0.42616028385051374
Energy: 0.4850391528356535
Energy: 0.4261602838497572
Energy: 0.3085584436880905
Energy: 0.4944667251037824
Energy: 0.3085584436880905
Energy: 0.49446672509999984
Energy: 0.3085584436880905
Energy: 0.49446672509773026
Energy: 0.5508605788574411
Energy: 0.28689709600414526
Energy: 0.5508605788566846
Energy: 0.28689709600490176
Energy: 0.5508605788566846
Energy: 0.2868970960064148
Energy: 0.49881074240013795
Energy: -2.2477274417602553
Energy: 0.4988107424008945
Energy: -2.072818801999884
Energy: 0.4988107424024076
Energy: -2.2339363948786253
Energy: 0.430783612771795
Energy: 0.46275176671502055
Energy: 0.43078361277103855
Energy: 0.46275176671350743
Energy: 0.430783612771795
Energy: 0.46275176671350743
Energy: 0.44503487848501355
Energy: 0.4319075544015837
Energy: 0.4450345687505772
Energy: 0.43190755440234013
Energy: 0.44503380794294894
Energy: 0.4319075544015837
Energy: 0.42904609926157017
Energy: 0.42024247688703414
Energy: 0.4290460992630832
Energy: 0.4202110485388875
Energy: 0.42904609926232673
Energy: 0.4201548476224917
Energy: 0.43093288052801443
Energy: 0.43837898200110365
Energy: 0.43093288052650147
Energy: 0.4383789819980776
Energy: 0.43093288052725787
Energy: 0.4383789819980776
Energy: 0.4685849414427755
Energy: 0.06485187538993886
Energy: 0.468584941442019
Energy: 0.06485187540506938
Energy: 0.468584941442019
Energy: 0.06485187539296496
Energy: 0.36985792354330943
Energy: 0.3942850553741751
Energy: 0.36985792354406594
Energy: 0.39428505537493164
Energy: 0.36985792354406594
Energy: 0.3942850553658533
Energy: 0.059464476628686286
Energy: 0.44130638234046743
Energy: 0.05946447663019934
Energy: 0.44130638234046743
Energy: 0.059464476628686286
Energy: 0.44130638234046743
Energy: 0.4941874353652059
Energy: 0.062133561924851186
Energy: 0.4941874353319187
Energy: 0.06213356192560772
Energy: 0.49418743523439573
Energy: 0.062133561924851186
Energy: 0.34444968767425194
Energy: 0.4344282714841587
Energy: 0.3444496876734955
Energy: 0.4344282714841587
Energy: 0.3444496876750085
Energy: 0.4344282714849152
Energy: 0.5201963503880097
Energy: 0.4724140613007553
Energy: 0.5201963502753563
Energy: 0.4724140613007553
Energy: 0.5201963505490809
Energy: 0.47241406129924235
Energy: 0.43766945897727083
Energy: 0.05125364907212125
Energy: 0.43766945897727083
Energy: 0.051253649074390825
Energy: 0.4376694589810534
Energy: 0.0512536490736343
Energy: 0.35486587512889256
Energy: 0.441679025987321
Energy: -2.399491740947915
Energy: 0.441679025987321
Energy: -2.549790300931059
Energy: 0.4416790259880775
Energy: 0.27317666769086296
Energy: -2.2389924341445693
Energy: 0.27317666769086296
Energy: -2.187844851893358
Energy: 0.27317666768859333
Energy: -2.1279977665189866
Energy: 0.47344820366643914
Energy: 0.04723462734761135
Energy: 0.4734482036671957
Energy: 0.04723462734761135
Energy: 0.47344820366643914
Energy: 0.047234627346854824

minimum gb energy = -2.549790300931059 eV
minimum distance =  2.36491481326328 Angstroms
sigma value = 33


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

Energy: 0.45073413538483054
Energy: 0.567223349253437
Energy: 0.4507341353862702
Energy: 0.5672233492539168
Energy: 0.4507341353862702
Energy: 0.5672233492539168
Energy: 0.4935951844492224
Energy: 0.3836009343771993
Energy: 0.49359518444970235
Energy: 0.38360093437911896
Energy: 0.49359518445066225
Energy: 0.383600934378639
Energy: 0.4323133691229301
Energy: 0.3707844620701873
Energy: 0.4323133691229301
Energy: 0.3707844620692274
Energy: 0.43231336912484986
Energy: 0.3707844620692274
Energy: 0.3892483675599036
Energy: 0.6055553780089598
Energy: 0.38924836756182324
Energy: 0.6055553780099197
Energy: 0.3892483675613433
Energy: 0.6055553780094398
Energy: 0.5820558986280614
Energy: 0.4175164524199701
Energy: 0.5820558986275814
Energy: 0.41751645242045
Energy: 0.5820558986275814
Energy: 0.41751645242092994
Energy: -1.2512420005342575
Energy: 0.605471170178585
Energy: -0.990461268433127
Energy: -0.7341935815149339
Energy: -1.2791944000869369
Energy: 0.5799501483329932
Energy: 0.371025610982605
Energy: 0.6077126456892983
Energy: 0.37102561098404485
Energy: 0.6077126456897781
Energy: 0.3710256109835649
Energy: 0.6077126456883385
Energy: 0.6772521684441037
Energy: 0.5623683663084069
Energy: 0.6772521684445837
Energy: 0.5623683663088869
Energy: 0.6772521684450636
Energy: 0.5623683663088869
Energy: 0.5256689906507074
Energy: 0.5594511382326923
Energy: 0.5256689906511874
Energy: 0.5594511382307727
Energy: 0.5256689906511874
Energy: 0.559451138241811
Energy: 0.07126437534795589
Energy: 0.6360710095108101
Energy: 0.07126437534699605
Energy: 0.6796178419635488
Energy: 0.07126437534795589
Energy: 0.5671891209596188
Energy: 0.5876437268500196
Energy: 0.42119536710479333
Energy: 0.5876437268509794
Energy: 0.42119536710383343
Energy: 0.5876437268500196
Energy: 0.4211953671052732
Energy: 0.5080395319626754
Energy: 0.5394465117510182
Energy: 0.5080395319617155
Energy: 0.5394465117510182
Energy: 0.5080395319621954
Energy: 0.5394465117514982
Energy: 0.082247478724774
Energy: 0.4526459201709889
Energy: 0.08224747872669372
Energy: 0.4526459201709889
Energy: 0.08224747873821191
Energy: 0.4526459201700291
Energy: 0.5169215966083978
Energy: 0.3828654637774497
Energy: 0.5169215966079179
Energy: 0.3828654637764899
Energy: 0.5169215966088777
Energy: 0.3828654637784096
Energy: 0.45315111279686415
Energy: 0.5310005660433887
Energy: 0.4531511127973441
Energy: 0.5310005660443486
Energy: 0.45315111279686415
Energy: 0.5310005660448287
Energy: 0.3903770711600175
Energy: 0.5231500813039492
Energy: 0.3903770711609774
Energy: 0.5231500812809129
Energy: 0.39037707115905773
Energy: 0.5231500812555204
Energy: 0.5864600205386461
Energy: 0.3709049037672579
Energy: 0.5864600205391259
Energy: 0.370904903766778
Energy: 0.5864600205391259
Energy: 0.37090490376629803
Energy: 0.45231716300843827
Energy: -1.3077939455478829
Energy: 0.4523184895981731
Energy: -1.233602893905559
Energy: 0.45231408016762964
Energy: -1.2961123059901276
Energy: 0.4904732795238327
Energy: 0.636595544234249
Energy: 0.4904732795252724
Energy: 0.6365955442337692
Energy: 0.4904732795257523
Energy: 0.6365955442347291
Energy: 0.6074028934319089
Energy: 0.3837504858752635
Energy: 0.6074028934333487
Energy: 0.3837504858863018
Energy: 0.6074028934319089
Energy: 0.38375048587478355
Energy: 0.37203581937667796
Energy: 0.5217059844087342
Energy: 0.372035819376198
Energy: 0.5217059842830375
Energy: 0.37203581937523816
Energy: 0.5217059841170707
Energy: 0.48243128709153377
Energy: 0.5689270515460015
Energy: 0.4824312870924936
Energy: 0.5689270515455217
Energy: 0.4824312870910539
Energy: 0.5689270515455217
Energy: 0.6138700150484733
Energy: 0.39344489784885495
Energy: 0.6138700060193347
Energy: 0.393444897848375
Energy: 0.6138699793957889
Energy: 0.3934448978493349
Energy: 0.0727278813963658
Energy: 0.5209238851385116
Energy: 0.07272788139684572
Energy: 0.5209238851361121
Energy: 0.0727278813963658
Energy: 0.5209238851370718
Energy: 0.3750983957302969
Energy: 0.5209615261958518
Energy: 0.3750983957302969
Energy: 0.520961526195372
Energy: 0.37509839572981696
Energy: 0.5209615261963317
Energy: 0.6800059017709578
Energy: 0.524368507343836
Energy: 0.6800059017704778
Energy: 0.5243685073447957
Energy: 0.6800059017704778
Energy: 0.5243685073428761
Energy: 0.3722151877325403
Energy: 0.5590267534522897
Energy: 0.3722151877325403
Energy: 0.5590267534527695
Energy: 0.3722151877306206
Energy: 0.5590267534551692
Energy: 0.3725998510967205
Energy: 0.5978514892430823
Energy: 0.3725998510957607
Energy: -0.6862842314227424
Energy: 0.37259985109720045
Energy: -0.31607064828606596
Energy: 0.6140349652870409
Energy: 0.3942196014911388
Energy: 0.614034965286561
Energy: 0.3942196014935384
Energy: 0.6140349652856012
Energy: 0.39421960149257856
Energy: 0.3906811117516317
Energy: 0.6072189954852744
Energy: 0.39068111175019193
Energy: 0.6072189954847945
Energy: 0.3906811117511518
Energy: 0.6072189954847945
Energy: 0.4727975856958019
Energy: -1.0825312625609418
Energy: -1.5414209918306674
Energy: -1.3689693035540016
Energy: -0.6010876003333845
Energy: -1.2296120747597903
Energy: 0.5727666790516814
Energy: 0.3810552297433626
Energy: 0.5727666790512015
Energy: 0.38105522974240275
Energy: 0.5727666790512015
Energy: 0.38105522974240275
Energy: 0.49051167445695093
Energy: 0.5214065597152435
Energy: 0.4905116744559911
Energy: 0.5214065596586559
Energy: 0.4905116744555111
Energy: 0.521406559572313
Energy: 0.2534363307764097
Energy: 0.38380398360300105
Energy: 0.2534363307735301
Energy: 0.38380398360156126
Energy: 0.25343633077449
Energy: 0.38380398360156126
Energy: 0.5454958173084224
Energy: 0.37159717475076876
Energy: 0.5454958173074627
Energy: 0.37159717474932896
Energy: 0.5454958173084224
Energy: 0.3715971747502888
Energy: 0.08271804498482428
Energy: 0.4683181097622512
Energy: 0.08271804499250307
Energy: 0.4683181097608115
Energy: 0.08271804498242465
Energy: 0.4683181097632111
Energy: 0.5116605875913801
Energy: 0.49140203840120694
Energy: 0.5116605875904203
Energy: 0.49140203840120694
Energy: 0.5116605875913801
Energy: 0.4914020384007271

minimum gb energy = -1.5414209918306674 eV
minimum distance =  2.37996246975029 Angstroms
sigma value = 41


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

Energy: 0.7011303951292847
Energy: 0.7287657159009535
Energy: 0.701130395130595
Energy: 0.7287657159009535
Energy: 0.7011303951292847
Energy: 0.7287657159009535
Energy: 0.7555638209615746
Energy: 0.7267924192142221
Energy: 0.7555638209628849
Energy: 0.7267924192142221
Energy: 0.7555638209615746
Energy: 0.7267924192155324
Energy: 0.8217362125283841
Energy: 0.7250294571455195
Energy: 0.931820854371848
Energy: 0.7250294571455195
Energy: 0.7968365005360066
Energy: 0.7250294571455195
Energy: 0.6975031572661118
Energy: 0.8130392520009025
Energy: 0.6975031572661118
Energy: 0.8130392520009025
Energy: 0.6975031572674221
Energy: 0.8130392520009025
Energy: 0.7933891931176037
Energy: 0.7324753610837291
Energy: 0.7933891931176037
Energy: 0.7324753610837291
Energy: 0.7933891931162933
Energy: 0.7324753610824188
Energy: 0.8111316004123388
Energy: 0.8074373825493344
Energy: 0.8111316004123388
Energy: 0.8074373825506448
Energy: 0.8111316004123388
Energy: 0.8074373825493344
Energy: 0.6941376789578423
Energy: 0.7746598843363772
Energy: 0.6941376789578423
Energy: 0.7746598843363772
Energy: 0.6941376789578423
Energy: 0.7746598843376876
Energy: 0.7422750740700613
Energy: 0.7273306486956017
Energy: 0.7422750740713717
Energy: 0.727330648696912
Energy: 0.7422750740713717
Energy: 0.727330648696912
Energy: 0.7604922358796834
Energy: 0.7483027639444714
Energy: 0.7604922358796834
Energy: 0.7483027639431611
Energy: 0.7604922358796834
Energy: 0.7483027639431611
Energy: 0.6965362414487802
Energy: 0.7979743660878341
Energy: 0.69653624144747
Energy: 0.7979743660865238
Energy: 0.69653624144747
Energy: 0.7979743660878341
Energy: 0.754584046630032
Energy: 0.7252473663653989
Energy: 0.754584046630032
Energy: 0.7252473663653989
Energy: 0.754584046630032
Energy: 0.7252473663653989
Energy: 0.7540284133112666
Energy: 0.7257903697273395
Energy: 0.7540284133112666
Energy: 0.7257903697273395
Energy: 0.7540284133112666
Energy: 0.7257903697273395
Energy: 0.7310486927584728
Energy: 0.8100724053557667
Energy: 0.7310486927571626
Energy: 0.8100724053596978
Energy: 0.7310486927584728
Energy: 0.8100724053610081
Energy: 0.7925241181764847
Energy: 0.7267676775199153
Energy: 0.7925241181764847
Energy: 0.7267676775199153
Energy: 0.7925241181764847
Energy: 0.7267676775199153

minimum gb energy = 0.6941376789578423 eV
minimum distance =  2.37072993047085 Angstroms
sigma value = 11


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

Energy: 0.852975057277326
Energy: 0.9158054876753406
Energy: 0.8529750572784773
Energy: 0.9158054876759163
Energy: 0.852975057277326
Energy: 0.9158054876759163
Energy: 0.9102430077904919
Energy: 0.8675462675294188
Energy: 0.9102430077910675
Energy: 0.8675462675299943
Energy: 0.9102430077904919
Energy: 0.8675462675294188
Energy: 1.004742732032057
Energy: 0.8844597252325522
Energy: 1.004742732032057
Energy: 0.8844597252325522
Energy: 1.004742732032057
Energy: 0.8844597252325522
Energy: 0.8475897085760496
Energy: 0.955119394389698
Energy: 0.8475897085754738
Energy: 0.9551193943908493
Energy: 0.8475897085760496
Energy: 0.9551193943902735
Energy: 0.9812798314486995
Energy: 0.9084651953316069
Energy: 0.9812798198589483
Energy: 0.9084651953321824
Energy: 0.98127978235951
Energy: 0.9084651953321824
Energy: 0.8780311901872773
Energy: 0.9276520906276717
Energy: 0.878031190186126
Energy: 0.9276520906276717
Energy: 0.878031190186126
Energy: 0.9276520906282473
Energy: 0.873257045814477
Energy: 1.0036288293763889
Energy: 0.873257045814477
Energy: 1.0036288293763889
Energy: 0.873257045814477
Energy: 1.0036288293763889
Energy: 0.9677578006722358
Energy: 0.8636132909825118
Energy: 0.967757800670509
Energy: 0.8636132909825118
Energy: 0.9677578006722358
Energy: 0.8636132909825118
Energy: 0.9570950907356951
Energy: 0.8645725973871132
Energy: 0.9570950907356951
Energy: 0.8645725973871132
Energy: 0.9570950907362706
Energy: 0.8645725973871132
Energy: 0.8968635936403072
Energy: 0.9663793947261277
Energy: 0.8968635936403072
Energy: 0.9663793947186445
Energy: 0.8968635936403072
Energy: 0.966379394716342
Energy: 0.9657909144811577
Energy: 0.8995973684209972
Energy: 0.9657909144811577
Energy: 0.8995973684209972
Energy: 0.9657909144811577
Energy: 0.8995973684209972
Energy: 0.9560974666793051
Energy: 0.9297165969542319
Energy: 0.9560974666798806
Energy: 0.9297165969536562
Energy: 0.9560974666798806
Energy: 0.9297165969536562
Energy: 0.8660892271412619
Energy: 0.9520484909899548
Energy: 0.8660892271406864
Energy: 0.952048490989379
Energy: 0.8660892271435645
Energy: 0.9520484909899548
Energy: 1.0267501784228652
Energy: 0.8589253774023
Energy: 1.0267501784228652
Energy: 0.8589253774023
Energy: 1.0267501784228652
Energy: 0.8589253774028757
Energy: 0.9302040355400167
Energy: 0.8843438697096508
Energy: 0.9454422977606275
Energy: 0.8843438697108021
Energy: 0.945442297761203
Energy: 0.8843438697108021
Energy: 0.8820134442599146
Energy: 0.9463835123776234
Energy: 0.8820134442633684
Energy: 0.9463835123776234
Energy: 0.8820134442633684
Energy: 0.9463835123776234
Energy: 0.9461396766206821
Energy: 0.8917302487952808
Energy: 0.9461396766206821
Energy: 0.8917302487952808
Energy: 0.9461396766206821
Energy: 0.8917302487958564
Energy: 0.9411671975534667
Energy: 0.9417058398912077
Energy: 0.941167197554618
Energy: 0.9417058398912077
Energy: 0.941167197554618
Energy: 0.9417058398912077
Energy: 0.8969769786340732
Energy: 0.9385260110855608
Energy: 0.8969769786329219
Energy: 0.9385260110861365
Energy: 0.8969769786340732
Energy: 0.9385260110855608
Energy: 0.9321148068307618
Energy: 0.879332276464328
Energy: 0.9321148067450454
Energy: 0.8793322764637524
Energy: 0.9321148064959024
Energy: 0.8793322764637524
Energy: 0.8789898873455032
Energy: 0.9231809414591291
Energy: 0.8789898873478057
Energy: 0.9231809414585535
Energy: 0.8789898873472302
Energy: 0.9231809414597049
Energy: 0.8255025819990621
Energy: 0.9995416725631409
Energy: 0.8255025819990621
Energy: 0.9995416725562333
Energy: 0.8255025819984865
Energy: 0.9995416725625653
Energy: 0.9748100094148111
Energy: 0.8851919618308602
Energy: 0.9748100094153869
Energy: 0.8851919618308602
Energy: 0.9748100094148111
Energy: 0.8851919618308602
Energy: 0.9581379540269805
Energy: 0.8679676795456139
Energy: 0.9581379540275561
Energy: 0.8679676795456139
Energy: 0.9581379540269805
Energy: 0.8679676795450384
Energy: 0.8963357600822855
Energy: 0.9535618526596857
Energy: 0.8963357600828611
Energy: 0.9535618526591101
Energy: 0.8963357600828611
Energy: 0.9535618526596857
Energy: 0.9830964922102081
Energy: 0.8850033396926208
Energy: 0.9830964922096326
Energy: 0.8850033396908938
Energy: 0.9830964922096326
Energy: 0.8850033396920453
Energy: 0.8905135950742493
Energy: 1.0150306096733204
Energy: 0.8905135950742493
Energy: 1.015030609673896
Energy: 0.8905135950742493
Energy: 1.0150306096744715
Energy: 0.8665904443684866
Energy: 0.9210879290219749
Energy: 0.866590444367911
Energy: 0.9210879290225504
Energy: 0.866590444369638
Energy: 0.9210879290231261
Energy: 0.9571362295895545
Energy: 0.857091750909201
Energy: 0.95713622959013
Energy: 0.8570917509086253
Energy: 0.95713622959013
Energy: 0.8570917509063228
Energy: 0.9086677127066436
Energy: 0.8892774827770099
Energy: 0.9086677127066436
Energy: 0.8892774827758586
Energy: 0.9086677127066436
Energy: 0.8892774827770099
Energy: 0.8957201248561862
Energy: 0.9929476132899551
Energy: 0.8957201248561862
Energy: 0.9929476132899551
Energy: 0.8957201248561862
Energy: 0.9929476132911064

minimum gb energy = 0.8255025819984865 eV
minimum distance =  2.31957053165369 Angstroms
sigma value = 57


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

Energy: 0.9676966347436101
Energy: 1.0178985619503893
Energy: 0.9676966347436101
Energy: 1.0178985619503893
Energy: 0.9676966347436101
Energy: 1.0178985619514138
Energy: 0.9625305995440544
Energy: 1.1955890308383819
Energy: 0.9625305995430299
Energy: 1.1955890308383819
Energy: 0.9625305995430299
Energy: 1.1955890308383819
Energy: 1.1365466250162357
Energy: 1.0235405120751002
Energy: 1.1365466250152114
Energy: 1.0235405120751002
Energy: 1.1365466250152114
Energy: 1.0235405120751002
Energy: 0.9591070071929653
Energy: 1.229517981648345
Energy: 0.959107007191941
Energy: 1.1046056746300135
Energy: 0.9591070071939896
Energy: 1.1046056746300135
Energy: 1.136516181629668
Energy: 1.0234086781269447
Energy: 1.1365161816286438
Energy: 1.0234086781269447
Energy: 1.136516181629668
Energy: 1.0234086781269447
Energy: 0.9624665625506419
Energy: 1.1825609212213892
Energy: 0.9624665625506419
Energy: 1.0133261714110748
Energy: 0.9624665625496176
Energy: 1.0133261714120991
Energy: 0.9676966347436101
Energy: 1.0178985619514138
Energy: 0.9676966347436101
Energy: 1.0178985619514138
Energy: 0.9676966347425856
Energy: 1.0178985619503893
Energy: 0.9625305995440544
Energy: 1.1955890308373576
Energy: 0.9625305995430299
Energy: 1.1955890308373576
Energy: 0.9625305995440544
Energy: 1.1955890308383819
Energy: 1.1365466250162357
Energy: 1.0235405120761247
Energy: 1.1365466250162357
Energy: 1.023540512077149
Energy: 1.1365466250141871
Energy: 1.0235405120761247
Energy: 0.959107007191941
Energy: 1.1524732090549057
Energy: 0.959107007191941
Energy: 1.1524732090538814
Energy: 0.9591070071970625
Energy: 1.1524732090549057
Energy: 1.1365161816286438
Energy: 1.0234086781279688
Energy: 1.1365161816286438
Energy: 1.0234086781269447
Energy: 1.1365161816286438
Energy: 1.0234086781269447
Energy: 0.9624665625506419
Energy: 1.1825609212213892
Energy: 0.9624665625506419
Energy: 1.109823524202004
Energy: 0.9624665625506419
Energy: 1.0133261714120991
Energy: 0.9676966347436101
Energy: 1.0178985619514138
Energy: 0.9676966347436101
Energy: 1.0178985619503893
Energy: 0.9676966347436101
Energy: 1.0178985619503893
Energy: 0.9625305995440544
Energy: 1.1955890308383819
Energy: 0.9625305995430299
Energy: 1.1955890308383819
Energy: 0.9625305995440544
Energy: 1.1955890308383819
Energy: 1.1365466250162357
Energy: 1.0235405120751002
Energy: 1.1365466250162357
Energy: 1.0235405120751002
Energy: 1.1365466250152114
Energy: 1.0235405120751002
Energy: 0.9591070071939896
Energy: 1.1524732090549057
Energy: 0.9591070071929653
Energy: 1.1524732090549057
Energy: 0.9591070071970625
Energy: 1.1524732090538814
Energy: 1.136516181629668
Energy: 1.0234086781269447
Energy: 1.136516181629668
Energy: 1.0234086781269447
Energy: 1.136516181629668
Energy: 1.0234086781269447

minimum gb energy = 0.959107007191941 eV
minimum distance =  2.34473932362318 Angstroms
sigma value = 9


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

Energy: 1.1068228050009385
Energy: 0.9962174622402307
Energy: 1.1068228050001019
Energy: 0.9962174622402307
Energy: 1.1068228050001019
Energy: 0.9962174622393943
Energy: 1.003051935412699
Energy: 1.0362637724003214
Energy: 1.0030519354118625
Energy: 1.0362637724003214
Energy: 1.003051935412699
Energy: 1.0362637723994852
Energy: 1.0572727588386552
Energy: 0.9822935675665372
Energy: 1.0572727588378188
Energy: 0.9822935675673735
Energy: 1.0572727588378188
Energy: 0.9822935675665372
Energy: 0.9958261975937291
Energy: 1.080515309734354
Energy: 0.9958261975937291
Energy: 1.0805153097351903
Energy: 0.9958261975937291
Energy: 1.0805153097351903
Energy: 1.0488099705678429
Energy: 0.9849484257133004
Energy: 1.0488099705678429
Energy: 0.984948425712464
Energy: 1.0488099705670066
Energy: 0.9849484257232988
Energy: 1.0674427656531507
Energy: 0.9996534296694823
Energy: 1.0674427656531507
Energy: 0.9996534296694823
Energy: 1.0674427656531507
Energy: 0.9996534296686458
Energy: 0.9926159447609961
Energy: 1.116380802275617
Energy: 0.9926159447609961
Energy: 1.1163808022747808
Energy: 0.9926159447609961
Energy: 1.1163808022747808
Energy: 0.9897598545632464
Energy: 1.0724309312815796
Energy: 0.9897598545640829
Energy: 1.072430931282416
Energy: 0.9897598545649192
Energy: 1.072430931282416
Energy: 1.0992744959436678
Energy: 0.9888090519102233
Energy: 1.0992744959436678
Energy: 0.9888090519127326
Energy: 1.0992744959436678
Energy: 0.9888090519110597
Energy: 0.9953594760417948
Energy: 1.0706146264594076
Energy: 0.9953594760426312
Energy: 1.0706146264594076
Energy: 0.9953594760417948
Energy: 1.0706146264594076
Energy: 1.0214112668967847
Energy: 1.0314429225133672
Energy: 1.0214112668967847
Energy: 1.0314429225116946
Energy: 1.0214112668967847
Energy: 1.0314429225108583
Energy: 1.052038498043939
Energy: 0.9998708088345505
Energy: 1.052038498043939
Energy: 0.9998708088345505
Energy: 1.052038498043939
Energy: 0.9998708088337143
Energy: 0.9906800051100647
Energy: 1.06551652812052
Energy: 0.990680005110901
Energy: 1.0655165281213563
Energy: 0.990680005110901
Energy: 1.0655165281213563
Energy: 1.0728274039849266
Energy: 1.082750380302262
Energy: 1.0728274039849266
Energy: 1.0827503803014256
Energy: 1.0728274039849266
Energy: 1.082750380302262
Energy: 1.1566901106367724
Energy: 0.9977239949585137
Energy: 1.1566901105038274
Energy: 0.9977239949585137
Energy: 1.1566901100908504
Energy: 0.9977239949585137
Energy: 1.0650939916945807
Energy: 1.1031155902434273
Energy: 1.0650939916937443
Energy: 1.103115590242591
Energy: 1.065093991695417
Energy: 1.1031155902451
Energy: 1.0864174917445388
Energy: 1.0709928975768712
Energy: 1.0864174917437024
Energy: 1.0709928975768712
Energy: 1.0864174917437024
Energy: 1.0709928975777074
Energy: 1.254042134660919
Energy: 0.9998871125144952
Energy: 1.254042134660919
Energy: 0.9998871125153315
Energy: 1.2540421346600827
Energy: 0.9998871125144952
Energy: 0.9944419611027275
Energy: 1.0731483834983206
Energy: 0.9944419611027275
Energy: 1.0731483834983206
Energy: 0.9944419611027275
Energy: 1.0731483834991569
Energy: 1.0325848405845934
Energy: 1.0031604049523986
Energy: 1.0325848405854297
Energy: 1.0031604049523986
Energy: 1.0325848405854297
Energy: 1.003160404953235
Energy: 1.0466352378580255
Energy: 1.0024567525613437
Energy: 1.046635237857189
Energy: 1.002456752559671
Energy: 1.0466352378563528
Energy: 1.0024567525613437

minimum gb energy = 0.9822935675665372 eV
minimum distance =  2.3311201446114 Angstroms
sigma value = 27


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

Energy: 1.0609267496676016
Energy: 1.1163642184164486
Energy: 1.0609267496683066
Energy: 1.1163642184157438
Energy: 1.0609267496683066
Energy: 1.1163642184157438
Energy: 1.0589789836824808
Energy: 1.0544322888541275
Energy: 1.0589789836824808
Energy: 1.0544322888513076
Energy: 1.0589789836824808
Energy: 1.0544322888527176
Energy: 1.1069386610156744
Energy: 1.0570804842245771
Energy: 1.1069386610156744
Energy: 1.0570804842245771
Energy: 1.1069386610156744
Energy: 1.0570804842245771
Energy: 1.0790571682494436
Energy: 1.0938098076988632
Energy: 1.0790571682494436
Energy: 1.0938098076995681
Energy: 1.0790571682494436
Energy: 1.0938098077002731
Energy: 1.0536122025289807
Energy: 1.058460917868483
Energy: 1.053612202527571
Energy: 1.058460917867778
Energy: 1.053612202527571
Energy: 1.058460917868483
Energy: 1.1205351649497473
Energy: 1.0539407337463378
Energy: 1.1205351649490423
Energy: 1.053940733745633
Energy: 1.1205351649490423
Energy: 1.053940733747043
Energy: 1.059905107899838
Energy: 1.0439904958108022
Energy: 1.059905107899133
Energy: 1.043990495809424
Energy: 1.059905107899133
Energy: 1.043990495810129
Energy: 1.0996522826420918
Energy: 1.0973591314003495
Energy: 1.099652282641387
Energy: 1.0973591314003495
Energy: 1.0996522826420918
Energy: 1.0973591314003495
Energy: 1.0432680986239569
Energy: 1.055020523044396
Energy: 1.0432680986253668
Energy: 1.055020523046511
Energy: 1.0432680986232519
Energy: 1.055020523046511
Energy: 1.0543100559621994
Energy: 1.0427569413978632
Energy: 1.0543100559614944
Energy: 1.0427569413971582
Energy: 1.0543100559614944
Energy: 1.0427569413985682
Energy: 1.0542676895183518
Energy: 1.0430103098369923
Energy: 1.0542676895183518
Energy: 1.0430103098376973
Energy: 1.0542676895176468
Energy: 1.0430103098355823
Energy: 1.0431374740934283
Energy: 1.0551733624629032
Energy: 1.043137474092723
Energy: 1.0551733624734783
Energy: 1.043137474092018
Energy: 1.0551733624657234
Energy: 1.099720715695613
Energy: 1.0974597177485999
Energy: 1.099720715695613
Energy: 1.0974597177570278
Energy: 1.0997207156949083
Energy: 1.0974597177493048
Energy: 1.059813197374676
Energy: 1.0431911759804477
Energy: 1.059813197374676
Energy: 1.0431911759818575
Energy: 1.059813197374676
Energy: 1.0431911759804477
Energy: 1.1203246874475843
Energy: 1.054277686524678
Energy: 1.1203246874475843
Energy: 1.0542776865239727
Energy: 1.1203246874475843
Energy: 1.054277686524678
Energy: 1.0536423375823634
Energy: 1.0587182292431765
Energy: 1.0536423375823634
Energy: 1.0587182292431765
Energy: 1.0536423375830684
Energy: 1.0587182292431765
Energy: 1.0791653148276514
Energy: 1.093902772562297
Energy: 1.0791653148276514
Energy: 1.093902772562297
Energy: 1.0791653148276514
Energy: 1.0939027725615922
Energy: 1.1065686082085078
Energy: 1.0569374251431933
Energy: 1.1065686082085078
Energy: 1.0569374251431933
Energy: 1.1065686082085078
Energy: 1.0569374251424881
Energy: 1.0589425051570465
Energy: 1.053708624388293
Energy: 1.0589425051577515
Energy: 1.0537086243875877
Energy: 1.0589425051570465
Energy: 1.0537086243875877
Energy: 1.0609267496683066
Energy: 1.1163642184157438
Energy: 1.0609267496676016
Energy: 1.1163642184164486
Energy: 1.0609267496676016
Energy: 1.1163642184157438
Energy: 1.0589789836824808
Energy: 1.0544322888527176
Energy: 1.0589789836824808
Energy: 1.0544322888527176
Energy: 1.0589789836824808
Energy: 1.0544322888520126
Energy: 1.1069386610156744
Energy: 1.0570804842245771
Energy: 1.1069386610156744
Energy: 1.0570804842238721
Energy: 1.1069386610156744
Energy: 1.0570804842245771
Energy: 1.0790571682494436
Energy: 1.0938098076995681
Energy: 1.0790571682494436
Energy: 1.0938098076995681
Energy: 1.0790571682487387
Energy: 1.0938098077002731
Energy: 1.053612202528276
Energy: 1.058460917868483
Energy: 1.053612202527571
Energy: 1.058460917868483
Energy: 1.053612202528276
Energy: 1.058460917868483
Energy: 1.1205351649497473
Energy: 1.053940733745633
Energy: 1.1205351649490423
Energy: 1.0539407337463378
Energy: 1.1205351649490423
Energy: 1.0539407337463378

minimum gb energy = 1.0427569413971582 eV
minimum distance =  2.34373522850569 Angstroms
sigma value = 19


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

Energy: 1.0131782967862835
Energy: 1.0239074903183245
Energy: 1.0131782967771554
Energy: 1.0239074903195418
Energy: 1.0131782967710699
Energy: 1.0239074903225844
Energy: 1.010306482026459
Energy: 1.0223832942985485
Energy: 1.0103064820246332
Energy: 1.0223832942991573
Energy: 1.010306482026459
Energy: 1.0223832942973317
Energy: 1.0797285072926677
Energy: 1.0150695595166062
Energy: 1.0797285072932763
Energy: 1.0150695595166062
Energy: 1.0541568495871185
Energy: 1.0150695595172148
Energy: 1.0120777168106765
Energy: 0.986990109717059
Energy: 1.0120777168106765
Energy: 0.986990109717059
Energy: 1.012077716811285
Energy: 0.986990109717059
Energy: 1.0201323887575042
Energy: 1.0130818279550842
Energy: 1.020132388758721
Energy: 1.0130818279550842
Energy: 1.0201323887575042
Energy: 1.0130818279550842
Energy: 0.9954031671247521
Energy: 1.0127433931676777
Energy: 0.9954031671247521
Energy: 1.0127433931664604
Energy: 0.9954031671241435
Energy: 1.012743393168286
Energy: 1.018291963637466
Energy: 1.0224293967800375
Energy: 1.0182919636368573
Energy: 1.0224293967788205
Energy: 1.0182919636368573
Energy: 1.0224293967794291
Energy: 1.0270189340985791
Energy: 1.0362242106339796
Energy: 1.0270189340985791
Energy: 1.0362242106339796
Energy: 1.0270189340985791
Energy: 1.0362242106333714
Energy: 1.0786674824569455
Energy: 1.0175835552839028
Energy: 1.0786674824539029
Energy: 1.0175835552826855
Energy: 1.0786674824502516
Energy: 1.0175835552820773
Energy: 1.0159544539538257
Energy: 1.0107986981160813
Energy: 1.0159544539538257
Energy: 1.0107986981166899
Energy: 1.0159544539532168
Energy: 1.0107986981160813
Energy: 1.012318215773904
Energy: 1.0513497248331625
Energy: 1.0123182157732955
Energy: 1.051349724834988
Energy: 1.012318215773904
Energy: 1.0513497248343795
Energy: 1.0187988265161558
Energy: 1.0220203593426038
Energy: 1.0187988265191987
Energy: 1.0220203593426038
Energy: 1.0187988265167645
Energy: 1.0220203593347204
Energy: 0.9835126818243294
Energy: 1.0295604696891465
Energy: 0.9835126818237209
Energy: 1.0295604696891465
Energy: 0.9835126818249378
Energy: 1.0295604696891465
Energy: 1.0088273750877137
Energy: 0.9683596007018428
Energy: 1.008827375088322
Energy: 0.9683596007024513
Energy: 1.008827375088322
Energy: 0.9683596007018428
Energy: 1.0373915315299518
Energy: 1.0058687636426116
Energy: 1.0373915315299518
Energy: 1.0058687636432204
Energy: 1.0373915315293432
Energy: 1.0058687636426116
Energy: 1.0646461210918898
Energy: 1.0167447191324546
Energy: 1.0646461210912814
Energy: 1.0167447191324546
Energy: 1.0646461210918898
Energy: 1.016744719131846
Energy: 1.0305915818594777
Energy: 1.0448662872834495
Energy: 1.0305915818600864
Energy: 1.044866287282841
Energy: 1.0305915818594777
Energy: 1.044866287282841
Energy: 1.0416398519078578
Energy: 1.0235575068018044
Energy: 1.041639851907249
Energy: 1.023557506798153
Energy: 1.0416398519078578
Energy: 1.023557506798153
Energy: 0.9860170005614909
Energy: 1.0136110077309979
Energy: 0.9860170005620995
Energy: 1.0136110077303895
Energy: 1.0683808110660364
Energy: 1.0136110077297809
Energy: 1.0147154862035408
Energy: 1.009128044928093
Energy: 1.0147154862035408
Energy: 1.0091280449299187
Energy: 1.014715486202932
Energy: 1.009128044928093
Energy: 1.0220979894410618
Energy: 1.035554822785179
Energy: 1.0220979894404811
Energy: 1.035554822785179
Energy: 1.0220979894410618
Energy: 1.035554822785179
Energy: 1.0667711358835357
Energy: 1.0103856284019406
Energy: 1.0667602225178687
Energy: 1.010385628401332
Energy: 1.0667216238711081
Energy: 1.010385628401332
Energy: 1.0214557804708024
Energy: 0.9997212337808301
Energy: 1.0214557804714108
Energy: 0.9997212337808301
Energy: 1.0214557804720192
Energy: 0.9997212337808301
Energy: 1.0225086006689679
Energy: 1.0132894617727202
Energy: 1.0225086006683592
Energy: 1.0132894617721118
Energy: 1.0225086006665334
Energy: 1.0132894617727202
Energy: 1.0049981246387218
Energy: 1.0109320612532005
Energy: 1.0049981246381132
Energy: 1.0109320612525918
Energy: 1.0049981246381132
Energy: 1.0109320612532005
Energy: 1.005470514120724
Energy: 1.0220427989298755
Energy: 1.0054705141213325
Energy: 1.0220427989292669
Energy: 1.005470514120724
Energy: 1.0220427989298755
Energy: 1.0204447243634613
Energy: 1.005147221546689
Energy: 1.0204447243634613
Energy: 1.005147221544255
Energy: 1.0204447243634613
Energy: 1.005147221544255
Energy: 0.978456986252616
Energy: 1.0120579538030716
Energy: 0.9784569862520075
Energy: 1.0120579538048973
Energy: 0.9784569862507905
Energy: 1.0120579538048973
Energy: 1.0337204236097168
Energy: 1.0138271405967592
Energy: 1.0337204236078912
Energy: 1.0138271405967592
Energy: 1.0337204236078912
Energy: 1.0138271405967592

minimum gb energy = 0.9683596007018428 eV
minimum distance =  2.31016379734929 Angstroms
sigma value = 101


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

Energy: 1.0192351974160716
Energy: 0.9395164550457418
Energy: 1.0192351974166067
Energy: 0.9395164550462766
Energy: 1.0192351974155367
Energy: 0.9395164550462766
Energy: 0.9921784839537829
Energy: 0.994337962096287
Energy: 0.9921784839505733
Energy: 1.0005062537203415
Energy: 0.9921784839559229
Energy: 0.9943379620957521
Energy: 0.9667211209116251
Energy: 1.000738003071786
Energy: 0.96672112091216
Energy: 1.0007380030707163
Energy: 0.9667211209132298
Energy: 1.0007380030792268
Energy: 0.9902605437067616
Energy: 1.067459357804476
Energy: 0.9902605437067616
Energy: 1.1489261819882934
Energy: 0.9902605437067616
Energy: 0.9933010142087519
Energy: 0.9940235753206622
Energy: 0.9692029149953438
Energy: 0.9940235753217321
Energy: 0.9692029149953438
Energy: 0.9940235753201274
Energy: 0.9692029149958789
Energy: 0.926984999893272
Energy: 0.9976982446786872
Energy: 0.926984999893272
Energy: 0.9976982446781524
Energy: 0.926984999893807
Energy: 0.9976982446786872
Energy: 0.9946176265013958
Energy: 1.0005878564080268
Energy: 0.9946176265008608
Energy: 1.000587856407492
Energy: 0.9946176265013958
Energy: 1.000587856407492
Energy: 0.9958220889518146
Energy: 1.0836569412859298
Energy: 0.9958220889528845
Energy: 1.0049075352360628
Energy: 0.9958220889518146
Energy: 1.004907535234458
Energy: 0.9284110786344999
Energy: 0.9958391705148784
Energy: 0.9284110786355697
Energy: 0.9958391705148784
Energy: 0.9284110786355697
Energy: 0.9958391705154132
Energy: 0.9934188303647318
Energy: 1.0089794359000892
Energy: 0.9934188303647318
Energy: 1.0089794359000892
Energy: 0.9934188303652667
Energy: 1.0089794358990196
Energy: 0.9944976693288853
Energy: 1.1698318786237596
Energy: 0.9944976693278154
Energy: 1.1698318786242945
Energy: 0.9944976693283505
Energy: 1.1698318786237596
Energy: 0.9863851894350468
Energy: 1.000556725899307
Energy: 0.9863851894361167
Energy: 1.0001288337412768
Energy: 0.9863851894345604
Energy: 0.9962739530907005
Energy: 0.9176860187132317
Energy: 0.9984050065203752
Energy: 0.9176860187132317
Energy: 0.9984050065193054
Energy: 0.9176860187126967
Energy: 0.9984050065187703
Energy: 0.9925671773969815
Energy: 1.026885783676034
Energy: 0.9925671773969815
Energy: 1.0813959704387954
Energy: 0.9925671773975164
Energy: 1.0107054647661096
Energy: 0.9903598493199666
Energy: 0.9656668262171366
Energy: 0.9903598493199666
Energy: 0.9656668262171366
Energy: 0.9903598493194318
Energy: 0.9656668262160667
Energy: 0.9863574195219474
Energy: 0.9981928521509886
Energy: 0.9863574195219474
Energy: 0.9981928521509886
Energy: 0.9863574195203426
Energy: 0.9981928521531285
Energy: 0.9906820066008494
Energy: 1.0091530997949156
Energy: 0.9906820065998282
Energy: 1.0091530997954508
Energy: 0.9906820065998282
Energy: 1.0091530997954508
Energy: 0.9955736575808474
Energy: 0.9153176694195124
Energy: 0.9955736575819173
Energy: 0.9153176694227219
Energy: 0.9955736575808474
Energy: 0.9153176694195124
Energy: 0.9260801551887872
Energy: 0.9960868741402901
Energy: 0.9260801551866473
Energy: 0.9960868741402901
Energy: 0.9260801551866473
Energy: 0.9960868741402901
Energy: 1.0006154790239827
Energy: 0.9494438007274822
Energy: 1.0006154790239827
Energy: 0.9494438007237376
Energy: 1.0006154790234478
Energy: 0.9494438007221329
Energy: 1.0047781937349185
Energy: 1.1016368301818624
Energy: 1.0047781937343836
Energy: 1.1016368301823973
Energy: 1.0047781937343836
Energy: 1.1016368301829325
Energy: 0.9643906707415981
Energy: 0.9938372591112766
Energy: 0.9643906707405283
Energy: 0.9938372591118116
Energy: 0.9643906707405283
Energy: 0.9938372591123465
Energy: 0.9920550791508542
Energy: 0.9979638467464428
Energy: 0.992055079151924
Energy: 0.9979638467464428
Energy: 0.992055079152994
Energy: 0.9979638467464428
Energy: 0.990682937231259
Energy: 1.1485512493114665
Energy: 0.990682937231794
Energy: 1.1485512493125365
Energy: 0.990682937231794
Energy: 1.1485512493130714
Energy: 1.0038185412415506
Energy: 1.0058519486641624
Energy: 1.0038185412394107
Energy: 1.0058519486641624
Energy: 1.0038185412410157
Energy: 1.0058519486620225
Energy: 0.9183538457982633
Energy: 1.0105820500410347
Energy: 0.9183538457998681
Energy: 1.0105820500415696
Energy: 0.9183538457998681
Energy: 1.0105820500415696
Energy: 0.9955862482483334
Energy: 1.0045257431733174
Energy: 0.9955862482467285
Energy: 1.0045257431733174
Energy: 0.9955862482477983
Energy: 1.0045257431733174
Energy: 0.9965428837634375
Energy: 0.9681106610827898
Energy: 0.9965428837634375
Energy: 0.9681106610827898
Energy: 0.9965428837639724
Energy: 0.9681106610827898
Energy: 1.1313344810594872
Energy: 0.9960522427239141
Energy: 1.1313344810589523
Energy: 0.9960522427239141
Energy: 1.1313344810594872
Energy: 0.9960522427239141
Energy: 0.9949302295697444
Energy: 0.9672138424966568
Energy: 0.9949302295686746
Energy: 0.9672138424945168
Energy: 0.9949302295681396
Energy: 0.9672138424961216
Energy: 0.9910718741451434
Energy: 0.949372214620698
Energy: 0.9910718741462132
Energy: 0.949372214620698
Energy: 0.9910718741456785
Energy: 0.9493722146223029
Energy: 0.9885152526168659
Energy: 0.9945245497327397
Energy: 0.9885152526147261
Energy: 0.9945245497306
Energy: 0.988515252615796
Energy: 0.994524549739694
Energy: 0.9915642753668938
Energy: 0.9961017012671156
Energy: 0.9915642753684987
Energy: 0.9961017012665805
Energy: 0.9915642753684987
Energy: 0.9961017012671156

minimum gb energy = 0.9153176694195124 eV
minimum distance =  2.32630471545027 Angstroms
sigma value = 33


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

Energy: 0.01859245970150637
Energy: 0.7432705379802973
Energy: 0.01859245970150637
Energy: 0.7432705379807417
Energy: 0.01859245970150637
Energy: 0.7432705379802973
Energy: 0.019035699699967185
Energy: -0.5190485490798454
Energy: 0.01903569970041165
Energy: -0.5190485490802899
Energy: 0.019035699699967185
Energy: -0.519048549080685
Energy: 0.7432330370547092
Energy: -0.5189319687753643
Energy: 0.7432612976071684
Energy: -0.5189319687744753
Energy: 0.7432250820347379
Energy: -0.5189319687744753
Energy: 0.019035699700856116
Energy: -0.5190485490798454
Energy: 0.019035699700856116
Energy: -0.5190485490802899
Energy: 0.019035699700856116
Energy: -0.5190485490802899

minimum gb energy = -0.519048549080685 eV
minimum distance =  2.46812762523428 Angstroms
sigma value = 1