Model name: model_name=Tersoff_LAMMPS_MuellerErhartAlbe_2007_Fe__MO_137964310702_004
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=3.6111526265740403
cohesive_energy=4.249969113925499
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: 0.016477809137171222
Energy: 1.6405102776328042
Energy: 0.016477809137171222
Energy: 1.64051027763249
Energy: 0.016477809137171222
Energy: 1.64051027763249
Energy: 1.64051027763249
Energy: 1.422181444379709
Energy: 1.64051027763249
Energy: 1.4221814443763219
Energy: 1.6405102776330835
Energy: 1.4221814443769503
Energy: 0.016477809137171222
Energy: 1.6405102776328042
Energy: 0.016477809137171222
Energy: 1.6405102776328042
Energy: 0.016477809137171222
Energy: 1.64051027763249
Energy: 1.6405102776328042
Energy: 1.4221814443800234
Energy: 1.64051027763249
Energy: 1.4221814443772645
Energy: 1.6405102776330835
Energy: 1.4221814443772645
Energy: 0.016477809137171222
Energy: 1.64051027763249
Energy: 0.016477809137171222
Energy: 1.6405102776328042
Energy: 0.016477809137171222
Energy: 1.6405102776328042
Energy: 1.6405102776328042
Energy: 1.4221814443790803
Energy: 1.64051027763249
Energy: 1.4221814443769503
Energy: 1.6405102776328042
Energy: 1.4221814443772645

minimum gb energy = 0.016477809137171222 eV
minimum distance =  2.4716309459765 Angstroms
sigma value = 1


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

Energy: 1.5883181537682072
Energy: 1.5844128221188787
Energy: 1.5883181537682072
Energy: 1.5844128221166092
Energy: 1.5883181537674507
Energy: 1.5844128221166092
Energy: 1.8814044305622246
Energy: 1.315754019391607
Energy: 1.8814044305637374
Energy: 1.315754019391607
Energy: 1.8814044305622246
Energy: 1.3157540193923636
Energy: 1.5188368693897976
Energy: 1.5112753613737715
Energy: 1.5188368693890408
Energy: 1.511275361368476
Energy: 1.5188368693882845
Energy: 1.5112753613737715
Energy: 1.8007928529432753
Energy: 1.4513518739571503
Energy: 1.8007928529440316
Energy: 1.4513518739556373
Energy: 1.8007928529440316
Energy: 1.451351873957907
Energy: 1.576466901627797
Energy: 1.7013335681159958
Energy: 1.5764669016270405
Energy: 1.7013335681159958
Energy: 1.5764669016270405
Energy: 1.7013335681159958
Energy: 1.5101957777994652
Energy: 1.4771533763925992
Energy: 1.5101957777994652
Energy: 1.4771533763925992
Energy: 1.5101957777979524
Energy: 1.4771533763925992
Energy: 1.4510192730388112
Energy: 1.551821796043562
Energy: 1.4510192730380547
Energy: 1.5518217960276754
Energy: 1.4510192730388112
Energy: 1.551821796029945
Energy: 1.5103574545692087
Energy: 1.796192534024521
Energy: 1.5103574545692087
Energy: 1.7961925340237648
Energy: 1.5103574545692087
Energy: 1.796192534024521
Energy: 1.6764230434125404
Energy: 1.525963880364544
Energy: 1.676423043411784
Energy: 1.5259638803660567
Energy: 1.6764230434125404
Energy: 1.5259638803653002
Energy: 1.3181667928137362
Energy: 1.7025740699443768
Energy: 1.3181667928137362
Energy: 1.7025740699451333
Energy: 1.3181667928137362
Energy: 1.7025740699428638
Energy: 1.8199892385949668
Energy: 1.341858222692921
Energy: 1.8199892385949668
Energy: 1.3418582226936777
Energy: 1.819989238593454
Energy: 1.3418582226936777
Energy: 1.3442230778203161
Energy: 2.0293676259225686
Energy: 1.3442230778203161
Energy: 2.0293676259218123
Energy: 1.3442230778210726
Energy: 2.0293676259225686
Energy: 1.7040961449405552
Energy: 1.3152190817187384
Energy: 1.704096144941312
Energy: 1.3152190817194949
Energy: 1.7040961449397987
Energy: 1.3152190817194949
Energy: 1.3571548128837292
Energy: 1.365718394947301
Energy: 1.3571548128837292
Energy: 1.365718394947301
Energy: 1.3571548128844857
Energy: 1.365718394947301
Energy: 1.8188184882517098
Energy: 1.376406659433149
Energy: 1.8188184882510219
Energy: 1.376406659433149
Energy: 1.8188184882517098
Energy: 1.376406659433149
Energy: 1.738382573879575
Energy: 1.7231328667138859
Energy: 1.7383825738780618
Energy: 1.723132866715399
Energy: 1.7383825738773055
Energy: 1.7231328667146424
Energy: 1.6446135099731714
Energy: 1.4795707673726648
Energy: 1.6446135099731714
Energy: 1.4795707673726648
Energy: 1.6446135099731714
Energy: 1.4795707673726648
Energy: 1.6499886053380441
Energy: 1.5091293684730782
Energy: 1.6499886053380441
Energy: 1.5091293684730782
Energy: 1.6499886053372876
Energy: 1.5091293684715652
Energy: 1.3131801843626707
Energy: 1.495956201121205
Energy: 1.3131801843611577
Energy: 1.4959562011219616
Energy: 1.3131801843619144
Energy: 1.4959562011219616
Energy: 1.6384807735848461
Energy: 1.4739772394161277
Energy: 1.638480773587872
Energy: 1.4739772394176405
Energy: 1.6384807735825764
Energy: 1.4739772394153712
Energy: 1.3224658548031534
Energy: 2.01974986986213
Energy: 1.3224658548054227
Energy: 2.01974986986213
Energy: 1.3224658548039099
Energy: 2.01974986986213
Energy: 1.5861246936850681
Energy: 1.4807522975346972
Energy: 1.5861246936858249
Energy: 1.4807522975354537
Energy: 1.5861246936888507
Energy: 1.4807522975354537
Energy: 1.1496106645289816
Energy: 1.982077667990024
Energy: 1.1496106645289816
Energy: 1.9820776679892675
Energy: 1.1496106645297381
Energy: 1.9820776679892675

minimum gb energy = 1.1496106645289816 eV
minimum distance =  2.39582630286756 Angstroms
sigma value = 33


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

Energy: 1.5400654621394123
Energy: 1.6368320817846338
Energy: 1.5400654621394123
Energy: 1.6368320817854944
Energy: 1.5400654621398429
Energy: 1.6368320817842037
Energy: 1.665820761010517
Energy: 1.6025350582855051
Energy: 1.6658207610083653
Energy: 1.6025350582855051
Energy: 1.6658207610109474
Energy: 1.6025350582855051
Energy: 1.3739604206337537
Energy: 1.5552353553564513
Energy: 1.373960420634184
Energy: 1.555235355356021
Energy: 1.3739604206350446
Energy: 1.5552353553568818
Energy: 1.6524021028801543
Energy: 1.4858040586321888
Energy: 1.6524021028797238
Energy: 1.4858040586308978
Energy: 1.6524021028797238
Energy: 1.4858040586334798
Energy: 1.5809194977862422
Energy: 1.583051614872234
Energy: 1.5809194977866723
Energy: 1.5830516148713734
Energy: 1.5809194977862422
Energy: 1.5830516148730946
Energy: 1.5668256406924674
Energy: 1.3757391780777672
Energy: 1.5668256406928975
Energy: 1.3757391780773371
Energy: 1.5668256406933279
Energy: 1.375739178080349
Energy: 1.5514985748142196
Energy: 1.7055177743882781
Energy: 1.5514985748073349
Energy: 1.7055177743887084
Energy: 1.5514985748107772
Energy: 1.7055177743882781
Energy: 1.274782625673572
Energy: 1.8073108473670516
Energy: 1.2747826256744326
Energy: 1.8073108473674817
Energy: 1.2747826256744326
Energy: 1.8073108473679123
Energy: 1.3863348071273958
Energy: 1.4959051857028631
Energy: 1.3863348071252444
Energy: 1.4959051857024326
Energy: 1.3863348071261052
Energy: 1.4959051857024326
Energy: 1.2160903652093025
Energy: 1.6193772870229564
Energy: 1.2160903652093025
Energy: 1.6193772870337138
Energy: 1.2160903652097328
Energy: 1.619377287016932
Energy: 1.853115477430835
Energy: 1.1383639015616238
Energy: 1.8531154774286835
Energy: 1.1383639015616238
Energy: 1.8531154774334169
Energy: 1.1383639015611937
Energy: 1.4868295397467834
Energy: 1.4144105036349477
Energy: 1.4868295397463531
Energy: 1.4144105036349477
Energy: 1.4868295397467834
Energy: 1.4144105036302144
Energy: 1.7056867293419855
Energy: 1.3444738897155655
Energy: 1.7056867293428462
Energy: 1.3444738897142747
Energy: 1.7056867293402644
Energy: 1.3444738897138442
Energy: 1.432822868818138
Energy: 1.630691825863114
Energy: 1.4328228688207196
Energy: 1.630691825861393
Energy: 1.4328228688189988
Energy: 1.630691825861393
Energy: 1.696478281162808
Energy: 1.594340490512629
Energy: 1.6964782811636683
Energy: 1.594340490512629
Energy: 1.6964782811632382
Energy: 1.594340490512629
Energy: 1.3919397084524066
Energy: 1.5595113544803145
Energy: 1.3919397084541278
Energy: 1.5595113544803145
Energy: 1.391939708454558
Energy: 1.5595113544807446
Energy: 1.4853856115570259
Energy: 1.4962931716617325
Energy: 1.4853856115596078
Energy: 1.4962931716630234
Energy: 1.485385611552723
Energy: 1.4962931716630234
Energy: 1.576416372601185
Energy: 1.4865279858615257
Energy: 1.576416372600755
Energy: 1.4865279858610954
Energy: 1.5764163726016156
Energy: 1.4865279858615257
Energy: 1.552505522293413
Energy: 1.5508126292606879
Energy: 1.5525055222912614
Energy: 1.5508126292637
Energy: 1.5525055222925526
Energy: 1.5508126292654212
Energy: 1.629904533879593
Energy: 1.436455144096882
Energy: 1.6299045338791627
Energy: 1.436455144096882
Energy: 1.6299045338791627
Energy: 1.4364551440960214
Energy: 1.2733236592027897
Energy: 1.7649962911964738
Energy: 1.273323659201929
Energy: 1.7649962911964738
Energy: 1.2733236592023593
Energy: 1.7649962911960435
Energy: 1.869468800345864
Energy: 1.4366037392664477
Energy: 1.8694688003462945
Energy: 1.436603739265587
Energy: 1.8694688003454338
Energy: 1.4366037392660176
Energy: 1.14924230122546
Energy: 1.617159945945082
Energy: 1.14924230122546
Energy: 1.6171599459455126
Energy: 1.1492423012258903
Energy: 1.6171599459442216
Energy: 1.5757060308107105
Energy: 1.5412195442478551
Energy: 1.5757060307934987
Energy: 1.5412195442465642
Energy: 1.5757060308128619
Energy: 1.5412195442465642
Energy: 1.3748297300267973
Energy: 1.580293567097435
Energy: 1.3748297300229246
Energy: 1.5802935670965745
Energy: 1.3748297300272279
Energy: 1.5802935670965745
Energy: 1.8110341010053579
Energy: 1.5673185053347263
Energy: 1.8110341010062185
Energy: 1.5673185053347263
Energy: 1.8110341010062185
Energy: 1.567318505335587
Energy: 1.802310115846435
Energy: 1.5707083280385916
Energy: 1.802310115846435
Energy: 1.570708328040313
Energy: 1.8023101158460046
Energy: 1.5707083280394523
Energy: 1.4833487090001627
Energy: 1.5083370353528218
Energy: 1.4833487089993018
Energy: 1.5083370353579857
Energy: 1.4833487089997324
Energy: 1.508337035357125
Energy: 1.6250190348726523
Energy: 1.4987491640164616
Energy: 1.625019034872222
Energy: 1.4987491640173223
Energy: 1.6250190348713616
Energy: 1.4987491640177524
Energy: 1.1175106623029523
Energy: 1.8913818001591682
Energy: 1.1175106623029523
Energy: 1.891381800158738
Energy: 1.1175106623033826
Energy: 1.8913818001591682
Energy: 2.006229787866678
Energy: 1.495877423733976
Energy: 2.0062297878671083
Energy: 1.495877423735267
Energy: 2.006229787866678
Energy: 1.4958774237344066
Energy: 1.3582798449683193
Energy: 1.7063921428269442
Energy: 1.3582798449687494
Energy: 1.7063921428282351
Energy: 1.3582798449674587
Energy: 1.7063921428278048
Energy: 1.6291211301111277
Energy: 1.4363463924221949
Energy: 1.6291211301123791
Energy: 1.4363463924221949
Energy: 1.629121130111558
Energy: 1.4363463924221949
Energy: 1.5910875273489375
Energy: 1.6553900862923543
Energy: 1.591087527348077
Energy: 1.655390086293215
Energy: 1.5910875273485074
Energy: 1.655390086293215
Energy: 1.5033254328144614
Energy: 1.372702071604156
Energy: 1.5033254328170431
Energy: 1.372702071602865
Energy: 1.5033254328174734
Energy: 1.3727020716032954
Energy: 1.4889688803365229
Energy: 1.6551042979146782
Energy: 1.4889688803360925
Energy: 1.6551042979146782
Energy: 1.4889688803360925
Energy: 1.6551042979146782
Energy: 1.496563642127499
Energy: 1.5856899791681989
Energy: 1.496563642127499
Energy: 1.5856899791681989
Energy: 1.496563642127069
Energy: 1.585689979168629
Energy: 1.4251460288547464
Energy: 1.5535337627818058
Energy: 1.425146028852595
Energy: 1.5535337627809451
Energy: 1.4251460288530253
Energy: 1.5535337627813754
Energy: 1.4328556642861645
Energy: 1.6303477030224962
Energy: 1.4328556642865948
Energy: 1.6303477030229268
Energy: 1.4328556642865948
Energy: 1.6303477030224962
Energy: 1.7939024018069896
Energy: 1.2749323567136337
Energy: 1.7939024018087109
Energy: 1.274932356714064
Energy: 1.7939024018082803
Energy: 1.2749323567136337
Energy: 1.486266102764653
Energy: 1.386822718069003
Energy: 1.4862661027633624
Energy: 1.3868227180702937
Energy: 1.4862661027642228
Energy: 1.3868227180698636

minimum gb energy = 1.1175106623029523 eV
minimum distance =  2.3916133563007 Angstroms
sigma value = 51


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

Energy: 1.5618739067521743
Energy: 1.6775792713979119
Energy: 1.5618739067521743
Energy: 1.6775792713979119
Energy: 1.5618739067521743
Energy: 1.6775792713979119
Energy: 1.722280934697717
Energy: 1.3928594441870037
Energy: 1.7222809346987138
Energy: 1.3928594441870037
Energy: 1.722280934697717
Energy: 1.3928594441860067
Energy: 1.4995635804547673
Energy: 2.0653137529244714
Energy: 1.4995635804547673
Energy: 2.0653137529244714
Energy: 1.4995635804547673
Energy: 2.0653137529254684
Energy: 1.5004055851399625
Energy: 1.273824734274138
Energy: 1.5004055851409595
Energy: 1.273824734273141
Energy: 1.5004055851399625
Energy: 1.273824734273141
Energy: 1.4829764066767421
Energy: 1.529322966589688
Energy: 1.482976406675745
Energy: 1.5293229665906851
Energy: 1.4829764066777391
Energy: 1.529322966588691
Energy: 1.8455807498812058
Energy: 1.5292619615716734
Energy: 1.8455807498822028
Energy: 1.5292619615716734
Energy: 1.8455807498822028
Energy: 1.5292619615716734
Energy: 1.7065341356367651
Energy: 1.470044209842965
Energy: 1.7065341356367651
Energy: 1.470044209845956
Energy: 1.7065341356377621
Energy: 1.4700442098439621
Energy: 1.3790252399153573
Energy: 1.5721247223980537
Energy: 1.3790252399153573
Energy: 1.5721247223980537
Energy: 1.3790252399153573
Energy: 1.572124722397057
Energy: 1.8585918836701543
Energy: 1.2741481555706597
Energy: 1.8585918836701543
Energy: 1.2741481555716567
Energy: 1.8585918836691573
Energy: 1.2741481555706597
Energy: 1.512959547190073
Energy: 1.9632530923087148
Energy: 1.512959547189076
Energy: 1.963253092307718
Energy: 1.512959547189076
Energy: 1.9632530923087148
Energy: 1.827203754039112
Energy: 1.2991816911735259
Energy: 1.827203754039112
Energy: 1.2991816911735259
Energy: 1.8272037540381152
Energy: 1.2991816911745229
Energy: 1.4997563840225299
Energy: 1.6803020724033821
Energy: 1.4997563840225299
Energy: 1.6803020724033821
Energy: 1.4997563840235266
Energy: 1.6803020724043793
Energy: 1.8825605495051247
Energy: 1.4049218937513572
Energy: 1.8825605495041275
Energy: 1.4049218937513572
Energy: 1.8825605495041275
Energy: 1.4049218937513572
Energy: 1.4493041109819311
Energy: 1.4503438959970432
Energy: 1.4493041109819311
Energy: 1.4503438959950492
Energy: 1.4493041109809797
Energy: 1.4503438959970432
Energy: 1.6114742781590814
Energy: 1.5121956154776368
Energy: 1.6114742781590814
Energy: 1.5121956154776368
Energy: 1.6114742781590814
Energy: 1.5121956154776368
Energy: 1.4266356140823302
Energy: 1.5291499260481738
Energy: 1.4266356140773453
Energy: 1.5291499260491708
Energy: 1.4266356140783423
Energy: 1.5291499260491708
Energy: 1.568806405062299
Energy: 1.7167927179704943
Energy: 1.568806405059308
Energy: 1.7167927179714912
Energy: 1.568806405060305
Energy: 1.7167927179724884
Energy: 1.6394819549153101
Energy: 1.4715658111105325
Energy: 1.6394819549153101
Energy: 1.4715658111115295
Energy: 1.6394819549153101
Energy: 1.4715658111115295

minimum gb energy = 1.273824734273141 eV
minimum distance =  2.32951731283924 Angstroms
sigma value = 19


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

Energy: 1.729937209379856
Energy: 1.1450217182885933
Energy: 1.6275858869054236
Energy: 1.1450217182868192
Energy: 1.729937209379856
Energy: 1.1450217182885933
Energy: 1.5180578351599825
Energy: 1.5946309423865066
Energy: 1.5180578351617566
Energy: 1.5946309423865066
Energy: 1.5180578351629395
Energy: 1.5946309423859153
Energy: 1.1012809357772329
Energy: 1.6754562947045937
Energy: 1.1012809357772329
Energy: 1.6754562947051852
Energy: 1.1012809357772329
Energy: 1.6754562947045937
Energy: 1.6011864202147006
Energy: 1.0815701357326208
Energy: 1.601186420215292
Energy: 1.0815701357326208
Energy: 1.6011864202147006
Energy: 1.0815701357326208
Energy: 1.4015509727382862
Energy: 1.461892049293515
Energy: 1.4015509727382862
Energy: 1.4618920492923322
Energy: 1.401550972737695
Energy: 1.4618920492923322
Energy: 1.2506971896872718
Energy: 1.4622901716895338
Energy: 1.250697189686089
Energy: 1.462290171690125
Energy: 1.250697189685498
Energy: 1.4622901716895338
Energy: 1.4591877152738977
Energy: 1.0816671165927039
Energy: 1.4591877152733062
Energy: 1.081667116591521
Energy: 1.4591877152738977
Energy: 1.0816671165927039
Energy: 1.1012463985666887
Energy: 1.7820090113328397
Energy: 1.1012443377097045
Energy: 1.7820090113346139
Energy: 1.1012463985666887
Energy: 1.7820090113328397
Energy: 1.6888585943408225
Energy: 1.6619334300503257
Energy: 1.6888585943425967
Energy: 1.6619334300509172
Energy: 1.6888585943420054
Energy: 1.6619334300515085
Energy: 1.627585886904832
Energy: 1.1450217182874107
Energy: 1.6275858869042408
Energy: 1.1450217182891849
Energy: 1.6275858869042408
Energy: 1.1450217182885933
Energy: 1.5180578351599825
Energy: 1.5946309423847322
Energy: 1.518057835161165
Energy: 1.5946309423853238
Energy: 1.5180578351605736
Energy: 1.5946309423847322
Energy: 1.1012809357778244
Energy: 1.6754562947051852
Energy: 1.1012809357778244
Energy: 1.6754562947045937
Energy: 1.1012809357784155
Energy: 1.6754562947045937
Energy: 1.601186420215292
Energy: 1.0815789042378965
Energy: 1.6011864202158832
Energy: 1.0815789042378965
Energy: 1.6011864202147006
Energy: 1.0815789042373052
Energy: 1.4015509727388777
Energy: 1.4618920492917407
Energy: 1.401550972737695
Energy: 1.4618920492929237
Energy: 1.4015509727382862
Energy: 1.461892049293515
Energy: 1.250697189686089
Energy: 1.462290171690125
Energy: 1.2506971896866805
Energy: 1.4622901716895338
Energy: 1.250697189685498
Energy: 1.462290171690125
Energy: 1.459187715274489
Energy: 1.0816671165927039
Energy: 1.4591877152738977
Energy: 1.0816671165927039
Energy: 1.459187715274489
Energy: 1.0816671165927039
Energy: 1.1014001650263368
Energy: 1.7820090113322484
Energy: 1.1013248800682713
Energy: 1.7820090113340223
Energy: 1.1014001650257454
Energy: 1.7820090113346139
Energy: 1.5815694498931725
Energy: 1.6619334300521
Energy: 1.6888585943420054
Energy: 1.6619334300509172
Energy: 1.5815694498961292
Energy: 1.6619334300521
Energy: 1.729937209379856
Energy: 1.1450217182874107
Energy: 1.6275858869042408
Energy: 1.1450217182874107
Energy: 1.7299372093792647
Energy: 1.1450217182885933
Energy: 1.5180578351617566
Energy: 1.5946309423865066
Energy: 1.5180578351617566
Energy: 1.594630942387689
Energy: 1.518057835162348
Energy: 1.5946309423847322
Energy: 1.1012809357778244
Energy: 1.6754562947040026
Energy: 1.1012809357778244
Energy: 1.6754562947045937
Energy: 1.1012809357778244
Energy: 1.6754562947051852
Energy: 1.6011864202147006
Energy: 1.0815701357326208
Energy: 1.601186420215292
Energy: 1.0815701357326208
Energy: 1.6011864202147006
Energy: 1.0815701357326208
Energy: 1.4015509727382862
Energy: 1.4618920492923322
Energy: 1.4015509727382862
Energy: 1.4618920492923322
Energy: 1.4015509727382862
Energy: 1.4618920492911496
Energy: 1.250697189686089
Energy: 1.4622901716907166
Energy: 1.2506971896866805
Energy: 1.4622901716907166
Energy: 1.250697189686089
Energy: 1.462290171690125
Energy: 1.4591877152738977
Energy: 1.0816671165927039
Energy: 1.4591877152733062
Energy: 1.0816671165927039
Energy: 1.4591877152733062
Energy: 1.0816671165927039
Energy: 1.1012463985666887
Energy: 1.7820090113334313
Energy: 1.101244337709113
Energy: 1.7820090113328397
Energy: 1.1012463985660974
Energy: 1.7820090113340223
Energy: 1.6888585943425967
Energy: 1.6619334300521
Energy: 1.6888585943420054
Energy: 1.6619334300532826
Energy: 1.6888585943425967
Energy: 1.6619334300515085
Energy: 1.6275858869042408
Energy: 1.1450217182880018
Energy: 1.6275858869036497
Energy: 1.1450217182874107
Energy: 1.627585886904832
Energy: 1.1450217182880018
Energy: 1.518057835162348
Energy: 1.5946309423865066
Energy: 1.5180578351617566
Energy: 1.5946309423859153
Energy: 1.518057835161165
Energy: 1.5946309423865066
Energy: 1.1012809357772329
Energy: 1.6754562947040026
Energy: 1.1012809357766413
Energy: 1.6754562947051852
Energy: 1.1012809357778244
Energy: 1.6754562947045937

minimum gb energy = 1.0815701357326208 eV
minimum distance =  2.30772161208837 Angstroms
sigma value = 27


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

Energy: 1.3923693917516495
Energy: 1.3765252182929155
Energy: 1.3923693917516495
Energy: 1.3765252182929155
Energy: 1.392369391750201
Energy: 1.3765252182929155
Energy: 1.5617012601246287
Energy: 1.2702015836385534
Energy: 1.5617012601246287
Energy: 1.2702015836414504
Energy: 1.5617012601231801
Energy: 1.270201583640002
Energy: 1.0927442896641546
Energy: 1.41131969872246
Energy: 1.0927442896656032
Energy: 1.4113196996013606
Energy: 1.0927442896656032
Energy: 1.4113196989845564
Energy: 1.5387487625846266
Energy: 1.2797340967360336
Energy: 1.5387487625846266
Energy: 1.279734096734585
Energy: 1.5387487625846266
Energy: 1.279734096734585
Energy: 1.6883498719131207
Energy: 1.1896710258989251
Energy: 1.688349871911672
Energy: 1.1896710258989251
Energy: 1.688349871911672
Energy: 1.1896710258974765
Energy: 1.363508454259293
Energy: 1.8284198302718127
Energy: 1.3635084542607416
Energy: 1.8284198302718127
Energy: 1.3635084542607416
Energy: 1.8284198302718127
Energy: 1.3072872414014178
Energy: 1.4124598484151665
Energy: 1.3072872414014178
Energy: 1.4124598484151665
Energy: 1.3072872414014178
Energy: 1.412459848416615
Energy: 1.3911472534060043
Energy: 1.3809813272569558
Energy: 1.3911472534045557
Energy: 1.3809813272569558
Energy: 1.3911472534045557
Energy: 1.3809813272569558
Energy: 1.6842265678480866
Energy: 1.2689568770448658
Energy: 1.6842265678480866
Energy: 1.2689568770477633
Energy: 1.684226567846638
Energy: 1.2689568770463147
Energy: 1.4061431833629985
Energy: 1.4527408437425724
Energy: 1.406143183364447
Energy: 1.4527408437425724
Energy: 1.4061431833629985
Energy: 1.4527408437425724
Energy: 1.3556900339657152
Energy: 1.3637101670372436
Energy: 1.3556900339657152
Energy: 1.3637101670372436
Energy: 1.3012610866145708
Energy: 1.3637101670372436
Energy: 1.7055761098620459
Energy: 1.3995502847142562
Energy: 1.7055761098620459
Energy: 1.3995502847128076
Energy: 1.7055761098620459
Energy: 1.3995502847157049

minimum gb energy = 1.0927442896641546 eV
minimum distance =  2.31418180832525 Angstroms
sigma value = 9


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

Energy: 1.5465603841734583
Energy: 1.1824752105093967
Energy: 1.546560384173051
Energy: 1.1824752105098038
Energy: 1.5465603841734583
Energy: 1.1824752105089897
Energy: 1.6399054580775918
Energy: 1.2095820908624002
Energy: 1.6399054580584618
Energy: 1.205710485058471
Energy: 1.6399054580552057
Energy: 1.333754624284095
Energy: 1.1291284329920608
Energy: 1.6071648854675913
Energy: 1.1291284329969449
Energy: 1.6071648854655562
Energy: 1.1291284329961309
Energy: 1.6071648854655562
Energy: 1.1787436969592935
Energy: 1.1561509898057576
Energy: 1.1787436969584795
Energy: 1.1561509898077926
Energy: 1.1787436969580722
Energy: 1.1561509898069786
Energy: 1.2031226356094296
Energy: 1.1534108491097776
Energy: 1.2031226356090226
Energy: 1.1534108491122197
Energy: 1.2031226356098366
Energy: 1.1534108491101844
Energy: 1.4033352182786083
Energy: 1.2093459887212084
Energy: 1.4033352182757595
Energy: 1.252989545300159
Energy: 1.4033352182777945
Energy: 1.2417754916626147
Energy: 1.1680354350835052
Energy: 1.2423114066424257
Energy: 1.1680354350843192
Energy: 1.242311406645275
Energy: 1.1680354350839122
Energy: 1.242311406642019
Energy: 1.140852092272162
Energy: 1.3752615527670216
Energy: 1.1408520922733831
Energy: 1.3752615527666148
Energy: 1.1408520922733831
Energy: 1.3752615527662075
Energy: 1.6560002683853468
Energy: 1.1600390296556795
Energy: 1.6560002683873816
Energy: 1.1600390296536445
Energy: 1.6560002683865676
Energy: 1.1600390296544585
Energy: 1.243244555185114
Energy: 1.6318355873584476
Energy: 1.2432445551863351
Energy: 1.6318355873580401
Energy: 1.2432445551859281
Energy: 1.6318355873584476
Energy: 1.1801715697560013
Energy: 1.1586175664820346
Energy: 1.1801715697560013
Energy: 1.1586175664816276
Energy: 1.1801715697560013
Energy: 1.1586175664795924
Energy: 1.1508478172211198
Energy: 1.3790030088372156
Energy: 1.1508478172215268
Energy: 1.3790030088368086
Energy: 1.1508478172215268
Energy: 1.3790030088376224
Energy: 1.1912899416906182
Energy: 1.138236535105987
Energy: 1.1912899417052707
Energy: 1.1382365351068011
Energy: 1.1912899416946885
Energy: 1.1382365351063943
Energy: 1.3721883836093325
Energy: 1.51261755726062
Energy: 1.3721883836093325
Energy: 1.5126175572618408
Energy: 1.3721883836093325
Energy: 1.51261755726062
Energy: 1.1676147762980693
Energy: 1.253313706738349
Energy: 1.167614776296848
Energy: 1.253313706733872
Energy: 1.167614776297662
Energy: 1.2533137067363138
Energy: 1.423570596003096
Energy: 1.263409895145993
Energy: 1.423570596002689
Energy: 1.263409895147214
Energy: 1.42357059600391
Energy: 1.263409895145993
Energy: 1.4882179091414338
Energy: 1.4204745326821961
Energy: 1.4882179091418408
Energy: 1.4204745326809751
Energy: 1.4882179091422478
Energy: 1.420474532678126
Energy: 1.1375390741076985
Energy: 1.161188446219312
Energy: 1.1375390741089195
Energy: 1.1611884462189053
Energy: 1.1375390741076985
Energy: 1.161188446218498
Energy: 1.1431367397455316
Energy: 1.4814423888942123
Energy: 1.1431367397455316
Energy: 1.4814423888917703
Energy: 1.1431367397471597
Energy: 1.4814423888938055
Energy: 1.4142244771519317
Energy: 1.2010156566656625
Energy: 1.4142244771507106
Energy: 1.2010156566660697
Energy: 1.4142244771515247
Energy: 1.2010156566660697
Energy: 1.1432441870901793
Energy: 1.4814398750101645
Energy: 1.1432441870905863
Energy: 1.4814398750105717
Energy: 1.1432441870918073
Energy: 1.4814398750097577
Energy: 1.1803242047994198
Energy: 1.160302422369789
Energy: 1.1803242047986056
Energy: 1.160302422369789
Energy: 1.1803242047981986
Energy: 1.1603024223693823
Energy: 1.4880361417334174
Energy: 1.4202433730924577
Energy: 1.4880361417338244
Energy: 1.420243373098156
Energy: 1.4880361417350454
Energy: 1.420243373094493
Energy: 1.424025742993586
Energy: 1.3569997881306328
Energy: 1.4240257429976564
Energy: 1.356999788131447
Energy: 1.424025742993586
Energy: 1.356999788131447
Energy: 1.1682579943737232
Energy: 1.2534583438836508
Energy: 1.1682579943753513
Energy: 1.2534583438840579
Energy: 1.1682579943794216
Energy: 1.2534583438836508
Energy: 1.3726688547642785
Energy: 1.271732371301151
Energy: 1.3726688547622432
Energy: 1.2717323713023718
Energy: 1.3726688547667203
Energy: 1.271732371301151
Energy: 1.1934384338334674
Energy: 1.1569570600734937
Energy: 1.193438433830211
Energy: 1.156957060099136
Energy: 1.1934384338383517
Energy: 1.1569570600751218
Energy: 1.1510688624001686
Energy: 1.184130918719856
Energy: 1.1510688623969128
Energy: 1.1841309187186349
Energy: 1.1510688623977263
Energy: 1.184130918719856
Energy: 1.180201633711928
Energy: 1.1591166119631084
Energy: 1.180201633712335
Energy: 1.1591166119627014
Energy: 1.1802016337115213
Energy: 1.1591166119639225
Energy: 1.2420736170581732
Energy: 1.603076320208014
Energy: 1.2420736170577662
Energy: 1.603076320208828
Energy: 1.2420736170577662
Energy: 1.603076320208014
Energy: 1.6694682181301266
Energy: 1.161677136780963
Energy: 1.6694682181305336
Energy: 1.1616771367834053
Energy: 1.6694682181289056
Energy: 1.161677136782591
Energy: 1.1406592686329917
Energy: 1.3756523729665124
Energy: 1.1406592686329917
Energy: 1.3756523729673265
Energy: 1.1406592686325845
Energy: 1.3756523729648842
Energy: 1.167959222790433
Energy: 1.241466916989077
Energy: 1.167959222789619
Energy: 1.2414669169846
Energy: 1.1679592227900257
Energy: 1.241466916982972
Energy: 1.4030752583485675
Energy: 1.174660959993914
Energy: 1.4030752583481607
Energy: 1.1746609599874016
Energy: 1.4030752583522308
Energy: 1.1746609599817035
Energy: 1.2031800992810677
Energy: 1.153742425755998
Energy: 1.2031800992810677
Energy: 1.153742425755184
Energy: 1.2031800992806607
Energy: 1.153742425757219
Energy: 1.1788291180707542
Energy: 1.1560381646580011
Energy: 1.1788291180731592
Energy: 1.1560381646575941
Energy: 1.1788291180727521
Energy: 1.1560381646588151
Energy: 1.129674430022895
Energy: 1.591514257490164
Energy: 1.1296744300200459
Energy: 1.5915142574653356
Energy: 1.1296744300204529
Energy: 1.5915142574620798
Energy: 1.6399478991574288
Energy: 1.1291102977299534
Energy: 1.6399478991643481
Energy: 1.1291102977303604
Energy: 1.639947899163127
Energy: 1.1291102977291394
Energy: 1.546560384173865
Energy: 1.1824752105069545
Energy: 1.5465603841742726
Energy: 1.1824752105085825
Energy: 1.546560384173865
Energy: 1.182475210506141
Energy: 1.6399054580552057
Energy: 1.333754624283281
Energy: 1.6399054580588688
Energy: 1.3337546242836882
Energy: 1.6399054580690444
Energy: 1.333754624284909
Energy: 1.1291284329961309
Energy: 1.6071648854647422
Energy: 1.129128432998166
Energy: 1.6071648854655562
Energy: 1.1291284330006082
Energy: 1.6071648854655562
Energy: 1.1787436969576655
Energy: 1.1561509898195963
Energy: 1.1787436969560372
Energy: 1.1561509898187825
Energy: 1.1787436969568512
Energy: 1.1561509898187825
Energy: 1.2031226356082083
Energy: 1.1534108491138477
Energy: 1.2031226356086155
Energy: 1.1534108491105917
Energy: 1.2031226356082083
Energy: 1.1534108491101844

minimum gb energy = 1.1291102977291394 eV
minimum distance =  2.33099619767516 Angstroms
sigma value = 57


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

Energy: 0.6020502698993925
Energy: 0.6117631167584268
Energy: 0.6020502698993925
Energy: 0.6117631167584268
Energy: 0.6020502699003191
Energy: 0.6117631167565737
Energy: 0.7076809123097838
Energy: 0.6118852258644847
Energy: 0.7076809123125634
Energy: 0.6118852258644847
Energy: 0.7076809123079307
Energy: 0.6118852258654112
Energy: 0.6501591559170715
Energy: 0.6995984750982941
Energy: 0.6501591559170715
Energy: 0.6995984750982941
Energy: 0.650159155917998
Energy: 0.6995984750982941
Energy: 0.614305933452301
Energy: 0.6017296594638548
Energy: 0.6143059334569337
Energy: 0.6017296594620017
Energy: 0.6143059334532276
Energy: 0.6017296594620017
Energy: 0.7085011138457679
Energy: 0.7081681823151751
Energy: 0.7085011138457679
Energy: 0.7081681823151751
Energy: 0.7085011138457679
Energy: 0.7081681823179546
Energy: 0.6019662605986579
Energy: 0.6509498315112223
Energy: 0.6019662605995845
Energy: 0.6509498315112223
Energy: 0.6019662605986579
Energy: 0.6509498315112223
Energy: 0.601961077361853
Energy: 0.6510866781308439
Energy: 0.6019610773637059
Energy: 0.651086678132697
Energy: 0.601961077361853
Energy: 0.6510866781317706
Energy: 0.7083292470768694
Energy: 0.708664175611306
Energy: 0.708329247075943
Energy: 0.708664175613159
Energy: 0.708329247075943
Energy: 0.7086641756122324
Energy: 0.6142947706413
Energy: 0.6017199145369492
Energy: 0.6142947706422265
Energy: 0.6017199145360226
Energy: 0.6142947706403735
Energy: 0.6017199145397287
Energy: 0.649534023423708
Energy: 0.6996689982029434
Energy: 0.6495340234227813
Energy: 0.6996689982020168
Energy: 0.6495340234227813
Energy: 0.6996689982010903
Energy: 0.7071499881303903
Energy: 0.6119163961710524
Energy: 0.7071499881303903
Energy: 0.6119163961729055
Energy: 0.7071499881313169
Energy: 0.611916396171979
Energy: 0.6020502698993925
Energy: 0.6117631167593532
Energy: 0.6020502698993925
Energy: 0.6117631167575003
Energy: 0.6020502698993925
Energy: 0.6117631167593532
Energy: 0.7076809123134898
Energy: 0.6118852258617051
Energy: 0.7076809123134898
Energy: 0.6118852258617051
Energy: 0.7076809123070043
Energy: 0.6118852258607786
Energy: 0.650159155917998
Energy: 0.699598475096441
Energy: 0.650159155917998
Energy: 0.6995984750973674
Energy: 0.6501591559189245
Energy: 0.6995984750955145
Energy: 0.6143059334532276
Energy: 0.6017296594620017
Energy: 0.614305933452301
Energy: 0.6017296594620017
Energy: 0.6143059334532276
Energy: 0.6017296594657078
Energy: 0.7085011138466943
Energy: 0.7081681823123955
Energy: 0.7085011138466943
Energy: 0.7081681823142486
Energy: 0.7085011138457679
Energy: 0.7081681823142486
Energy: 0.6019662605986579
Energy: 0.6509498315112223
Energy: 0.6019662605986579
Energy: 0.6509498315112223
Energy: 0.6019662605986579
Energy: 0.6509498315112223
Energy: 0.6019610773627794
Energy: 0.6510866781336235
Energy: 0.6019610773637059
Energy: 0.6510866781308439
Energy: 0.601961077361853
Energy: 0.651086678128991
Energy: 0.708329247075943
Energy: 0.708664175611306
Energy: 0.7083292470768694
Energy: 0.7086641756075998
Energy: 0.708329247075943
Energy: 0.708664175611306

minimum gb energy = 0.6017199145360226 eV
minimum distance =  2.4598404335332 Angstroms
sigma value = 11


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

Energy: 1.2608851634716396
Energy: 1.1564871902003502
Energy: 1.2608851634702822
Energy: 1.1564871902017078
Energy: 1.2608851634709608
Energy: 1.156487190201029
Energy: 1.3401260766588574
Energy: 1.1159467238110001
Energy: 1.3401260766588574
Energy: 1.1159467238116791
Energy: 1.3401260766588574
Energy: 1.1159467238123577
Energy: 1.1587592826583135
Energy: 1.53064376304985
Energy: 1.1587592826583135
Energy: 1.530643763045099
Energy: 1.1587592826583135
Energy: 1.5306437630491714
Energy: 1.3759127360594587
Energy: 1.1197848153988916
Energy: 1.3759127360581016
Energy: 1.119784815398213
Energy: 1.3759127360574228
Energy: 1.1197848153975343
Energy: 1.1433614302238035
Energy: 0.869035481315392
Energy: 1.1433614302238035
Energy: 0.869035481315392
Energy: 1.1433614302231248
Energy: 0.8690354813160706
Energy: 1.2293848914274332
Energy: 1.2242368541019795
Energy: 1.2293848914247185
Energy: 1.224236854101301
Energy: 1.2293848914240395
Energy: 1.224236854101301
Energy: 0.831739910335362
Energy: 1.3616737755282755
Energy: 0.8317399103346831
Energy: 1.3616737755296329
Energy: 0.8317399103299322
Energy: 1.3616737755289543
Energy: 1.2967401130684766
Energy: 0.8420079342912447
Energy: 1.2967401130677978
Energy: 0.8420079342919233
Energy: 1.2967401130677978
Energy: 0.8420079342926021
Energy: 1.158668646630643
Energy: 0.8552900179296691
Energy: 1.158668646630643
Energy: 0.8552900179296691
Energy: 1.1586686466320004
Energy: 0.8552900179296691
Energy: 0.8335497716533266
Energy: 1.4125203942741007
Energy: 0.8335497716553627
Energy: 1.4125203942734221
Energy: 0.8335497716553627
Energy: 1.4125203942734221
Energy: 1.2685074722543497
Energy: 1.398929243587159
Energy: 1.2685074722495988
Energy: 1.398929243587159
Energy: 1.2685074722509564
Energy: 1.3989292435878375
Energy: 1.1408261865919904
Energy: 0.9633574141645881
Energy: 1.1408261865933478
Energy: 0.9633574141632305
Energy: 1.140826186592669
Energy: 0.9633574141659453
Energy: 1.169097898856795
Energy: 1.124915668087849
Energy: 1.1690978988574736
Energy: 1.124915668087849
Energy: 1.1690978988574736
Energy: 1.1249156680885277
Energy: 1.3368366736268613
Energy: 1.4394383590268232
Energy: 1.3368366736261825
Energy: 1.439438359027502
Energy: 1.3368366736275399
Energy: 1.439438359027502
Energy: 1.3949263504511826
Energy: 1.1228213685871506
Energy: 1.3949263504498253
Energy: 1.1228213685871506
Energy: 1.3949263504471103
Energy: 1.1228213685871506
Energy: 1.2622239858852893
Energy: 1.1541248025578443
Energy: 1.2622239858873254
Energy: 1.1541248025551296
Energy: 1.262223985885968
Energy: 1.1541248025558082
Energy: 1.0114797462538463
Energy: 1.1138164050916535
Energy: 1.011479746252489
Energy: 1.1138164050916535
Energy: 1.0114797462511316
Energy: 1.1138164050916535
Energy: 1.4956917204404938
Energy: 1.7156709118249471
Energy: 1.4956917204398152
Energy: 1.7156709118222322
Energy: 1.4956917204398152
Energy: 1.7156709118235898
Energy: 1.384069154793956
Energy: 1.0681221820852227
Energy: 1.3840691547925985
Energy: 1.0681221820872588
Energy: 1.384069154793956
Energy: 1.0681221820845441
Energy: 1.1451165118738038
Energy: 1.014012207551944
Energy: 1.1451165118731252
Energy: 1.014012207551944
Energy: 1.1451165118724465
Energy: 1.014012207551944
Energy: 0.866586143122901
Energy: 1.1858588690451302
Energy: 0.8665861431242584
Energy: 1.185858869043094
Energy: 0.866586143118829
Energy: 1.1858588690437728
Energy: 1.2457463923016903
Energy: 1.3959805246703527
Energy: 1.2457463922962608
Energy: 1.3959805246710315
Energy: 1.2457463922969394
Energy: 1.3959805246737464
Energy: 1.2987288044512426
Energy: 1.2050583865263922
Energy: 1.2987288044505638
Energy: 1.205058386527071
Energy: 1.2987288044505638
Energy: 1.2050583865277495
Energy: 1.1603640266947526
Energy: 0.9976296146994977
Energy: 1.1603640266947526
Energy: 0.9976296146988191
Energy: 1.1603640266940736
Energy: 0.9976296146974617
Energy: 0.8661388329285151
Energy: 1.4190271068883795
Energy: 0.8661388329210493
Energy: 1.4190271068856646
Energy: 0.866138832921728
Energy: 1.419027106887022
Energy: 1.7084249289154874
Energy: 1.4037991414155642
Energy: 1.7084249289161662
Energy: 1.4037991414155642
Energy: 1.7084249289222746
Energy: 1.4037991414155642

minimum gb energy = 0.8317399103299322 eV
minimum distance =  2.35500466899671 Angstroms
sigma value = 41


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

Energy: 1.496998030439943
Energy: 1.1010890988483157
Energy: 1.496998030441548
Energy: 1.1010890988483157
Energy: 1.496998030441013
Energy: 1.1010890988483157
Energy: 1.463029239783511
Energy: 1.3144229053378642
Energy: 1.4630292397856508
Energy: 1.3144229053378642
Energy: 1.4630292397824414
Energy: 1.3144229053378642
Energy: 1.6205580873955716
Energy: 1.781081616972167
Energy: 1.6205580873945018
Energy: 1.781081616972167
Energy: 1.6205580873945018
Energy: 1.781081616972167
Energy: 1.2318761228633686
Energy: 1.045130319338518
Energy: 1.2318761228639035
Energy: 1.045130319336913
Energy: 1.231876122861229
Energy: 1.0451303193374482
Energy: 0.9050435750160867
Energy: 1.0801397859360187
Energy: 0.9050435750150169
Energy: 1.0801397859370885
Energy: 0.9050435750160867
Energy: 1.0801397859354838
Energy: 1.1601419988525294
Energy: 1.4768651946204874
Energy: 1.1601419988514599
Energy: 1.4768651946188824
Energy: 1.160141998856274
Energy: 1.4768651946199522
Energy: 0.884425829104837
Energy: 1.5941352416737569
Energy: 0.8844258291043021
Energy: 1.5941352416742915
Energy: 0.8844258291010926
Energy: 1.5941352416737569
Energy: 0.8983912637397142
Energy: 1.0454672409614325
Energy: 0.8983912637386444
Energy: 1.0454672409625023
Energy: 0.8983912637397142
Energy: 1.0454672409603627
Energy: 0.9118244119723405
Energy: 1.1494889578142353
Energy: 0.9118244119718055
Energy: 1.1494889578147705
Energy: 0.9118244119718055
Energy: 1.1494889578142353
Energy: 0.9407805403454448
Energy: 1.6062429304345363
Energy: 0.9407805403465146
Energy: 1.6062429304350712
Energy: 0.9407805403465146
Energy: 1.6062429304345363
Energy: 1.212911182752559
Energy: 1.6560985616613613
Energy: 1.2129111827530938
Energy: 1.6560985616613613
Energy: 1.2129111827573247
Energy: 1.6560985616608268
Energy: 1.1085147608222048
Energy: 1.2107671919844587
Energy: 1.1085147608238097
Energy: 1.2107671919855287
Energy: 1.1085147608222048
Energy: 1.2107671919855287
Energy: 0.9264002669483618
Energy: 1.0098853684671159
Energy: 0.9264002669494316
Energy: 1.0098853684633713
Energy: 0.9264002669478268
Energy: 1.0098853684649762
Energy: 0.8577630547838074
Energy: 1.463417669881523
Energy: 0.8577630547832725
Energy: 1.4634176698868724
Energy: 0.8577630547832725
Energy: 1.4634176698799182
Energy: 1.4414877619147213
Energy: 1.4790027413997333
Energy: 1.4414877619141866
Energy: 1.4790027413986635
Energy: 1.4414877619147213
Energy: 1.4790027413997333
Energy: 0.9034378307979697
Energy: 1.143243326162673
Energy: 0.9034378307979697
Energy: 1.1432433261637431
Energy: 0.9034378307985047
Energy: 1.1432433261621382
Energy: 0.9357904988693901
Energy: 1.009399721349948
Energy: 0.9357904988693901
Energy: 1.009399721349948
Energy: 0.935790498868855
Energy: 1.0093997213504826
Energy: 1.3585046777117071
Energy: 1.7619013925638145
Energy: 1.3585046777117071
Energy: 1.7619013925643494
Energy: 1.3585046777117071
Energy: 1.7619013925622098
Energy: 1.4616780109794378
Energy: 1.3147918957555833
Energy: 1.461678010978368
Energy: 1.314791895756653
Energy: 1.4616780109762282
Energy: 1.3147918957555833
Energy: 1.1307634893921885
Energy: 1.3604091448810258
Energy: 1.130763489389514
Energy: 1.3604091448810258
Energy: 1.1307634893873741
Energy: 1.3604091448810258
Energy: 0.9216391183421744
Energy: 1.351407474873175
Energy: 0.9216391183416394
Energy: 1.351407474873175
Energy: 0.9216391183427092
Energy: 1.351407474873175
Energy: 1.5892804571506138
Energy: 1.584469208424521
Energy: 1.5892804571506138
Energy: 1.5844692084218464
Energy: 1.5892804571506138
Energy: 1.5844692084213117
Energy: 1.2114061928578208
Energy: 0.941968044508762
Energy: 1.2114061928572857
Energy: 0.9419680445066224
Energy: 1.2114061928594255
Energy: 0.9419680444991333
Energy: 0.9035869812969786
Energy: 1.369082389323573
Energy: 0.9035869812969786
Energy: 1.3690823893230377
Energy: 0.9035869812975135
Energy: 1.3690823893230377
Energy: 0.8952085586562151
Energy: 1.5681356791467107
Energy: 0.8952085586567501
Energy: 1.5681356791467107
Energy: 0.8952085586578199
Energy: 1.5681356791467107
Energy: 0.883597101388334
Energy: 0.8820511242729895
Energy: 0.8835971013904738
Energy: 0.8820511242740594
Energy: 0.8835971013920785
Energy: 0.8820511242719198
Energy: 0.8812338116952526
Energy: 1.0510819381690064
Energy: 0.8812338116963224
Energy: 1.0510819381711463
Energy: 0.8812338116941826
Energy: 1.051081938171681
Energy: 0.8967020137388714
Energy: 1.353178729426389
Energy: 0.8967020137404761
Energy: 1.353178729426389
Energy: 0.8967020137388714
Energy: 1.353178729426924
Energy: 1.3143929345057406
Energy: 1.3605581848300654
Energy: 1.3143929345068106
Energy: 1.3605581848295305
Energy: 1.3143929345084153
Energy: 1.3605581848295305
Energy: 1.368415006062605
Energy: 1.0530650874667529
Energy: 1.368415005207109
Energy: 1.0530650874688925
Energy: 1.368415006049767
Energy: 1.053065087466218
Energy: 1.0789668387008957
Energy: 1.1179397131274578
Energy: 1.0789668387008957
Energy: 1.117939713126388
Energy: 1.0789668387003608
Energy: 1.1179397131253181
Energy: 0.9605498160518128
Energy: 0.9309892599453737
Energy: 0.9605498160502081
Energy: 0.9309892599475136
Energy: 0.9605498160518128
Energy: 0.9309892599464437
Energy: 0.8566488330329902
Energy: 1.1588740823845043
Energy: 0.8566488330324554
Energy: 1.1588740823855739
Energy: 0.8566488330319204
Energy: 1.158874082386109

minimum gb energy = 0.8566488330319204 eV
minimum distance =  2.39036380541407 Angstroms
sigma value = 33


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

Energy: 1.1993328485901829
Energy: 0.9557653740503269
Energy: 1.1993328485898413
Energy: 0.9557653740484838
Energy: 1.1993328485913433
Energy: 0.9557653740510776
Energy: 1.7869206233773494
Energy: 0.9190256270974759
Energy: 1.7869206233765986
Energy: 0.9190256270967252
Energy: 1.7869206233746873
Energy: 0.9190256270967252
Energy: 1.7427984038220752
Energy: 1.9982525729047957
Energy: 1.7427984038217337
Energy: 1.9982525729032938
Energy: 1.7427984038220752
Energy: 1.9982525729062972
Energy: 1.2703776752468396
Energy: 1.037615826866212
Energy: 1.2703776752505938
Energy: 1.03761582686471
Energy: 1.2703776752501843
Energy: 1.0376158268654612
Energy: 0.9754021576233599
Energy: 1.6059483534027905
Energy: 0.9754021576237695
Energy: 1.6059483534020398
Energy: 0.9754021576233599
Energy: 1.6059483534016303
Energy: 1.4236880294397045
Energy: 1.2205426392785768
Energy: 1.4236880294407968
Energy: 1.2205426392789864
Energy: 1.4236880294397045
Energy: 1.2205426392789864
Energy: 1.1165340314008378
Energy: 1.3665211213045318
Energy: 1.1165340314019983
Energy: 1.3665211213045318
Energy: 1.116534031402749
Energy: 1.3665211213079447
Energy: 1.10338077933688
Energy: 1.0931464118261072
Energy: 1.1033807793248664
Energy: 1.0931464118256975
Energy: 1.1033807793203614
Energy: 1.0931464118279501
Energy: 1.601368477043966
Energy: 1.0252820016293454
Energy: 1.6013684770443075
Energy: 1.025282001628185
Energy: 1.6013684770435566
Energy: 1.0252820016285944
Energy: 2.0029619481935366
Energy: 0.9214379611348374
Energy: 2.0029619481923757
Energy: 0.9214379611359979
Energy: 2.0029619481935366
Energy: 0.9214379611355882
Energy: 1.0938009890347478
Energy: 1.3074922843729153
Energy: 1.0938009890347478
Energy: 1.3074922843672498
Energy: 1.0938009890362494
Energy: 1.3074922843492298
Energy: 1.6321850173386223
Energy: 0.9523365292082198
Energy: 1.6321850173386223
Energy: 0.9523365292127247
Energy: 1.6321850173386223
Energy: 0.9523365292093118
Energy: 1.023691006562431
Energy: 1.596884859760739
Energy: 1.0236910065718507
Energy: 1.596884859762582
Energy: 1.0236910065601783
Energy: 1.5968848597622407
Energy: 0.9503966748427933
Energy: 0.9557686304461996
Energy: 0.9503966748401312
Energy: 0.9557686304507046
Energy: 0.9503966748450459
Energy: 0.9557686304518649
Energy: 0.9434427728418388
Energy: 1.0718087377496417
Energy: 0.9434427728418388
Energy: 1.0718087377522356
Energy: 0.9434427728429992
Energy: 1.0718087377522356
Energy: 0.9811452612859694
Energy: 1.2902875353776264
Energy: 0.9811452612867203
Energy: 1.2902875353427468
Energy: 0.9811452612867203
Energy: 1.2902875353772851
Energy: 1.6183360883174056
Energy: 1.047089580199595
Energy: 1.6183360883166547
Energy: 1.047089580201438
Energy: 1.6183360883166547
Energy: 1.047089580198093
Energy: 1.0223005119375832
Energy: 1.2686616262888013
Energy: 1.022300511937242
Energy: 1.2686616262880506
Energy: 1.0223005119357402
Energy: 1.2686616262872994
Energy: 2.0000138955807065
Energy: 1.2694940936475725
Energy: 2.000013895583369
Energy: 1.2694940936460706
Energy: 2.0000138955822084
Energy: 1.2694940936449104
Energy: 1.6105999767029122
Energy: 1.072282376782439
Energy: 1.6105999767018204
Energy: 1.0722823767839404
Energy: 1.6105999767014108
Energy: 1.0722823767835994
Energy: 0.9665014001537946
Energy: 1.1210865773336867
Energy: 0.9665014001526342
Energy: 1.121086577332936
Energy: 0.9665014001533853
Energy: 1.1210865773325946
Energy: 0.8918964732092399
Energy: 1.5858758652011968
Energy: 0.8918964732096494
Energy: 1.5858758651985347
Energy: 0.8918964732092399
Energy: 1.5858758651992855
Energy: 1.5602261261261077
Energy: 1.4849900490111279
Energy: 1.560226126125357
Energy: 1.4849900490107182
Energy: 1.5602261261212618
Energy: 1.484990049010377
Energy: 0.9628889336644826
Energy: 1.412555135470627
Energy: 0.9628889336772468
Energy: 1.412555135471378
Energy: 0.9628889336637317
Energy: 1.4125551354698762
Energy: 1.593975426769435
Energy: 0.9616462862023801
Energy: 1.5939754267705952
Energy: 0.9616462862031309
Energy: 1.5939754267713462
Energy: 0.9616462862001275
Energy: 1.207859588691407
Energy: 1.7220413143791053
Energy: 1.2078595886899053
Energy: 1.7220413143944633
Energy: 1.2078595886899053
Energy: 1.7220413143798559
Energy: 1.5952502099745776
Energy: 0.9033531832752133
Energy: 1.595250209976079
Energy: 0.9033531832692749
Energy: 1.5952502099648167
Energy: 0.9033531832707766
Energy: 1.130161273227211
Energy: 0.9716311740011112
Energy: 1.1301612732249586
Energy: 0.9716311740022034
Energy: 1.1301612732114437
Energy: 0.9716311740052067
Energy: 1.2504713664753169
Energy: 1.596937864158543
Energy: 1.2504713664760678
Energy: 1.596937864158953
Energy: 1.2504713664749074
Energy: 1.596937864158953
Energy: 0.9180473634720988
Energy: 2.0069095091909
Energy: 0.9180473634720988
Energy: 2.0069095091912414
Energy: 0.9180473634705971
Energy: 2.0069095091919924
Energy: 1.1676506009380712
Energy: 0.909120576130216
Energy: 1.1676506009365695
Energy: 0.9091205761317177
Energy: 1.1676506009365695
Energy: 0.909120576131308
Energy: 1.0615056524988025
Energy: 1.6163509722973106
Energy: 1.061505652496891
Energy: 1.6163509722977196
Energy: 1.061505652496891
Energy: 1.6163509722973106
Energy: 1.609531283955521
Energy: 0.9823890857553544
Energy: 1.6095312839551115
Energy: 0.9823890857516002
Energy: 1.609531283955521
Energy: 0.9823890857500985
Energy: 0.9545253157013449
Energy: 0.945916370614751
Energy: 0.9545253157084437
Energy: 0.9459163706124984
Energy: 0.9545253157058499
Energy: 0.9459163706099047
Energy: 1.1036550092213682
Energy: 0.9458220405939979
Energy: 1.1036550092288084
Energy: 0.9458220405914041
Energy: 1.1036550092217094
Energy: 0.9458220405996632
Energy: 1.6099092626541813
Energy: 0.9805222186573258
Energy: 1.6099092626549323
Energy: 0.9805222186498174
Energy: 1.6099092626549323
Energy: 0.9805222186498174
Energy: 0.966760275707155
Energy: 1.6161825243930974
Energy: 0.9667602757105678
Energy: 1.6161825243926877
Energy: 0.9667602757101582
Energy: 1.6161825243926877
Energy: 1.1674392203621795
Energy: 0.9086440077394904
Energy: 1.1674392203629305
Energy: 0.9086440077379886
Energy: 1.16743922036177
Energy: 0.9086440077387394
Energy: 0.9179524230160925
Energy: 2.006773214467142
Energy: 0.9179524230168433
Energy: 2.0067732144667327
Energy: 0.9179524230168433
Energy: 2.0067732144663912
Energy: 1.250382014609772
Energy: 1.5970336809952261
Energy: 1.2503820146094307
Energy: 1.5970336809952261
Energy: 1.250382014609772
Energy: 1.5970336809963186
Energy: 1.2020365649539835
Energy: 0.9569890293146056
Energy: 1.2020365649513896
Energy: 0.9569890293284622
Energy: 1.2020365649513896
Energy: 0.9569890293281208
Energy: 1.586114653365045
Energy: 0.9030453071801485
Energy: 1.5861146533567856
Energy: 0.9030453071805581
Energy: 1.5861146533609491
Energy: 0.9030453071801485
Energy: 1.2078449477783526
Energy: 1.5722616258646473
Energy: 1.2078449477810147
Energy: 1.572261625865398
Energy: 1.2078449477798545
Energy: 1.5722616258661488
Energy: 1.5933005079950078
Energy: 0.9625776792226961
Energy: 1.593300507993916
Energy: 0.962577679221604
Energy: 1.5933005079954174
Energy: 0.9625776792226961
Energy: 0.9653983496011235
Energy: 1.4127719808126589
Energy: 0.9653983496014649
Energy: 1.4127719808126589
Energy: 0.9653983496003727
Energy: 1.4127719808126589
Energy: 1.561575631687575
Energy: 1.4851492828358517
Energy: 1.5615756316898275
Energy: 1.4851492828343498
Energy: 1.5615756316905782
Energy: 1.485149282834691
Energy: 0.8919344185717227
Energy: 1.5902409033866012
Energy: 0.8919344185717227
Energy: 1.5902409033866012
Energy: 0.8919344185724738
Energy: 1.5902409033846898

minimum gb energy = 0.8918964732092399 eV
minimum distance =  2.37610156379518 Angstroms
sigma value = 67


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

Energy: 1.0274569659170905
Energy: 0.9619409290364296
Energy: 1.0274569659170905
Energy: 0.9619409290364296
Energy: 1.0274569659176036
Energy: 0.9619409290364296
Energy: 1.2309391864143215
Energy: 0.9177475658032206
Energy: 1.2309391864150632
Energy: 0.9177475658057298
Energy: 1.2309391864145784
Energy: 0.9177475658057298
Energy: 1.1436743815789594
Energy: 2.2827984776645507
Energy: 1.1436743815764503
Energy: 2.2827984776648074
Energy: 1.1436743815764503
Energy: 2.2827984776648074
Energy: 1.2308709090517038
Energy: 0.9177489197324169
Energy: 1.2308709090511902
Energy: 0.9177489197324169
Energy: 1.2308709090511902
Energy: 0.9177489197324169
Energy: 1.0274569659170905
Energy: 0.9619409290364296
Energy: 1.0274569659165773
Energy: 0.9619409290364296
Energy: 1.027456965917347
Energy: 0.9619409290364296
Energy: 1.230939186414065
Energy: 0.9177475658057298
Energy: 1.2309391864143215
Energy: 0.9177475658057298
Energy: 1.230939186414065
Energy: 0.9177475658057298
Energy: 1.1436743815789594
Energy: 2.2827984776650356
Energy: 1.1436743815764503
Energy: 2.2827984776645507
Energy: 1.1436743815764503
Energy: 2.2827984776648074

minimum gb energy = 0.9177475658032206 eV
minimum distance =  2.47005164489333 Angstroms
sigma value = 3


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

Energy: 1.4587363152740174
Energy: 1.394403429796439
Energy: 1.4587363152774317
Energy: 1.394403429796439
Energy: 1.4587363152842605
Energy: 1.394403429796439
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Energy: 1.2308688954650222
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Energy: 1.814331164174049
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Energy: 1.814331164174049
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Energy: 1.3765204994052822
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Energy: 1.2683218024849106
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Energy: 1.2842903244009476
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Energy: 1.710806759551519
Energy: 1.3806240449532994
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Energy: 1.710806759551519
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Energy: 1.3184785106824533
Energy: 1.1667473301304834
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Energy: 1.1667473301134117
Energy: 1.477956764163359
Energy: 1.2134504167368536
Energy: 1.4779567641667115
Energy: 1.2134504167334395
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Energy: 1.2134504167436826
Energy: 1.5370906441527454
Energy: 1.34594852233834
Energy: 1.537090644149331
Energy: 1.3459485223349255
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Energy: 1.3315670566791193
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Energy: 1.3104154542992559
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Energy: 1.3104154542992559
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Energy: 1.5015633640295105
Energy: 1.3823081520618905
Energy: 1.5015633640295105
Energy: 1.3823081520618905
Energy: 1.2711502684226779
Energy: 1.5768057209073099
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Energy: 1.3620479845533722
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Energy: 1.362047984522643
Energy: 1.2698624681946624
Energy: 1.3620479845397147
Energy: 1.248522298063074
Energy: 1.4829947097111384
Energy: 1.2485222980664883
Energy: 1.4829947097145528
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Energy: 1.314056899197176
Energy: 1.6027306020377692
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Energy: 1.6027306020309402
Energy: 1.314056899197176
Energy: 0.9679609557633191
Energy: 1.4876635879293723
Energy: 0.9679609557633191
Energy: 1.4876635879225435
Energy: 0.9679609557633191
Energy: 1.487663587925958
Energy: 1.3627705273370867
Energy: 1.4509631199221453
Energy: 1.3627705273370867
Energy: 1.4509631199221453
Energy: 1.3627705273370867
Energy: 1.4509631199221453
Energy: 1.232503959085562
Energy: 1.5200315135838371
Energy: 1.2325039590753188
Energy: 1.5200315135838371
Energy: 1.2325039590787332
Energy: 1.520031513580423
Energy: 1.6898361324628646
Energy: 1.1818355180815827
Energy: 1.6898361324628646
Energy: 1.1818355180815827
Energy: 1.6898361324628646
Energy: 1.1818355180815827
Energy: 1.2384683933143297
Energy: 1.6308634401735405
Energy: 1.2384683933143297
Energy: 1.6308634401735405
Energy: 1.2384683933143297
Energy: 1.630863440170126
Energy: 1.3512834844851604
Energy: 1.166325291133739
Energy: 1.3512834844885746
Energy: 1.166325291133739
Energy: 1.3512834844885746
Energy: 1.1663252911371533
Energy: 1.4778309973749364
Energy: 1.311796902037933
Energy: 1.4778309973817652
Energy: 1.311796902037933
Energy: 1.477830997371522
Energy: 1.311796902037933
Energy: 1.4650677652419495
Energy: 1.4333833288702045
Energy: 1.4650677652453639
Energy: 1.4333833288667899
Energy: 1.4650677652419495
Energy: 1.4333833288702045
Energy: 1.175635306330663
Energy: 1.47349031881996
Energy: 1.1756353063272487
Energy: 1.47349031881996
Energy: 1.1756353063272487
Energy: 1.47349031881996
Energy: 1.2543864862243166
Energy: 1.258260476444049
Energy: 1.254386486237974
Energy: 1.258260476444049
Energy: 1.254386486227731
Energy: 1.258260476444049
Energy: 1.2320449496816828
Energy: 1.258546135186082
Energy: 1.2320449496339434
Energy: 1.2585461351826677
Energy: 1.2320449496646106
Energy: 1.258546135186082
Energy: 1.4628310343438717
Energy: 1.5644697704501611
Energy: 1.4628310343336284
Energy: 1.5644697704501611
Energy: 1.4628310343336284
Energy: 1.5644697704501611
Energy: 1.3479562323367462
Energy: 1.4537867023112652
Energy: 1.3479562323367462
Energy: 1.4537867023146795
Energy: 1.3479562323367462
Energy: 1.4537867023112652

minimum gb energy = 0.9679609557633191 eV
minimum distance =  2.28474348902321 Angstroms
sigma value = 81


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

Energy: 1.4796420285970258
Energy: 1.2465900280767117
Energy: 1.1534628284514503
Energy: 1.2465900280781177
Energy: 1.4796420285974943
Energy: 1.2465900280781177
Energy: 1.4474801258553098
Energy: 1.383019182053388
Energy: 1.4474801258567158
Energy: 1.3830191820524504
Energy: 1.4474801258543726
Energy: 1.3830191820538562
Energy: 1.3332164711542596
Energy: 1.4541617521657662
Energy: 1.3068702282841151
Energy: 1.4541617521657662
Energy: 1.3332164711537908
Energy: 1.4541617521652974
Energy: 1.2828059023128675
Energy: 1.784520228035818
Energy: 1.28280590231193
Energy: 1.7845202280362868
Energy: 1.2828059023128675
Energy: 1.78452022803863
Energy: 1.4817364840748455
Energy: 1.374671511686765
Energy: 1.481736484074377
Energy: 1.3746715116858277
Energy: 1.4817364840762515
Energy: 1.3746715116877022
Energy: 1.2444741200617364
Energy: 1.1308421604627634
Energy: 1.2444741200626737
Energy: 1.130842160462295
Energy: 1.2444741200626737
Energy: 1.1308421604627634
Energy: 1.1886206554497416
Energy: 1.5246750090426588
Energy: 1.1886206554492729
Energy: 1.5246750090421903
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Energy: 1.5246750090426588
Energy: 1.3884345518790313
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Energy: 1.2160996604372094
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Energy: 1.3143462120285931
Energy: 1.2193482718384345
Energy: 1.314364025321539
Energy: 1.219348271836134
Energy: 1.3143462120281244
Energy: 1.2193482718370712
Energy: 1.458807681573877
Energy: 1.4944628995204554
Energy: 1.4588076815748143
Energy: 1.4944628995199867
Energy: 1.458807681573877
Energy: 1.4944628995213927
Energy: 1.3797159349202084
Energy: 1.414620497317281
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Energy: 1.4146204973200927
Energy: 1.3797159349192711
Energy: 1.4146204973191554
Energy: 1.5711843130296068
Energy: 1.3560302683387926
Energy: 1.5711843130300753
Energy: 1.356030268341136
Energy: 1.5711843130296068
Energy: 1.3560302683416048
Energy: 1.3886389193084232
Energy: 1.2612938858385074
Energy: 1.3886389193093605
Energy: 1.2612938858389762
Energy: 1.3886389193107664
Energy: 1.2612938858385074
Energy: 1.3802934300335985
Energy: 1.3043885692763069
Energy: 1.3802934300350043
Energy: 1.3043885692758381
Energy: 1.380293430034067
Energy: 1.3043885692749013
Energy: 1.0784850555547036
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Energy: 1.07651177234888
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Energy: 1.4642556899884573
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Energy: 1.2982258311971244
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Energy: 1.2982258311966557
Energy: 1.4552011933180202
Energy: 1.2982258311975932
Energy: 1.3738471306074473
Energy: 1.483148858395411
Energy: 1.3738471306097904
Energy: 1.4831488583958798
Energy: 1.373847130607916
Energy: 1.4831488583944739
Energy: 1.4363072137589588
Energy: 1.4943848873842294
Energy: 1.4363072137589588
Energy: 1.4943848873837606
Energy: 1.4363072137575532
Energy: 1.4943848873832921
Energy: 1.6045256459256096
Energy: 1.8059689818659501
Energy: 1.0825781782956851
Energy: 1.8059689818654814
Energy: 1.6045256459242039
Energy: 1.8059689818664186
Energy: 1.824448305273538
Energy: 1.5952377945569791
Energy: 1.675046082337451
Energy: 1.5952377945579161
Energy: 1.8244483052730693
Energy: 1.5952377945579161
Energy: 1.6904812033822416
Energy: 1.695851792739841
Energy: 1.6904812033817727
Energy: 1.6958517927393721
Energy: 1.6904812033822416
Energy: 1.695851792739841
Energy: 1.3699793121413033
Energy: 1.3310617504026192
Energy: 1.3699793121398975
Energy: 1.3310617504110545
Energy: 1.3699793121403663
Energy: 1.3310617503946953
Energy: 1.449818821466128
Energy: 1.4814801621102442
Energy: 1.4498188214665968
Energy: 1.4814801621102442
Energy: 1.4498188214670655
Energy: 1.4814801621097757
Energy: 1.0460757986997211
Energy: 1.1836168105279938
Energy: 1.0460757986987839
Energy: 1.183616810639482
Energy: 1.0460757987006584
Energy: 1.1836168107209788
Energy: 1.3796744249021509
Energy: 1.3040715899606707
Energy: 1.3796744249044939
Energy: 1.3040715899602022
Energy: 1.3796744249049626
Energy: 1.3040715899616078
Energy: 1.4119256859957445
Energy: 1.4641530952397652
Energy: 1.4119488393111606
Energy: 1.4641530952392965
Energy: 1.411925685994807
Energy: 1.464153095236996
Energy: 1.3054166400809963
Energy: 1.3234990279144776
Energy: 1.305416640079122
Energy: 1.3234990279144776
Energy: 1.305416640080059
Energy: 1.3234990279154148
Energy: 1.7670275745552197
Energy: 1.4133614606548237
Energy: 1.767027574552408
Energy: 1.4133614607082035
Energy: 1.767027574554751
Energy: 1.4133614606805551
Energy: 1.2986964551205256
Energy: 1.4896539487273235
Energy: 1.2986964551205256
Energy: 1.4896539487273235
Energy: 1.2986964551205256
Energy: 1.4896539487254492
Energy: 1.4281766935847051
Energy: 1.281745700109809
Energy: 1.4278988079755914
Energy: 1.281745700109809
Energy: 1.4281766935842364
Energy: 1.2817457001093404
Energy: 1.677939818751345
Energy: 1.2844110338642645
Energy: 1.6779328675319534
Energy: 1.2844110338637957
Energy: 1.6779398187518135
Energy: 1.2844110338675445
Energy: 1.1952348501683523
Energy: 1.5242763993196364
Energy: 1.1885936531974082
Energy: 1.5242763993186992
Energy: 1.1952348501678836
Energy: 1.5242763993172934
Energy: 1.4419770755492294
Energy: 1.3662047965484934
Energy: 1.4419770755492294
Energy: 1.366204797330232
Energy: 1.4419770755496981
Energy: 1.3662047913336781
Energy: 1.4101438132077484
Energy: 1.4389537862394133
Energy: 1.4101438132077484
Energy: 1.438953786239882
Energy: 1.410143813208217
Energy: 1.438953786239882
Energy: 1.6654489411326356
Energy: 1.5249379676849275
Energy: 1.6654489411326356
Energy: 1.524937967684459
Energy: 1.6654489411326356
Energy: 1.524937967684459

minimum gb energy = 1.0460757986987839 eV
minimum distance =  2.3184974718 Angstroms
sigma value = 43


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

Energy: 1.7155305876254174
Energy: 1.4206768820605233
Energy: 1.715530587626569
Energy: 1.4206768820605233
Energy: 1.715530587626569
Energy: 1.4206768820610989
Energy: 1.4336354901297765
Energy: 1.2207947571799
Energy: 1.433635490130352
Energy: 1.2207947571810511
Energy: 1.4336354901297765
Energy: 1.2207947571810511
Energy: 1.2940247745221878
Energy: 1.5930510300049476
Energy: 1.2777245000874349
Energy: 1.5930510300043725
Energy: 1.2940247745221878
Energy: 1.5930510300049476
Energy: 1.5281232155332716
Energy: 1.2134682004399058
Energy: 1.528123215532696
Energy: 1.2134682004404815
Energy: 1.5281232155321203
Energy: 1.2134682004393302
Energy: 1.3965427685719543
Energy: 1.4489657207351883
Energy: 1.3965427685719543
Energy: 1.4489657207351883
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Energy: 1.4489657207351883
Energy: 1.301861002980879
Energy: 1.3659246293019272
Energy: 1.301861002980879
Energy: 1.3659246293007758
Energy: 1.3018610029803033
Energy: 1.3659246293013516
Energy: 1.609553433790531
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Energy: 1.566660101204117
Energy: 1.7268638779590566
Energy: 1.609553433790531
Energy: 1.726863877958481
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Energy: 1.3028554393250524
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Energy: 1.3028554393250524
Energy: 1.413937236270675
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Energy: 1.4488156041487934
Energy: 1.3393199845050745
Energy: 1.4488156041482174
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Energy: 1.4488156041482174
Energy: 1.3393199845050745
Energy: 1.238664346267922
Energy: 1.5188646968855415
Energy: 1.2386643462684979
Energy: 1.5188646968843904
Energy: 1.238664346267922
Energy: 1.5188646968843904
Energy: 1.4506416353598104
Energy: 1.49253803125581
Energy: 1.4506416353615375
Energy: 1.4925380312552343
Energy: 1.4506416353626885
Energy: 1.49253803125581
Energy: 1.3042751677648283
Energy: 1.3569961965037265
Energy: 1.3042751677642526
Energy: 1.3569961965025754
Energy: 1.3042751677648283
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Energy: 1.468771812473237
Energy: 1.552452432829988
Energy: 1.4687718124738127
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Energy: 1.4687718124726614
Energy: 1.5524524328305636
Energy: 1.3136474969221295
Energy: 1.4544171974107982
Energy: 1.313647496922705
Energy: 1.4544171974200082
Energy: 1.3136474969221295
Energy: 1.4544171974119495
Energy: 1.4194727145651587
Energy: 1.3509479086700518
Energy: 1.4194727145657342
Energy: 1.350947908670627
Energy: 1.4194727145651587
Energy: 1.350947908670627
Energy: 1.481316586797808
Energy: 1.4217799491933614
Energy: 1.4813165867983837
Energy: 1.421779949193937
Energy: 1.4813165867983837
Energy: 1.4217799491933614
Energy: 1.4246928780066475
Energy: 1.4499044836520043
Energy: 1.424692878006072
Energy: 1.4499044836520043
Energy: 1.4246928780066475
Energy: 1.44990448365258
Energy: 1.727307367149964
Energy: 1.3386801715516679
Energy: 1.7273073671493884
Energy: 1.3386801715510923
Energy: 1.7273073671493884
Energy: 1.3386801715493652
Energy: 1.7285531795596414
Energy: 1.3563081469546736
Energy: 1.7285531795596414
Energy: 1.3563081469540983
Energy: 1.728553179559066
Energy: 1.3563081469535223
Energy: 1.516753251159202
Energy: 1.4461503903111417
Energy: 1.516753251159202
Energy: 1.446150390312293
Energy: 1.5167532511597777
Energy: 1.4461503903105661
Energy: 1.427381576406549
Energy: 1.5134732980940828
Energy: 1.4273815764059734
Energy: 1.5134732980940828
Energy: 1.427381576406549
Energy: 1.513473298093507
Energy: 1.5051597777837207
Energy: 1.2113681510793373
Energy: 1.5051597777837207
Energy: 1.2113681510787613
Energy: 1.5051597777842962
Energy: 1.2113681510787613
Energy: 1.3159443946935039
Energy: 1.4727232612963148
Energy: 1.3159443946940794
Energy: 1.4727232612940122
Energy: 1.315944394695231
Energy: 1.4727232612940122
Energy: 1.4629222390804784
Energy: 1.6210871070854322
Energy: 1.462922239081054
Energy: 1.6210871070854322
Energy: 1.4629222390804784
Energy: 1.6210871070848567
Energy: 1.3033778018588555
Energy: 1.2948725673154446
Energy: 1.3033778018600066
Energy: 1.2948725673148689
Energy: 1.303377801861158
Energy: 1.2948725673137176
Energy: 1.716134256440156
Energy: 1.3240612681646857
Energy: 1.7161342564407318
Energy: 1.3240612681646857
Energy: 1.7161342564407318
Energy: 1.32406126816411
Energy: 1.2408505837224304
Energy: 1.3449252737712354
Energy: 1.2408505837218546
Energy: 1.344925273770084
Energy: 1.2408505837224304
Energy: 1.3449252737712354
Energy: 1.4768685271592008
Energy: 1.384480940642666
Energy: 1.4768685271568982
Energy: 1.3844809406415148
Energy: 1.4768685271592008
Energy: 1.3844809406415148
Energy: 1.303061804563834
Energy: 1.2602894154401827
Energy: 1.3030618045644096
Energy: 1.2602894154390314
Energy: 1.3030618045644096
Energy: 1.2602894154407582
Energy: 1.7054416975144218
Energy: 1.592527955380271
Energy: 1.7054416975144218
Energy: 1.592527955380271
Energy: 1.7054416975149973
Energy: 1.592527955380271
Energy: 1.3111985285540046
Energy: 1.3636820731582187
Energy: 1.311198528553429
Energy: 1.3636820731576431
Energy: 1.3111985285540046
Energy: 1.3636820731553407

minimum gb energy = 1.2113681510787613 eV
minimum distance =  2.29024674895684 Angstroms
sigma value = 57


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

Energy: 1.495563129799503
Energy: 1.40787955462848
Energy: 1.4955631297987575
Energy: 1.40787955462848
Energy: 1.4955631297987575
Energy: 1.4078795546292253
Energy: 1.3226248757799222
Energy: 1.094233884387411
Energy: 1.322624875782158
Energy: 1.0942338843866657
Energy: 1.3226248757791765
Energy: 1.094233884387411
Energy: 1.3290341482073846
Energy: 1.595251897049041
Energy: 1.3290341482073846
Energy: 1.595251897049041
Energy: 1.3290341482073846
Energy: 1.595251897049041
Energy: 1.753957818845619
Energy: 1.25861422672165
Energy: 1.753957818845619
Energy: 1.2586142267179234
Energy: 1.753957818845619
Energy: 1.25861422672165
Energy: 1.6118147155506803
Energy: 1.4186408480260364
Energy: 1.6118147155514255
Energy: 1.4186408480252912
Energy: 1.6118147155506803
Energy: 1.4186408480252912
Energy: 1.3153117992350587
Energy: 1.229889530151399
Energy: 1.3153117992350587
Energy: 1.229889530152144
Energy: 1.315311799236549
Energy: 1.229889530151399
Energy: 1.4679176999644585
Energy: 1.4333329674581383
Energy: 1.4679176999614776
Energy: 1.4333329674581383
Energy: 1.4679176999637136
Energy: 1.4333329674573931
Energy: 1.517466012910028
Energy: 1.2287362839380098
Energy: 1.517466012910773
Energy: 1.2287362839380098
Energy: 1.517466012910773
Energy: 1.228736283938755
Energy: 1.2884256757416828
Energy: 1.3259061646456711
Energy: 1.2884256757379564
Energy: 1.3259061646456711
Energy: 1.288425675739447
Energy: 1.3259061646456711
Energy: 0.9507849703692023
Energy: 1.3377214078621074
Energy: 0.9507849703692023
Energy: 1.3377214078628525
Energy: 0.9507849703692023
Energy: 1.3377214078628525
Energy: 1.0883319371564297
Energy: 1.424205857595407
Energy: 1.0883319371564297
Energy: 1.424205857594662
Energy: 1.0883319371549394
Energy: 1.424205857595407
Energy: 1.4583329626490646
Energy: 1.4704921198091558
Energy: 1.4583329626490646
Energy: 1.4704921198084104
Energy: 1.4583329626498098
Energy: 1.4704921198084104
Energy: 1.140947779366718
Energy: 1.3264489968253956
Energy: 1.140947779366718
Energy: 1.3264489968246502
Energy: 1.1409477793682088
Energy: 1.3264489968253956
Energy: 1.649112187116097
Energy: 1.1076031581844046
Energy: 1.6491121871153516
Energy: 1.1076031581844046
Energy: 1.6491121871153516
Energy: 1.1076031581844046
Energy: 1.3975888159991685
Energy: 1.2482886989119935
Energy: 1.397588815997678
Energy: 1.2482886989119935
Energy: 1.3975888159999137
Energy: 1.2482886989119935
Energy: 1.4619610648744508
Energy: 1.4346159160078322
Energy: 1.4619610648759414
Energy: 1.4346159160085774
Energy: 1.4619610648729602
Energy: 1.4346159160085774
Energy: 0.9675180142332139
Energy: 1.1440276356788208
Energy: 0.9675180142347046
Energy: 1.1440276356870192
Energy: 0.9675180142347046
Energy: 1.1440276356765848
Energy: 1.3158472700139734
Energy: 1.1477123383778187
Energy: 1.3158472700147188
Energy: 1.1477123383755825
Energy: 1.3158472700139734
Energy: 1.1477123383733467
Energy: 0.9490479595046006
Energy: 1.1445145163226367
Energy: 0.94904795950311
Energy: 1.144514516321146
Energy: 0.94904795950311
Energy: 1.1445145163218913
Energy: 1.461722868617497
Energy: 1.4345895957941277
Energy: 1.4617228686182424
Energy: 1.4345895957941277
Energy: 1.461722868617497
Energy: 1.4345895957956183
Energy: 1.397823302179961
Energy: 1.2483230613964629
Energy: 1.3978233021792161
Energy: 1.2483230613972083
Energy: 1.3978233021784705
Energy: 1.2483230613957177
Energy: 1.3948711598183474
Energy: 1.0541276659506948
Energy: 1.3948711598116397
Energy: 1.0541276659506948
Energy: 1.3948711598176022
Energy: 1.0541276659506948
Energy: 1.1414585318217427
Energy: 1.3267431504587597
Energy: 1.141458531822488
Energy: 1.3267431504595049
Energy: 1.1414585318209975
Energy: 1.3267431504572689
Energy: 1.4584187971991887
Energy: 1.4723774272911627
Energy: 1.4584187971984435
Energy: 1.4723774272911627
Energy: 1.4584187971991887
Energy: 1.472377427291908

minimum gb energy = 0.94904795950311 eV
minimum distance =  2.32287577543055 Angstroms
sigma value = 17


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

Energy: 1.3487099215859406
Energy: 0.9812786347153549
Energy: 1.3487099215848866
Energy: 0.9812786347174629
Energy: 1.3487099215869944
Energy: 0.981278634716409
Energy: 1.1734302751269632
Energy: 1.2185304222792508
Energy: 1.1734302751269632
Energy: 1.218530422280305
Energy: 1.173430275125909
Energy: 1.218530422281359
Energy: 1.2784311216820792
Energy: 1.348529875526037
Energy: 1.2784311216831332
Energy: 1.348529875526037
Energy: 1.2784311216820792
Energy: 1.348529875526037
Energy: 1.3079375587774187
Energy: 1.5304577063893408
Energy: 1.3079375587774187
Energy: 1.5304577063914486
Energy: 1.3079375587763646
Energy: 1.5304577063893408
Energy: 1.2601758320225613
Energy: 1.384189110749338
Energy: 1.2601758320225613
Energy: 1.384189110749338
Energy: 1.2601758320215075
Energy: 1.384189110749338
Energy: 1.2217550039098288
Energy: 1.163844728507347
Energy: 1.2217550039098288
Energy: 1.163844728507347
Energy: 1.2217550039098288
Energy: 1.163844728507347
Energy: 1.1861096792597035
Energy: 1.1186982275218313
Energy: 1.1861096792565415
Energy: 1.1186982275218313
Energy: 1.1861096792597035
Energy: 1.1186982275218313
Energy: 1.314737718855252
Energy: 1.4526541127811698
Energy: 1.3147377188541978
Energy: 1.4526541127811698
Energy: 1.3147377188541978
Energy: 1.4526541127811698
Energy: 1.1588333367562345
Energy: 1.38623131524721
Energy: 1.1588333367562345
Energy: 1.38623131524721
Energy: 1.1588333367562345
Energy: 1.38623131524721
Energy: 1.3631123519771058
Energy: 1.2176789764327143
Energy: 1.3631123519771058
Energy: 1.2176789764327143
Energy: 1.3631123519771058
Energy: 1.2176789764337685
Energy: 1.2376377651066865
Energy: 1.1177682099765665
Energy: 1.2376377651056323
Energy: 1.1177682099765665
Energy: 1.2376377651056323
Energy: 1.1177682099776205
Energy: 1.3148454242892709
Energy: 1.3714711739441006
Energy: 1.3148454242861087
Energy: 1.3714711739419925
Energy: 1.3148454242871628
Energy: 1.3714711739419925
Energy: 1.0835038727468125
Energy: 1.3576635273594282
Energy: 1.0835038727457582
Energy: 1.3576635273583744
Energy: 1.0835038727468125
Energy: 1.3576635273583744
Energy: 1.1211016276534052
Energy: 1.1731902245984291
Energy: 1.121101627655513
Energy: 1.1731902245984291
Energy: 1.1211016276565668
Energy: 1.173190224597375
Energy: 1.2138749063739755
Energy: 1.2982256831364247
Energy: 1.2138749063729215
Energy: 1.2982256831374785
Energy: 1.2138749063729215
Energy: 1.2982256831364247
Energy: 1.3363896557004906
Energy: 1.608273421631661
Energy: 1.3363896557004906
Energy: 1.608273421633769
Energy: 1.3363896557004906
Energy: 1.6082734216327152
Energy: 1.0100832120580736
Energy: 1.1864910867708531
Energy: 1.0100832120580736
Energy: 1.186491086769799
Energy: 1.0100832120591274
Energy: 1.1864910867708531

minimum gb energy = 0.9812786347153549 eV
minimum distance =  2.3397057886217 Angstroms
sigma value = 17


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

Energy: 1.231780256792373
Energy: 0.8622926964040942
Energy: 1.2317802567944078
Energy: 0.8622926964032802
Energy: 1.23178025679278
Energy: 0.8622926964012451
Energy: 1.1064352452302266
Energy: 1.0495150906552806
Energy: 1.1064352452322619
Energy: 1.0495150906548736
Energy: 1.1064352452322619
Energy: 1.0495150906556876
Energy: 1.1075360511460506
Energy: 1.0588119764350992
Energy: 1.1075360511468648
Energy: 1.0588119764342852
Energy: 1.1075360511460506
Energy: 1.0588119764346922
Energy: 1.1990709723680297
Energy: 1.0409475373383401
Energy: 1.1990709723631456
Energy: 1.040947537337119
Energy: 1.1990709723651807
Energy: 1.0409475373375259
Energy: 1.3800686280134578
Energy: 1.057126593035651
Energy: 1.380068628013051
Energy: 1.0571265930368718
Energy: 1.3800686280134578
Energy: 1.0571265930312106
Energy: 1.0129107011420242
Energy: 1.1059852451482426
Energy: 1.0129107011416172
Energy: 1.1059852451490564
Energy: 1.0129107011420242
Energy: 1.1059852451474286
Energy: 1.1378225403218651
Energy: 1.0605908020950678
Energy: 1.1378225403218651
Energy: 1.0605908020942536
Energy: 1.1378225403226792
Energy: 1.0605908020954748
Energy: 1.1983688060376751
Energy: 1.3151772501846286
Energy: 1.1983688060380824
Energy: 1.3151772501882546
Energy: 1.1983688060372684
Energy: 1.3151772501850354
Energy: 1.0770805023100576
Energy: 1.3685203659420926
Energy: 1.0770805023068013
Energy: 1.3685203659424998
Energy: 1.0770805023076153
Energy: 1.3685203659420926
Energy: 1.1359034538857418
Energy: 0.9386142669700317
Energy: 1.135903453886556
Energy: 0.9386142669704016
Energy: 1.135903453886149
Energy: 0.9386142669696247
Energy: 1.2009647931174623
Energy: 1.1756330560993482
Energy: 1.2009647931182763
Energy: 1.175633056100569
Energy: 1.2009647931170553
Energy: 1.1756330560993482
Energy: 1.1011233366494801
Energy: 1.2692226393595425
Energy: 1.1011233366494801
Energy: 1.2692226393599495
Energy: 1.1011233366498872
Energy: 1.2692226393591357
Energy: 1.1930783926047919
Energy: 1.0751128437655668
Energy: 1.193078392604385
Energy: 1.0751128437627178
Energy: 1.193078392603571
Energy: 1.0751128437651598
Energy: 1.1818309095946529
Energy: 1.0449848945763274
Energy: 1.1818309095901758
Energy: 1.0449848945763274
Energy: 1.1818309095877335
Energy: 1.0449848945767346
Energy: 1.185892229573575
Energy: 1.3195283116140173
Energy: 1.185892229571947
Energy: 1.3195283116156453
Energy: 1.1858922295731678
Energy: 1.3195283116152383
Energy: 1.0429351157046656
Energy: 1.1826258442481419
Energy: 1.0429351157058868
Energy: 1.1826258442452926
Energy: 1.0429351157038516
Energy: 1.1826258442469206
Energy: 1.3076485079584477
Energy: 0.9850626974551437
Energy: 1.3076485079560056
Energy: 0.9850626974563647
Energy: 1.3076485079568196
Energy: 0.9850626974547367
Energy: 1.2349092104407624
Energy: 1.1672609701941963
Energy: 1.2349092104403552
Energy: 1.1672609701950103
Energy: 1.2349092104407624
Energy: 1.1672609701946033
Energy: 1.1913457644439123
Energy: 1.0544852555048558
Energy: 1.1913457644435055
Energy: 1.054485255506077
Energy: 1.1913457644435055
Energy: 1.0544852555064839
Energy: 1.067560619516796
Energy: 0.9431113631090458
Energy: 1.0675606195172027
Energy: 0.9431113631082317
Energy: 1.0675606195163887
Energy: 0.9431113631078246
Energy: 1.1911689297864345
Energy: 1.147042423482932
Energy: 1.1911689297856205
Energy: 1.1470424234845602
Energy: 1.1911689297856205
Energy: 1.1470424234792687
Energy: 1.2351194781455905
Energy: 1.167123882098985
Energy: 1.2351194781464045
Energy: 1.1671238820993919
Energy: 1.2351194781464045
Energy: 1.1671238820993919
Energy: 1.3083568771306058
Energy: 0.9850726181121159
Energy: 1.3083568771306058
Energy: 0.98507261811293
Energy: 1.3083568771314198
Energy: 0.985072618113337
Energy: 1.0482065451869989
Energy: 1.2221414764371628
Energy: 1.048206545192697
Energy: 1.2221414764379768
Energy: 1.0482065451918827
Energy: 1.2221414764396048
Energy: 1.1870340186197437
Energy: 1.3196408570174853
Energy: 1.1870340186193364
Energy: 1.3196408570252187
Energy: 1.1870340186193364
Energy: 1.3196408570227767
Energy: 1.1826167036197404
Energy: 1.0449729928649312
Energy: 1.1826167036229964
Energy: 1.0449729928657452
Energy: 1.1826167036213684
Energy: 1.0449729928649312
Energy: 1.193273516026286
Energy: 1.09051320692796
Energy: 1.193273516025472
Energy: 1.090513206929181
Energy: 1.193273516026286
Energy: 1.0905132069299952
Energy: 1.1007564363209448
Energy: 1.2688653731109092
Energy: 1.1007564363209448
Energy: 1.268865373107653
Energy: 1.1007564363213518
Energy: 1.26886537310806
Energy: 1.2013698836820101
Energy: 1.1756422765349566
Energy: 1.2013698836836384
Energy: 1.1756422765345498
Energy: 1.20136988367794
Energy: 1.1756422765357706
Energy: 1.1359041078239362
Energy: 0.9387931653669529
Energy: 1.1359041078235292
Energy: 0.9387931653665459
Energy: 1.1359041078239362
Energy: 0.9387931653669529
Energy: 1.0774184609856863
Energy: 1.368792937166672
Energy: 1.0774184609860935
Energy: 1.368792937166672
Energy: 1.0774184609865003
Energy: 1.368792937167079
Energy: 1.1985853684488705
Energy: 1.315153344215715
Energy: 1.1985853684517196
Energy: 1.3151533442165289
Energy: 1.1985853684504986
Energy: 1.315153344216122
Energy: 1.137399637707315
Energy: 1.0611754911347406
Energy: 1.1373996377081292
Energy: 1.0611754911351476
Energy: 1.137399637709757
Energy: 1.0611754911347406
Energy: 1.0130088370351351
Energy: 0.8536339166995123
Energy: 1.0130088370363564
Energy: 0.853633916691002
Energy: 1.0130088370355423
Energy: 0.853633916693037
Energy: 1.3799592366066356
Energy: 1.0575590656570797
Energy: 1.3799592366066356
Energy: 1.057559065659115
Energy: 1.3799592366070428
Energy: 1.057559065659115
Energy: 1.2016144336406935
Energy: 1.1464838984815615
Energy: 1.2016144336382513
Energy: 1.1464838984774914
Energy: 1.2016144336366232
Energy: 1.1464838984791195
Energy: 1.1075489545926402
Energy: 1.058862482857935
Energy: 1.107548954591826
Energy: 1.058862482856714
Energy: 1.107548954591826
Energy: 1.0588624828624122
Energy: 1.107146780097285
Energy: 1.0496713429299875
Energy: 1.107146780099727
Energy: 1.0496713429312086
Energy: 1.1071467800968777
Energy: 1.0496713429320226
Energy: 1.2317802567976643
Energy: 0.8622926964061294
Energy: 1.231780256794001
Energy: 0.8622926964073504
Energy: 1.231780256795629
Energy: 0.8622926964061294
Energy: 1.106435245233483
Energy: 1.1752012201835804
Energy: 1.106435245233483
Energy: 1.1752012201839872
Energy: 1.1064352452322619
Energy: 1.1752012201843944
Energy: 1.1075360511460506
Energy: 1.0588119764326571
Energy: 1.1075360511464576
Energy: 1.0588119764322501
Energy: 1.1075360511464576
Energy: 1.0588119764334711
Energy: 1.1990709723655875
Energy: 0.9924589501685477
Energy: 1.1990709723631456
Energy: 0.9924589501685477
Energy: 1.1990709723659947
Energy: 0.9924589501661055
Energy: 1.3800686280146792
Energy: 1.0571265930230702
Energy: 1.3800686280146792
Energy: 1.0571265930222562
Energy: 1.380068628014272
Energy: 1.0571265930218494

minimum gb energy = 0.853633916691002 eV
minimum distance =  2.34508287403695 Angstroms
sigma value = 57


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

Energy: 1.123298387743412
Energy: 0.7882037704527258
Energy: 1.1232983877414238
Energy: 0.7882037704573649
Energy: 1.1232983877414238
Energy: 0.7882037704514003
Energy: 0.9963311430503881
Energy: 1.0347063676542219
Energy: 0.9963311430497255
Energy: 1.0347063676555475
Energy: 0.996331143051051
Energy: 1.0347063676542219
Energy: 1.0578053786476331
Energy: 0.9609903592189188
Energy: 1.0578053786476331
Energy: 0.9609903592195816
Energy: 1.0578053786476331
Energy: 0.9609903592156052
Energy: 1.217435391865434
Energy: 0.9243374450641638
Energy: 1.217435391863446
Energy: 0.9243374450608501
Energy: 1.217435391865434
Energy: 0.9243374450615129
Energy: 1.040694376852354
Energy: 1.0538181432175453
Energy: 1.0406943768622947
Energy: 1.0538181432175453
Energy: 1.040694376849703
Energy: 1.0538181432175453
Energy: 0.9544891622237784
Energy: 0.9122783945825363
Energy: 0.9544891622231156
Energy: 0.9122783945792227
Energy: 0.9544891622231156
Energy: 0.9122783945871754
Energy: 1.0907071400861834
Energy: 1.0231025939966742
Energy: 1.0907071400868462
Energy: 1.023102593994686
Energy: 1.0907071400855208
Energy: 1.0231025939960114
Energy: 1.1050471287162371
Energy: 1.1709877025595679
Energy: 1.1050471287149117
Energy: 1.1709877025555917
Energy: 1.1050471287168997
Energy: 1.1709877025582427
Energy: 0.9305743212821623
Energy: 0.9246319190498445
Energy: 0.9305743212821623
Energy: 0.9246319190452055
Energy: 0.9305743212821623
Energy: 0.9246319190465311
Energy: 0.9433712932712446
Energy: 0.9688440416871987
Energy: 0.9433712932699192
Energy: 0.968844041686536
Energy: 0.9433712932712446
Energy: 0.968844041686536
Energy: 1.0495851809858412
Energy: 1.2773361574771345
Energy: 1.0495851809871668
Energy: 1.277336157473881
Energy: 1.0495851809838532
Energy: 1.2773361574732183
Energy: 0.9153954301933269
Energy: 1.1868590328007513
Energy: 0.9153954301933269
Energy: 1.1868590328014141
Energy: 0.9153954301933269
Energy: 1.1868590328007513
Energy: 0.9441207698240146
Energy: 1.039624479843219
Energy: 0.9441207698313047
Energy: 1.039624479842556
Energy: 0.9441207698299792
Energy: 1.039624479843219
Energy: 1.1039743382551122
Energy: 1.143578349145956
Energy: 1.1039743382551122
Energy: 1.143578349145956
Energy: 1.1039743382537868
Energy: 1.1435783491492695
Energy: 0.9588979729215782
Energy: 1.1429970606448066
Energy: 0.958897972922241
Energy: 1.1429970606454694
Energy: 0.9588979729202528
Energy: 1.142997060646132
Energy: 1.047040748470267
Energy: 1.0446526936649272
Energy: 1.0470407484715925
Energy: 1.044652693662939
Energy: 1.047040748470267
Energy: 1.0446526936682405
Energy: 1.089119549291913
Energy: 0.9554511114554782
Energy: 1.089119549291913
Energy: 0.9554511114548156
Energy: 1.0891195492925758
Energy: 0.955451111456141
Energy: 1.2283094530059173
Energy: 1.147445732487598
Energy: 1.2283094530065801
Energy: 1.1474457324796454
Energy: 1.2283094530059173
Energy: 1.147445732482959
Energy: 0.9738459264362026
Energy: 1.0556514231268608
Energy: 0.9738459264368652
Energy: 1.0556514231248728
Energy: 0.973845926437528
Energy: 1.0556514231255354
Energy: 1.1890659958763785
Energy: 0.9568391414600114
Energy: 1.189065995877041
Energy: 0.9568391414593487
Energy: 1.189065995875716
Energy: 0.9568391414600114
Energy: 1.0536791648577355
Energy: 1.1754034056253755
Energy: 1.0536791648530963
Energy: 1.1754034056267009
Energy: 1.0536791648537591
Energy: 1.1754034056267009
Energy: 0.8971094478200706
Energy: 0.9863001827162036
Energy: 0.8971094478220587
Energy: 0.9863001827095763
Energy: 0.8971094478207332
Energy: 0.9863001827115644
Energy: 0.9940614104222157
Energy: 0.9009120470839588
Energy: 0.9940614104242039
Energy: 0.900912047083296
Energy: 0.9940614104235413
Energy: 0.900912047083296
Energy: 1.0115421284409494
Energy: 1.2221657974435813
Energy: 1.0115421284422748
Energy: 1.2221657974429185
Energy: 1.0115421284409494
Energy: 1.222165797442256
Energy: 1.22848375989009
Energy: 1.132397862844314
Energy: 1.2284837598894272
Energy: 1.1323978628449767
Energy: 1.22848375989009
Energy: 1.1323978628449767
Energy: 1.3478805628813746
Energy: 0.8915026685874665
Energy: 1.3478805628807118
Energy: 0.8915026685887918
Energy: 1.3478805628807118
Energy: 0.8915026685887918
Energy: 0.8988923932624958
Energy: 1.128619495583252
Energy: 0.8988923932605075
Energy: 1.1286194955825894
Energy: 0.8988923932598449
Energy: 1.1286194955825894

minimum gb energy = 0.7882037704514003 eV
minimum distance =  2.35313876259363 Angstroms
sigma value = 43


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

Energy: 1.0625124230048584
Energy: 0.7213600161863228
Energy: 1.06251242300341
Energy: 0.7213600161877713
Energy: 1.0625124230024443
Energy: 0.7213600161882543
Energy: 1.008897236644925
Energy: 0.9065850403074637
Energy: 1.0088972366497537
Energy: 0.906585040306498
Energy: 1.0088972366507194
Energy: 0.906585040306015
Energy: 0.9023484814800947
Energy: 0.9073833110091087
Energy: 0.9023484814796119
Energy: 0.907383311008626
Energy: 0.9023484814810605
Energy: 0.907383311008626
Energy: 1.049980462960678
Energy: 0.8513396356547471
Energy: 1.0499804629597123
Energy: 0.8513396356537815
Energy: 1.0499804629592293
Energy: 0.8513396356576443
Energy: 0.9566264733443287
Energy: 0.8214587955646766
Energy: 0.9566264733448114
Energy: 0.8214587955675737
Energy: 0.9566264733438458
Energy: 0.8214587955661252
Energy: 0.8145480980761998
Energy: 0.9355916908398794
Energy: 0.8145480980766826
Energy: 0.9355916908403623
Energy: 0.8145480980761998
Energy: 0.9355916908403623
Energy: 0.9792519424256931
Energy: 0.8606025636947344
Energy: 0.9792519424204255
Energy: 0.8606025636932858
Energy: 0.9792519424247274
Energy: 0.8606025636923201
Energy: 1.15845190401415
Energy: 1.0016531672136613
Energy: 1.15845190401415
Energy: 1.0016531672136613
Energy: 1.1584519040136672
Energy: 1.0016531672136613
Energy: 0.7598695420694476
Energy: 0.8306362725260126
Energy: 0.7598695420699305
Energy: 0.8306362725255299
Energy: 0.7598695420694476
Energy: 0.830636272524564
Energy: 1.0936638800014773
Energy: 0.8160972399618058
Energy: 1.093663880002926
Energy: 0.8160972399608402
Energy: 1.093663880002443
Energy: 0.8160972399593915
Energy: 1.1019058600764438
Energy: 1.0310636250856382
Energy: 1.1019058600769267
Energy: 1.0310636250851553
Energy: 1.1019058600769267
Energy: 1.0310636250851553
Energy: 0.8360819563107368
Energy: 0.8995460856479208
Energy: 0.8360819563112196
Energy: 0.8995460856464722
Energy: 0.8360819563117026
Energy: 0.8995460856464722
Energy: 0.8994560760902407
Energy: 0.7674704798478295
Energy: 0.8994560760887921
Energy: 0.7674704798468637
Energy: 0.8994560760931379
Energy: 0.7674704798473466
Energy: 0.9141373284611168
Energy: 0.8888606434542777
Energy: 0.9141373284611168
Energy: 0.8888606434523462
Energy: 0.9141373284606341
Energy: 0.8888606434533121
Energy: 0.819058159182251
Energy: 1.029620730349693
Energy: 0.8190581591808023
Energy: 1.0296207303492102
Energy: 0.8190581591812852
Energy: 1.029620730349693
Energy: 0.9182187666574373
Energy: 0.8196052343375598
Energy: 0.91821876665792
Energy: 0.8196052343365942
Energy: 0.9182187666569543
Energy: 0.819605234337077
Energy: 1.0393163775169507
Energy: 0.8857914354765095
Energy: 1.0393163775159848
Energy: 0.8857914354789237
Energy: 1.0393163775164678
Energy: 0.8857914354769922
Energy: 0.762472862487907
Energy: 0.9761801548113287
Energy: 0.7624728624888728
Energy: 0.9761801548108457
Energy: 0.7624728624883899
Energy: 0.9761801548108457
Energy: 0.8868444406104261
Energy: 0.8927138174886945
Energy: 0.886844440607529
Energy: 0.8927138174886945
Energy: 0.8868444406099433
Energy: 0.8927138174891772
Energy: 1.0625185510166368
Energy: 0.9502929698806988
Energy: 1.0625185510151882
Energy: 0.9502929698802159
Energy: 1.0625185510171196
Energy: 0.9502929698811816
Energy: 0.8120166590487513
Energy: 1.059543652195244
Energy: 0.8120166590468197
Energy: 1.0595436522116615
Energy: 0.8120166590501999
Energy: 1.05954365221311
Energy: 0.9643913520548693
Energy: 0.8829569590369936
Energy: 0.9643913520548693
Energy: 0.8829569590394081
Energy: 0.9643913520524549
Energy: 0.8829569590413393
Energy: 0.9822971884846289
Energy: 0.8187007477777393
Energy: 0.9822971884807659
Energy: 0.8187007477791879
Energy: 0.982297188473523
Energy: 0.8187007477806364
Energy: 0.9135126105536288
Energy: 0.9613812891735498
Energy: 0.9135126105570089
Energy: 0.9613812891899672
Energy: 0.9135126105545945
Energy: 0.9613812891759642
Energy: 0.8688680354792319
Energy: 0.794902796407101
Energy: 0.8688680354797148
Energy: 0.7949027964080667
Energy: 0.8688680354792319
Energy: 0.794902796407101
Energy: 0.869695633479299
Energy: 0.8303556875080162
Energy: 0.869695633479299
Energy: 0.8303556875065676
Energy: 0.8696956334773676
Energy: 0.830355687505602
Energy: 0.8525389180292235
Energy: 0.9209124800434797
Energy: 0.852538918031638
Energy: 0.9209124800434797
Energy: 0.852538918035018
Energy: 0.9209124800425139
Energy: 0.7661920632690958
Energy: 0.9643884572429142
Energy: 0.7661920632700615
Energy: 0.9643884572443628
Energy: 0.7661920632744073
Energy: 0.9643884572429142
Energy: 0.861186592991847
Energy: 0.7626243230322719
Energy: 0.8611865929923299
Energy: 0.7626243230317891
Energy: 0.8611865929923299
Energy: 0.7626243230313062
Energy: 0.8180164234905521
Energy: 0.8989173865811262
Energy: 0.818016423491035
Energy: 0.8989173865825746
Energy: 0.8180164234915179
Energy: 0.8989173865806432
Energy: 0.7601616219604145
Energy: 0.9779791498321324
Energy: 0.7601616219613803
Energy: 0.9779791498316498
Energy: 0.7644469294876782
Energy: 0.9779791498321324
Energy: 0.7822904645065288
Energy: 0.7119624884628519
Energy: 0.7822904645084603
Energy: 0.7119624884618861
Energy: 0.782290464505563
Energy: 0.7119624884623691
Energy: 0.7746826553206101
Energy: 1.0116136186567017
Energy: 0.7746826553191615
Energy: 1.011613618656219
Energy: 0.7746826553210929
Energy: 1.0116136186567017
Energy: 1.0033174760871297
Energy: 0.8798600219229199
Energy: 1.0033174760871297
Energy: 0.8798600219243685
Energy: 1.003317476086647
Energy: 0.8798600219229199
Energy: 0.7949922044903498
Energy: 0.7458467830204728
Energy: 0.7949922045024214
Energy: 0.7458467830209556
Energy: 0.7949922044898668
Energy: 0.7458467830204728
Energy: 0.696470736274599
Energy: 0.8280273449416364
Energy: 0.6964707362755647
Energy: 0.8280273449406705
Energy: 0.6964707362760476
Energy: 0.8280273449387392

minimum gb energy = 0.696470736274599 eV
minimum distance =  2.36485736257605 Angstroms
sigma value = 81


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

Energy: 0.007292435291077393
Energy: 0.04641365712224271
Energy: 0.007292435291077393
Energy: 0.046413657120468556
Energy: 0.007292435291077393
Energy: 0.04641365712224271
Energy: 0.8192767212648543
Energy: 0.12359072457205399
Energy: 0.8192767212648543
Energy: 0.12359072457205399
Energy: 0.8192767212666286
Energy: 0.12359072457205399
Energy: 0.8192747854327258
Energy: 0.12378638705071984
Energy: 0.8192747854327258
Energy: 0.12378638705071984
Energy: 0.8192747854327258
Energy: 0.12378638705249399
Energy: 0.007292435292851549
Energy: 0.04641365712224271
Energy: 0.007292435292851549
Energy: 0.04641365712224271
Energy: 0.007292435292851549
Energy: 0.04641365712224271
Energy: 0.8192767212666286
Energy: 0.12359072457205399
Energy: 0.8192767212666286
Energy: 0.12359072457205399
Energy: 0.8192767212630802
Energy: 0.12359072457205399
Energy: 0.8192747854327258
Energy: 0.12378638705071984
Energy: 0.8192747854309517
Energy: 0.12378638705071984
Energy: 0.8192747854327258
Energy: 0.12378638705249399
Energy: 0.007292435291077393
Energy: 0.04641365712224271
Energy: 0.007292435291077393
Energy: 0.046413657120468556
Energy: 0.007292435291077393
Energy: 0.04641365712224271
Energy: 0.8192767212666286
Energy: 0.12359072457205399
Energy: 0.8192767212630802
Energy: 0.12359072457205399
Energy: 0.8192767212648543
Energy: 0.12359072457205399
Energy: 0.8192747854309517
Energy: 0.12378638705071984
Energy: 0.8192747854344999
Energy: 0.12378638705071984
Energy: 0.8192747854327258
Energy: 0.12378638705071984
Energy: 0.007292435291077393
Energy: 0.04641365712224271
Energy: 0.007292435291077393
Energy: 0.046413657120468556
Energy: 0.007292435291077393
Energy: 0.04641365712224271

minimum gb energy = 0.007292435291077393 eV
minimum distance =  2.53029286158591 Angstroms
sigma value = 3


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

Energy: 0.8332085092806897
Energy: 0.8365584487763243
Energy: 0.8332085092817515
Energy: 0.8365584487768554
Energy: 0.8332085092812205
Energy: 0.8365584487816335
Energy: 0.6840248850508076
Energy: 0.8511419040040183
Energy: 0.684024885048684
Energy: 0.8511419040040183
Energy: 0.684024885048684
Energy: 0.8511419040029564
Energy: 0.8161528180058607
Energy: 0.8478354450648974
Energy: 0.8142164993117442
Energy: 0.8478354450638353
Energy: 0.8142164993138679
Energy: 0.8478354450643665
Energy: 0.730750292395578
Energy: 0.8286639763475746
Energy: 0.7307502923897379
Energy: 0.8286639763475746
Energy: 0.730750292395578
Energy: 0.828663976350181
Energy: 0.815203389080102
Energy: 0.9390582014731768
Energy: 0.8152033890806328
Energy: 0.9390582014726458
Energy: 0.815203389080102
Energy: 0.9390582014737079
Energy: 0.8518054338363192
Energy: 0.9169520830034689
Energy: 0.8518054338352574
Energy: 0.9169520830045307
Energy: 0.8518054338347266
Energy: 0.9169520830050616
Energy: 0.7706304058358937
Energy: 0.8089901920191066
Energy: 0.7706304058364247
Energy: 0.8089901920196376
Energy: 0.7706304058369557
Energy: 0.8089901920191066
Energy: 0.8281035481376186
Energy: 0.8279682207878363
Energy: 0.8281035481381495
Energy: 0.8279682207835889
Energy: 0.8281035481381495
Energy: 0.8279682207862435
Energy: 0.8589061063644935
Energy: 0.8461212110934425
Energy: 0.8589061063644935
Energy: 0.8461212110945043
Energy: 0.8589061063655553
Energy: 0.8461212110955662
Energy: 0.7852251001859392
Energy: 0.743311115247861
Energy: 0.7852251001854083
Energy: 0.7433111152473301
Energy: 0.7852251001885455
Energy: 0.743311115247861
Energy: 0.7964271669848202
Energy: 0.8122563181998224
Energy: 0.7964271669837583
Energy: 0.8122563181961059
Energy: 0.7964271669853511
Energy: 0.8122563181961059
Energy: 0.9010641350385429
Energy: 0.8765074478560634
Energy: 0.9010641350390737
Energy: 0.8765074478560634
Energy: 0.9010641350385429
Energy: 0.8765074478555324
Energy: 0.9583574060177911
Energy: 0.7469353248802928
Energy: 0.9583574060177911
Energy: 0.7469353248808237
Energy: 0.9583574060161982
Energy: 0.7469353248813546
Energy: 0.7524700619706441
Energy: 0.7375214994765742
Energy: 0.7524700619743605
Energy: 0.7375214994755124
Energy: 0.7524700619738297
Energy: 0.7375214994733886
Energy: 0.8239271291254648
Energy: 0.8740291872978024
Energy: 0.823927129123872
Energy: 0.8740291872962097
Energy: 0.823927129123872
Energy: 0.8740291872956789
Energy: 0.9454225322159162
Energy: 0.80340449434533
Energy: 0.9454225322159162
Energy: 0.8034044943458609
Energy: 0.945422532216978
Energy: 0.8034044943458609
Energy: 0.9572632629468777
Energy: 0.7706641184622078
Energy: 0.9572632629463468
Energy: 0.7706641184653934
Energy: 0.9572632629463468
Energy: 0.7706641184648624
Energy: 0.857116539898861
Energy: 0.7761874868263537
Energy: 0.8571165398999229
Energy: 0.7761874868279466
Energy: 0.8571165398983301
Energy: 0.7761874868263537
Energy: 0.8457521907660182
Energy: 0.8927405356267257
Energy: 0.8457521907665492
Energy: 0.892740535624602
Energy: 0.8457521907665492
Energy: 0.8927405356299112
Energy: 0.9734743427885765
Energy: 0.7705123205769294
Energy: 0.9734743427880456
Energy: 0.7705123205281329
Energy: 0.9734743427885765
Energy: 0.7705123207090806
Energy: 0.7867068949081659
Energy: 0.8026889991964348
Energy: 0.7867068949102415
Energy: 0.8026889991948423
Energy: 0.7867068949065732
Energy: 0.802688999195373
Energy: 0.8917349921672989
Energy: 0.876361412636393
Energy: 0.8917349921699536
Energy: 0.8763614126374548
Energy: 0.8917349921667679
Energy: 0.876361412636393
Energy: 0.844834759286729
Energy: 0.8967892160815911
Energy: 0.8448347592877908
Energy: 0.8967892160088548
Energy: 0.8448347592861981
Energy: 0.896789216027968
Energy: 0.8545463193231696
Energy: 0.6880336045899599
Energy: 0.8545463193221078
Energy: 0.6880336045920835
Energy: 0.8545463193231696
Energy: 0.6880336045920835
Energy: 0.8681820369278781
Energy: 0.8474839419677378
Energy: 0.8681820369273471
Energy: 0.8474839419672069
Energy: 0.8681820369278781
Energy: 0.8474839419672069
Energy: 0.7097750979080313
Energy: 0.8617686247972636
Energy: 0.7097750979075003
Energy: 0.8617686247983254
Energy: 0.7097750979080313
Energy: 0.8617686247977946
Energy: 0.9555297826747251
Energy: 0.8984815644909492
Energy: 0.9555297826736633
Energy: 0.8984815644925419
Energy: 0.9555297826741942
Energy: 0.8984815644909492
Energy: 0.7547162302062366
Energy: 0.8487817502372453
Energy: 0.7547162302094221
Energy: 0.8487817502377764
Energy: 0.7547162302072984
Energy: 0.8487817502367145
Energy: 0.6561701713331674
Energy: 0.9622931039536876
Energy: 0.6561701713331674
Energy: 0.962293103952095
Energy: 0.6561701713326364
Energy: 0.962293103952095
Energy: 0.8198626326105198
Energy: 0.9036615217898482
Energy: 0.819862632609458
Energy: 0.9036615217898482
Energy: 0.819862632609458
Energy: 0.9036615217898482
Energy: 0.6847570952098914
Energy: 0.8540139199195816
Energy: 0.6847570952146697
Energy: 0.8540139199195816
Energy: 0.6847570952098914
Energy: 0.8540139199179888
Energy: 0.7286322369810153
Energy: 0.9174994641587131
Energy: 0.7286322369799535
Energy: 0.9174994641592441
Energy: 0.7286322369799535
Energy: 0.9174994641581822
Energy: 0.7272875651877457
Energy: 0.9710869885521057
Energy: 0.7272875651888077
Energy: 0.9710869885526368
Energy: 0.7272875651877457
Energy: 0.9710869885526368

minimum gb energy = 0.6561701713326364 eV
minimum distance =  2.37716030057447 Angstroms
sigma value = 67


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

Energy: 0.8741700727276853
Energy: 1.152053399750096
Energy: 0.87417007273752
Energy: 1.152053399750096
Energy: 0.8741700727473545
Energy: 1.152053399750096
Energy: 0.8798670204580371
Energy: 1.0432999792232744
Energy: 0.8798670204640892
Energy: 1.0432999792217614
Energy: 0.8798670204663587
Energy: 1.0432999792232744
Energy: 0.9884951971687669
Energy: 1.0452400803716093
Energy: 0.9884951971627148
Energy: 1.0452400803723658
Energy: 0.9884951971634715
Energy: 1.0452400803716093
Energy: 1.0575851608798996
Energy: 0.9465229851913534
Energy: 1.05758516087763
Energy: 0.9465229851905967
Energy: 1.0575851608798996
Energy: 0.9465229851905967
Energy: 1.0075432781688756
Energy: 0.9381006723605049
Energy: 1.0075432781688756
Energy: 0.9381006723620178
Energy: 1.0075432781681188
Energy: 0.9381006723605049
Energy: 1.0616652219640381
Energy: 1.038434695165284
Energy: 1.0616652219640381
Energy: 1.0384346951660406
Energy: 1.0616652219640381
Energy: 1.038434695165284
Energy: 0.9672091668471368
Energy: 1.003372511828818
Energy: 0.9672091668471368
Energy: 1.0033725118280616
Energy: 0.9672091668463803
Energy: 1.0033725118280616
Energy: 1.0683969273173337
Energy: 0.9813732444853032
Energy: 1.0683969273218727
Energy: 0.9813732444890856
Energy: 1.0683969273180902
Energy: 0.9813732444868162
Energy: 1.0645244819371746
Energy: 1.002062472880684
Energy: 1.0645244819379311
Energy: 1.0020624728784144
Energy: 1.0645244819371746
Energy: 1.0020624728799277
Energy: 1.0555301039670208
Energy: 1.025505656955232
Energy: 1.0555301039662643
Energy: 1.025505656955232
Energy: 1.0555301039662643
Energy: 1.0255056569559888
Energy: 1.1599100214586016
Energy: 0.9110706381239126
Energy: 1.159910021459358
Energy: 0.9110706381223997
Energy: 1.159910021459358
Energy: 0.9110706381216432
Energy: 1.0147396670574393
Energy: 0.9814432957437893
Energy: 1.0147396670566826
Energy: 0.9814432957422764
Energy: 1.0147396670581956
Energy: 0.9814432957415199
Energy: 1.0205603921554143
Energy: 0.9260028287878067
Energy: 1.0205603921561706
Energy: 0.9260028287832678
Energy: 1.0205603921554143
Energy: 0.9260028287855372
Energy: 1.1965948405085
Energy: 0.8835550682875507
Energy: 1.1965948405085
Energy: 0.8835550682867944
Energy: 1.1965948405085
Energy: 0.8835550682822553
Energy: 1.022236071775424
Energy: 0.8738189462722957
Energy: 1.022236071775424
Energy: 0.8738189462745652
Energy: 1.022236071775424
Energy: 0.8738189462745652
Energy: 0.9609013094556322
Energy: 1.0410988414690765
Energy: 0.9609013094563889
Energy: 1.0410988414675635
Energy: 0.9609013094556322
Energy: 1.0410988414683202
Energy: 1.0536952826114574
Energy: 0.9576428827956822
Energy: 1.0536952826114574
Energy: 0.9576428827941693
Energy: 1.0536952826114574
Energy: 0.9576428827956822
Energy: 1.001005847918816
Energy: 0.8693717078217184
Energy: 1.001005847918816
Energy: 0.8693717078224749
Energy: 1.001005847917303
Energy: 0.8693717078224749
Energy: 0.9220750434611612
Energy: 1.0801945161105508
Energy: 0.9220750434611612
Energy: 1.0801945161113076
Energy: 0.9220750434596481
Energy: 1.0801945161120639
Energy: 1.0808745986558754
Energy: 1.17099949821443
Energy: 1.080874598655119
Energy: 1.1709994982151868
Energy: 1.0808745986558754
Energy: 1.1709994982159433
Energy: 1.092880110536164
Energy: 1.0350509095737315
Energy: 1.0928801105338948
Energy: 1.0350509095729752
Energy: 1.0928801105369206
Energy: 1.0350509095737315
Energy: 0.9591823042067213
Energy: 1.0999580361930792
Energy: 0.9591823042044517
Energy: 1.0999580361945922
Energy: 0.9591823042105038
Energy: 1.0999580361945922
Energy: 0.9364560211927493
Energy: 1.1769084433118089
Energy: 0.9364560211919928
Energy: 1.1769084433118089
Energy: 0.9364560211912362
Energy: 1.1769084433110528

minimum gb energy = 0.8693717078217184 eV
minimum distance =  2.37769315678198 Angstroms
sigma value = 33


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

Energy: 1.0864075395761277
Energy: 1.2752448983268057
Energy: 1.086407539574688
Energy: 1.2752448983272855
Energy: 1.0864075395756478
Energy: 1.2752448983263256
Energy: 1.0086325396653752
Energy: 1.170519592670923
Energy: 1.008632539665855
Energy: 1.1705195926714032
Energy: 1.0086325396581766
Energy: 1.1705195926714032
Energy: 1.1789135272625948
Energy: 1.1705505820399058
Energy: 1.1789135272616351
Energy: 1.1705505820399058
Energy: 1.1789135272625948
Energy: 1.1705505820399058
Energy: 1.255532152161348
Energy: 1.074825165092198
Energy: 1.2555321521603884
Energy: 1.074825165092198
Energy: 1.2555321521608682
Energy: 1.074825165092198
Energy: 1.2276392242990464
Energy: 1.2884868938926608
Energy: 1.2276392242985663
Energy: 1.2884868938931409
Energy: 1.2276392242985663
Energy: 1.2884868938926608
Energy: 1.3043409443378051
Energy: 1.2290432603517247
Energy: 1.3043409443368452
Energy: 1.1318499438867704
Energy: 1.3043409443368452
Energy: 1.1318499438882101
Energy: 1.1981739249659218
Energy: 1.1576327424068442
Energy: 1.1981739249654417
Energy: 1.1576327424078041
Energy: 1.1981739249654417
Energy: 1.1576327424068442
Energy: 1.229953289184019
Energy: 0.9122496425151823
Energy: 1.2299532891859386
Energy: 0.9122496425147023
Energy: 1.2299532891854588
Energy: 0.9122496425171019
Energy: 1.0376572599527836
Energy: 1.0887845235332168
Energy: 1.0376572599532636
Energy: 1.088784523531777
Energy: 1.0376572599532636
Energy: 1.0887845235332168
Energy: 1.272872216045174
Energy: 1.1253699286635788
Energy: 1.2728722160442139
Energy: 1.1253699286640584
Energy: 1.2728722160427741
Energy: 1.1253699286640584
Energy: 1.1401033934706286
Energy: 1.104823812919899
Energy: 1.1401033934711085
Energy: 1.1048238129194192
Energy: 1.1401033934706286
Energy: 1.1048238129194192
Energy: 1.036913047487614
Energy: 0.9723304738439129
Energy: 1.0369130474880939
Energy: 0.972330473843433
Energy: 1.0369130474880939
Energy: 0.9723304738395937
Energy: 1.1167808218306068
Energy: 1.175128592632178
Energy: 1.116780821833966
Energy: 1.175128592632178
Energy: 1.1167808218277273
Energy: 1.1751285926331378
Energy: 1.17879501776602
Energy: 1.0566513469425676
Energy: 1.17879501776554
Energy: 1.0566513469425676
Energy: 1.17879501776602
Energy: 1.0566513469430474
Energy: 1.0624140067584449
Energy: 1.1507639473341078
Energy: 1.0624140067598846
Energy: 1.1507639473341078
Energy: 1.0624140067584449
Energy: 1.1507639473345876
Energy: 1.0943615575901293
Energy: 1.2435329429320734
Energy: 1.094361557590609
Energy: 1.2435329429320734
Energy: 1.094361557590609
Energy: 1.2435329429315938
Energy: 1.1818527133291556
Energy: 1.2114515049074928
Energy: 1.1818527133296355
Energy: 1.2114515049079728
Energy: 1.1818527133296355
Energy: 1.2114515049065333
Energy: 1.1718091979164513
Energy: 1.2290437887364785
Energy: 1.1718091979174112
Energy: 1.2290437887383983
Energy: 1.1718091979169314
Energy: 1.2290437887383983
Energy: 1.0192799921920315
Energy: 1.4055045096400907
Energy: 1.0192799921915516
Energy: 1.405504509638651
Energy: 1.0192799921920315
Energy: 1.4055045096391308
Energy: 1.1755272792009688
Energy: 1.102928374793947
Energy: 1.1755272792004887
Energy: 1.1029283747944267
Energy: 1.1755272792014484
Energy: 1.102928374793947
Energy: 1.20678419909574
Energy: 1.2484186483833961
Energy: 1.2067841990966997
Energy: 1.248418648384356
Energy: 1.2067841990962198
Energy: 1.2484186483838762
Energy: 1.0901378663951604
Energy: 0.9507424066163584
Energy: 1.090137866390841
Energy: 0.9507424066125192
Energy: 1.0901378663989996
Energy: 0.9507424065995616
Energy: 1.3489866791313536
Energy: 1.0959738168025017
Energy: 1.3489866791318332
Energy: 1.0959738168015418
Energy: 1.3489866791313536
Energy: 1.0959738168044215
Energy: 1.2247506338148102
Energy: 1.07863596634005
Energy: 1.2247506338148102
Energy: 1.0786359663443692
Energy: 1.2247506338143301
Energy: 1.0786359663438891
Energy: 1.0360769227750497
Energy: 1.0474445754113473
Energy: 1.0360769227750497
Energy: 1.0474445754103876
Energy: 1.0360769227750497
Energy: 1.0474445754103876
Energy: 1.134981013999197
Energy: 1.1530136471060712
Energy: 1.134981013999197
Energy: 1.153013647106551
Energy: 1.134981013999197
Energy: 1.1530136471079908
Energy: 1.1775686698845922
Energy: 1.02263991733556
Energy: 1.1775686698850723
Energy: 1.0226399173350802
Energy: 1.1775686698826726
Energy: 1.02263991733556
Energy: 1.2053390064450953
Energy: 1.2639619723012747
Energy: 1.2053390064503307
Energy: 1.2639619723017546
Energy: 1.2053390064479312
Energy: 1.2639619723022344
Energy: 1.3371127114897001
Energy: 1.194725915998775
Energy: 1.3371127114897001
Energy: 1.1947259159997348
Energy: 1.3371127114897001
Energy: 1.194725915999255
Energy: 1.0608521445241033
Energy: 1.1963110747924275
Energy: 1.0608521445250632
Energy: 1.1963110747909877
Energy: 1.060852144526023
Energy: 1.196311074792907
Energy: 1.3057599463082559
Energy: 1.2370710286196285
Energy: 1.3057599463082559
Energy: 1.2370710286196285
Energy: 1.3057599463082559
Energy: 1.2370710286196285
Energy: 1.204883565541939
Energy: 1.2115759747261539
Energy: 1.2048835655409793
Energy: 1.2115759747251942
Energy: 1.204883565541939
Energy: 1.2115759747237544
Energy: 1.0516926458032445
Energy: 1.3773584984764375
Energy: 1.0516926458027647
Energy: 1.3773584984764375
Energy: 1.0516926458032445
Energy: 1.3773584984754776
Energy: 1.0616806079288668
Energy: 1.170026633956156
Energy: 1.0616806079264671
Energy: 1.170026633956156
Energy: 1.0616806079279066
Energy: 1.170026633956156
Energy: 1.1470552947546953
Energy: 1.17141134581575
Energy: 1.1470552947542154
Energy: 1.1714113458162299
Energy: 1.147055294755175
Energy: 1.17141134581671
Energy: 1.1978131909711807
Energy: 1.295110498706131
Energy: 1.1978131909707006
Energy: 1.295110498706131
Energy: 1.1978131909716605
Energy: 1.295110498706131
Energy: 1.0118655487041333
Energy: 0.9989302602213296
Energy: 1.011865548704613
Energy: 0.9989302602218095
Energy: 1.0118655487041333
Energy: 0.9989302602208497

minimum gb energy = 0.9122496425147023 eV
minimum distance =  2.3558060822828 Angstroms
sigma value = 41


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

Energy: 1.11699169186658
Energy: 1.2458010059815525
Energy: 1.1169916918678906
Energy: 1.2458010059815525
Energy: 1.11699169186658
Energy: 1.2458010059828628
Energy: 1.3735403421369683
Energy: 1.2447159555572136
Energy: 1.3735403421369683
Energy: 1.2447159555572136
Energy: 1.373540342135658
Energy: 1.2447159555572136
Energy: 1.4319520605169218
Energy: 1.24569030746444
Energy: 1.4159212081440227
Energy: 1.2456903074657502
Energy: 1.4159212081427124
Energy: 1.2456903074657502
Energy: 1.3361523937805604
Energy: 1.4482173988608826
Energy: 1.3361523937818707
Energy: 1.4482173988608826
Energy: 1.3361523937818707
Energy: 1.448217398862193
Energy: 1.3446501318372923
Energy: 1.2422856448505288
Energy: 1.3446501318386026
Energy: 1.2422856448505288
Energy: 1.3446501318372923
Energy: 1.2422856448518393
Energy: 1.4782915059474018
Energy: 1.2598207431848174
Energy: 1.4782915059487123
Energy: 1.2598207431821968
Energy: 1.4782915059487123
Energy: 1.2598207431821968
Energy: 1.331732377747702
Energy: 1.3254048762915585
Energy: 1.331732377747702
Energy: 1.3254048762928685
Energy: 1.3317323777463916
Energy: 1.3254048762928685
Energy: 1.5877674805491615
Energy: 1.2665046953915546
Energy: 1.5877674805504718
Energy: 1.266504695392865
Energy: 1.5877674805491615
Energy: 1.266504695392865
Energy: 1.196515071402555
Energy: 1.140678008553488
Energy: 1.196515071402555
Energy: 1.140678008553488
Energy: 1.1965150714012447
Energy: 1.140678008553488
Energy: 1.292750927522717
Energy: 1.2527274054657818
Energy: 1.2927509275240272
Energy: 1.2527274054657818
Energy: 1.292750927522717
Energy: 1.2527274054670923
Energy: 1.349685936373955
Energy: 1.2457189699741966
Energy: 1.3496859363726448
Energy: 1.2457189699728863
Energy: 1.349685936373955
Energy: 1.2457189699741966
Energy: 1.2823919692003454
Energy: 1.244779478817498
Energy: 1.2823919692016557
Energy: 1.2447794788188085
Energy: 1.2823919692016557
Energy: 1.2447794788188085
Energy: 1.2084140516579935
Energy: 1.440585171807685
Energy: 1.2084140516566835
Energy: 1.4405851718063747
Energy: 1.2084140516553732
Energy: 1.440585171807685
Energy: 1.5255998547079175
Energy: 1.2945617206992004
Energy: 1.5255998547066072
Energy: 1.2945617206992004
Energy: 1.5255998547066072
Energy: 1.2945617206992004

minimum gb energy = 1.11699169186658 eV
minimum distance =  2.33961982768813 Angstroms
sigma value = 11


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

Energy: 1.7284149292880393
Energy: 1.542937519985548
Energy: 1.728414929288615
Energy: 1.542937519985548
Energy: 1.728414929288615
Energy: 1.542937519985548
Energy: 1.6338224233471734
Energy: 1.5589089305847688
Energy: 1.6338224233471734
Energy: 1.5589089305847688
Energy: 1.6338224233460223
Energy: 1.5589089305847688
Energy: 1.4726412377129117
Energy: 1.5074617338913279
Energy: 1.4726412377140627
Energy: 1.5074617338901768
Energy: 1.4726412377140627
Energy: 1.5074617338907523
Energy: 1.5853541731114804
Energy: 1.3040053104768763
Energy: 1.5853541731120562
Energy: 1.3040053104763005
Energy: 1.5853541731120562
Energy: 1.3040053104757248
Energy: 1.615702550318744
Energy: 1.4713446755822308
Energy: 1.6157025503181683
Energy: 1.4713446755822308
Energy: 1.615702550318744
Energy: 1.4713446755822308
Energy: 1.5277760096120054
Energy: 1.4794934599529925
Energy: 1.5277760096120054
Energy: 1.4794934599512657
Energy: 1.5277760096114297
Energy: 1.4794934599529925
Energy: 1.6606961681439227
Energy: 1.4025440526701383
Energy: 1.6606961681433474
Energy: 1.4025440526695627
Energy: 1.6606961681439227
Energy: 1.4025440526701383
Energy: 1.5220178470124979
Energy: 1.497353069580049
Energy: 1.5220178470124979
Energy: 1.4973530695788977
Energy: 1.5220178470124979
Energy: 1.4973530695794737
Energy: 1.4934404440665645
Energy: 1.4991336350817641
Energy: 1.4934404440682916
Energy: 1.4991336350811886
Energy: 1.49344044406714
Energy: 1.4991336350811886
Energy: 1.5074031666890608
Energy: 1.4875049446500437
Energy: 1.5074031666890608
Energy: 1.4875049446500437
Energy: 1.5074031666890608
Energy: 1.487504944649468
Energy: 1.3795670093111185
Energy: 1.5399092199626887
Energy: 1.3795670093105432
Energy: 1.5399092199626887
Energy: 1.3795670093116943
Energy: 1.5399092199626887
Energy: 1.557386156150017
Energy: 1.6232135869978408
Energy: 1.557386156150017
Energy: 1.6232135869972648
Energy: 1.557386156148866
Energy: 1.6232135869972648
Energy: 1.6717026015549743
Energy: 1.506721851561859
Energy: 1.6717026015549743
Energy: 1.506721851561859
Energy: 1.6717026015549743
Energy: 1.506721851561859
Energy: 1.463962745705529
Energy: 1.6451186219185723
Energy: 1.4639627457049533
Energy: 1.645118621919148
Energy: 1.4639627457049533
Energy: 1.6451186219197236
Energy: 1.5329957321682355
Energy: 1.505403389094308
Energy: 1.5236024889721886
Energy: 1.5054033890937326
Energy: 1.5236024889721886
Energy: 1.5054033890937326
Energy: 1.5603273136847513
Energy: 1.4709888448259878
Energy: 1.560327313684176
Energy: 1.4709888448254123
Energy: 1.5603273136853009
Energy: 1.4709888448254123
Energy: 1.5059956560591035
Energy: 1.493641772556353
Energy: 1.5059956560591035
Energy: 1.4936417725603823
Energy: 1.5059956560591035
Energy: 1.4936417725615334
Energy: 1.5537707943055523
Energy: 1.537991130079085
Energy: 1.553770794307279
Energy: 1.5379911300785094
Energy: 1.553770794307279
Energy: 1.5379911300796605
Energy: 1.3834850386065167
Energy: 1.3387308832177394
Energy: 1.3834850386007607
Energy: 1.3387308832177394
Energy: 1.383485038607668
Energy: 1.3387308832177394
Energy: 1.5898413376906813
Energy: 1.5490811277938554
Energy: 1.5898413376906813
Energy: 1.5490811277938554
Energy: 1.5898413376906813
Energy: 1.5490811277938554
Energy: 1.5598104731041016
Energy: 1.4484211591553864
Energy: 1.5598104731029503
Energy: 1.4484211591553864
Energy: 1.5598104731041016
Energy: 1.4484211591536595
Energy: 1.6674607348399333
Energy: 1.5321389415375373
Energy: 1.6674607348428114
Energy: 1.5321389415369617
Energy: 1.6674607348422357
Energy: 1.5321389415375373
Energy: 1.521132203155271
Energy: 1.6096171816748208
Energy: 1.521132203155271
Energy: 1.6096171816748208
Energy: 1.521132203155271
Energy: 1.6096171816748208
Energy: 1.5342600711879655
Energy: 1.4558945242825034
Energy: 1.5342600711879655
Energy: 1.4558945242819281
Energy: 1.53426007118739
Energy: 1.4558945242825034
Energy: 1.4709844358304387
Energy: 1.4740729876512964
Energy: 1.4709844358304387
Energy: 1.4740729876512964
Energy: 1.4709844358298632
Energy: 1.4740729876518721
Energy: 1.5113568951850345
Energy: 1.5673134680463972
Energy: 1.5113568951838834
Energy: 1.5673134680463972
Energy: 1.5113568951850345
Energy: 1.5673134680463972
Energy: 1.4442012204338417
Energy: 1.4776081682698907
Energy: 1.4442012204344172
Energy: 1.4776081682698907
Energy: 1.4442012204344172
Energy: 1.477608168269315
Energy: 1.570738442767206
Energy: 1.540406419621737
Energy: 1.570738442767206
Energy: 1.5404064196211615
Energy: 1.570738442766055
Energy: 1.5404064196211615
Energy: 1.5145157621793426
Energy: 1.5131906459887425
Energy: 1.5145157621793426
Energy: 1.513190645988167
Energy: 1.514515762178767
Energy: 1.513190645988167
Energy: 1.4616329846267486
Energy: 1.4989131574199528
Energy: 1.4616329846261733
Energy: 1.4989131574199528
Energy: 1.4616329846267486
Energy: 1.4989131574205283
Energy: 1.6085336009890268
Energy: 1.515304625238229
Energy: 1.6085336009890268
Energy: 1.515304625238229
Energy: 1.6085336009890268
Energy: 1.5153046252388043

minimum gb energy = 1.3040053104757248 eV
minimum distance =  2.30466884630237 Angstroms
sigma value = 57


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

Energy: 1.6994593001324159
Energy: 1.5107601859309194
Energy: 1.6994593001334402
Energy: 1.5107601859309194
Energy: 1.6994593001334402
Energy: 1.5107601859309194
Energy: 1.5135316867183992
Energy: 1.3393889907854561
Energy: 1.5135316867173745
Energy: 1.3393889907844319
Energy: 1.5135316867183992
Energy: 1.3393889907844319
Energy: 1.411367752158344
Energy: 1.2438629444473512
Energy: 1.411367752158344
Energy: 1.2438629444463267
Energy: 1.4113677521593686
Energy: 1.2438629444473512
Energy: 1.3933285097327013
Energy: 1.6553033171617744
Energy: 1.3933285097327013
Energy: 1.65530331716075
Energy: 1.3933285097327013
Energy: 1.65530331716075
Energy: 1.392029091314341
Energy: 1.306676420266672
Energy: 1.392029091317414
Energy: 1.306676420266672
Energy: 1.392029091314341
Energy: 1.306676420265648
Energy: 1.4000103939148352
Energy: 1.4123072548526174
Energy: 1.4000103939148352
Energy: 1.4123072548526174
Energy: 1.4000103939158597
Energy: 1.499558588421787
Energy: 1.6994593001334402
Energy: 1.5107601859309194
Energy: 1.6994593001324159
Energy: 1.5107601859309194
Energy: 1.6994593001334402
Energy: 1.5107601859309194
Energy: 1.5135316867194235
Energy: 1.3393889907834076
Energy: 1.5135316867194235
Energy: 1.3393889907834076
Energy: 1.5135316867194235
Energy: 1.3393889907834076
Energy: 1.4113677521573198
Energy: 1.2438629444473512
Energy: 1.4113677521573198
Energy: 1.2438629444473512
Energy: 1.4113677521573198
Energy: 1.2438629444473512
Energy: 1.3933285097337258
Energy: 1.488551833444298
Energy: 1.3933285097327013
Energy: 1.4885518334412249
Energy: 1.3933285097337258
Energy: 1.488551833448395
Energy: 1.392029091314341
Energy: 1.306676420266672
Energy: 1.3920290913153657
Energy: 1.306676420265648
Energy: 1.39202909131639
Energy: 1.306676420266672
Energy: 1.4000103939148352
Energy: 1.3375049527928908
Energy: 1.4000103939148352
Energy: 1.3375049527928908
Energy: 1.400010393916884
Energy: 1.5647874713117265
Energy: 1.6994593001324159
Energy: 1.5107601859319435
Energy: 1.6994593001324159
Energy: 1.5107601859309194
Energy: 1.6994593001324159
Energy: 1.510760185929895
Energy: 1.5135316867183992
Energy: 1.3393889907844319
Energy: 1.5135316867183992
Energy: 1.3393889907844319
Energy: 1.5135316867183992
Energy: 1.3393889907844319
Energy: 1.411367752158344
Energy: 1.2438629444483755
Energy: 1.411367752158344
Energy: 1.2438629444463267
Energy: 1.4113677521603927
Energy: 1.2438629444483755
Energy: 1.3933285097327013
Energy: 1.65530331716075
Energy: 1.3933285097327013
Energy: 1.6553033171617744
Energy: 1.3933285097327013
Energy: 1.65530331716075
Energy: 1.3920290913153657
Energy: 1.306676420265648
Energy: 1.3920290913153657
Energy: 1.306676420266672
Energy: 1.3920290913153657
Energy: 1.306676420265648

minimum gb energy = 1.2438629444463267 eV
minimum distance =  2.29221461559844 Angstroms
sigma value = 9


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

Energy: 1.6287834000130115
Energy: 1.5712869715697615
Energy: 1.6287834000130115
Energy: 1.5712869715689253
Energy: 1.628783400011339
Energy: 1.5712869715697615
Energy: 1.7399765922980135
Energy: 1.5136306228246712
Energy: 1.7399765922980135
Energy: 1.5136306228255074
Energy: 1.7399765922980135
Energy: 1.5136306228255074
Energy: 1.5776573485333742
Energy: 1.5324367375721415
Energy: 1.613281965832756
Energy: 1.5324367375721415
Energy: 1.613281965832756
Energy: 1.532436737571305
Energy: 1.6172326787087374
Energy: 1.6422102545891875
Energy: 1.6172326787079008
Energy: 1.6422102545900237
Energy: 1.6172326787087374
Energy: 1.6422102545900237
Energy: 1.4831994599061806
Energy: 1.5377492541934334
Energy: 1.4831994599070168
Energy: 1.5377492541951063
Energy: 1.4831994599061806
Energy: 1.5377492541951063
Energy: 1.6949824932602715
Energy: 1.6274752946117936
Energy: 1.6949824932602715
Energy: 1.6274752946117936
Energy: 1.6949824932602715
Energy: 1.6274752946109574
Energy: 1.5424338662028887
Energy: 1.4988378089539922
Energy: 1.5424338662028887
Energy: 1.4988378089498107
Energy: 1.542433866203725
Energy: 1.4988378089523198
Energy: 1.652144278702518
Energy: 1.6483804089566092
Energy: 1.652144278702518
Energy: 1.648380408955773
Energy: 1.6521442787008453
Energy: 1.648380408955773
Energy: 1.69817420536946
Energy: 1.5643186756068954
Energy: 1.69817420536946
Energy: 1.5643186756068954
Energy: 1.69817420536946
Energy: 1.5643186756068954
Energy: 1.5386304911857869
Energy: 1.480243085193099
Energy: 1.5386304911857869
Energy: 1.4802430851939354
Energy: 1.5386304911857869
Energy: 1.4802430851939354
Energy: 1.5030627334437916
Energy: 1.5865332639089675
Energy: 1.5030627334437916
Energy: 1.5865332639089675
Energy: 1.503062733442119
Energy: 1.5865332639106402
Energy: 1.7026957400550502
Energy: 1.61492898039278
Energy: 1.7026957400550502
Energy: 1.6149289803919438
Energy: 1.7026957400550502
Energy: 1.61492898039278
Energy: 1.631430463891152
Energy: 1.6083651789134803
Energy: 1.6314304638894792
Energy: 1.608365178912644
Energy: 1.6314304638903157
Energy: 1.6083651789134803
Energy: 1.7777271044983942
Energy: 1.573998210521581
Energy: 1.7777271044983942
Energy: 1.573998210521581
Energy: 1.7777271044975578
Energy: 1.573998210521581
Energy: 1.6577579989749898
Energy: 1.6219583150776486
Energy: 1.6577579989749898
Energy: 1.6219583150759762
Energy: 1.6577579989741533
Energy: 1.621958315078485
Energy: 1.5464898750964635
Energy: 1.5846950083946367
Energy: 1.5464898750956273
Energy: 1.5846950083946367
Energy: 1.546489875094791
Energy: 1.5846950083938005
Energy: 1.5860692747892609
Energy: 1.5834635004570312
Energy: 1.5860692747900973
Energy: 1.5834635004570312
Energy: 1.5860692747884246
Energy: 1.583463500456195
Energy: 1.6948814602867561
Energy: 1.6930425011553856
Energy: 1.6948814602867561
Energy: 1.6930425011553856
Energy: 1.6948814602867561
Energy: 1.6930425011553856
Energy: 1.5696193365043285
Energy: 1.5711880059939454
Energy: 1.569619336505963
Energy: 1.5711880059939454
Energy: 1.5696193365051647
Energy: 1.5711880059939454
Energy: 1.4931084536146768
Energy: 1.6087325982180951
Energy: 1.4931084536130041
Energy: 1.6087325982180951
Energy: 1.4931084536121677
Energy: 1.6087325982230751
Energy: 1.6618626176994566
Energy: 1.6121729236572266
Energy: 1.6618626177002929
Energy: 1.6121729236572266
Energy: 1.6618626176994566
Energy: 1.6121729236572266

minimum gb energy = 1.480243085193099 eV
minimum distance =  2.34297986473389 Angstroms
sigma value = 27


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

Energy: 2.2217032940295143
Energy: 1.3789241259184144
Energy: 2.2217032940295143
Energy: 1.37892412824026
Energy: 2.2217032940295143
Energy: 1.3789241273291397
Energy: 1.4492223117901366
Energy: 1.4391105485628681
Energy: 1.4492223117901366
Energy: 1.439110548566393
Energy: 1.4492223117915468
Energy: 1.4391105485614584
Energy: 1.4616072440503658
Energy: 1.4056695731788043
Energy: 1.4616072440517756
Energy: 1.4056695731788043
Energy: 1.4616072440524808
Energy: 1.4056695731780993
Energy: 1.4559718552598482
Energy: 1.830514583247499
Energy: 1.4559718552605532
Energy: 1.830514583247499
Energy: 1.4559718552612582
Energy: 1.830514583247499
Energy: 1.7590312045269276
Energy: 1.386004200317318
Energy: 1.7590312045269276
Energy: 1.3860042003130886
Energy: 1.7590312045297476
Energy: 1.3860042003109736
Energy: 1.6347047304655198
Energy: 2.043083831400655
Energy: 1.6347047304655198
Energy: 2.04308383140136
Energy: 1.6347047304648148
Energy: 2.043083831400655
Energy: 1.4388081783024889
Energy: 1.5551955820302217
Energy: 1.4388081783024889
Energy: 1.555195582028812
Energy: 1.4388081783031936
Energy: 1.555195582025287
Energy: 1.4146043505777617
Energy: 1.587917632550553
Energy: 1.414604350578467
Energy: 1.587917632551963
Energy: 1.414604350578467
Energy: 1.587917632551258
Energy: 1.451691026313386
Energy: 1.4584232609843704
Energy: 1.4516910263140907
Energy: 1.4584232609850754
Energy: 1.4516910263147957
Energy: 1.4584232609857801
Energy: 1.7073043417709848
Energy: 1.6312540019047863
Energy: 1.707304341451758
Energy: 1.6312540019047863
Energy: 1.7073043414355753
Energy: 1.6312540019040813
Energy: 2.143638606673393
Energy: 1.7568235927744074
Energy: 2.1436386066726882
Energy: 1.7568235927737026
Energy: 2.143638606673393
Energy: 1.7568235927737026
Energy: 1.5023438399141846
Energy: 1.4649616812393105
Energy: 1.5023438399148894
Energy: 1.4649616812386055
Energy: 1.5023438399155946
Energy: 1.4649616812386055
Energy: 1.4664967986181319
Energy: 1.4161162824807447
Energy: 1.4664967986561688
Energy: 1.4161162824772198
Energy: 1.4664967982756725
Energy: 1.4161162824793345
Energy: 1.4734765020474057
Energy: 1.532922585662619
Energy: 1.4734765020474057
Energy: 1.532922585662619
Energy: 1.4734765020467009
Energy: 1.532922585661914
Energy: 1.5519895390983909
Energy: 1.6940109655684905
Energy: 1.551989539097686
Energy: 1.6940109655691955
Energy: 1.5519895390983909
Energy: 1.6940109655684905
Energy: 1.6446025196500549
Energy: 1.3617252089587653
Energy: 1.6446025196500549
Energy: 1.3617252089580603
Energy: 1.6446025196507599
Energy: 1.3617252089587653
Energy: 1.5102926736503592
Energy: 1.4764754750088436
Energy: 1.5102926736503592
Energy: 1.4764754750081388
Energy: 1.5102926736503592
Energy: 1.4764754750088436
Energy: 1.4659709812736188
Energy: 1.32975236604696
Energy: 1.4659709812841935
Energy: 1.32975236604696
Energy: 1.4659709812982609
Energy: 1.32975236604696
Energy: 1.3271793931820992
Energy: 1.476199048315588
Energy: 1.3271793931806892
Energy: 1.4761990483141783
Energy: 1.3271793931820992
Energy: 1.4761990483148832
Energy: 2.2217032940302195
Energy: 1.3789241263454388
Energy: 2.2217032940295143
Energy: 1.3789241270028951
Energy: 2.2217032940295143
Energy: 1.3789241282698692
Energy: 1.4492223117901366
Energy: 1.4391105485621631
Energy: 1.4492223117901366
Energy: 1.4391105485614584
Energy: 1.4492223117901366
Energy: 1.4391105485642781
Energy: 1.4616072440517756
Energy: 1.4056695731788043
Energy: 1.4616072440524808
Energy: 1.4056695731788043
Energy: 1.4616072440510708
Energy: 1.4056695731788043
Energy: 1.4559718552598482
Energy: 1.830514583247499
Energy: 1.4559718552591432
Energy: 1.830514583247499
Energy: 1.4559718552591432
Energy: 1.8305145832467942
Energy: 1.7590312045311574
Energy: 1.3860042003116786
Energy: 1.7590312045311574
Energy: 1.3860042003166133
Energy: 1.7590312045283376
Energy: 1.3860042003095636
Energy: 1.6347047304655198
Energy: 2.043083831400655
Energy: 1.6347047304655198
Energy: 2.04308383140136
Energy: 1.6347047304655198
Energy: 2.04308383140136

minimum gb energy = 1.3271793931806892 eV
minimum distance =  2.36344053130101 Angstroms
sigma value = 19


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

Energy: 1.6942275787813346
Energy: 1.53844049687082
Energy: 1.694227578780726
Energy: 1.5384404968702114
Energy: 1.6942275787813346
Energy: 1.5384404968702114
Energy: 1.480015148636902
Energy: 1.4296484504739075
Energy: 1.480015148636902
Energy: 1.4296484504751246
Energy: 1.4800151486362934
Energy: 1.4296484504732991
Energy: 1.670385727497334
Energy: 1.4144625808203648
Energy: 1.4412724561202874
Energy: 1.4144625808191476
Energy: 1.441272456118462
Energy: 1.4144625808185392
Energy: 1.5080037452767352
Energy: 1.456145596061193
Energy: 1.5080037452761268
Energy: 1.456145596061193
Energy: 1.5080037452767352
Energy: 1.456145596061193
Energy: 1.4909488158894606
Energy: 1.5454723894174773
Energy: 1.4909488158900692
Energy: 1.545472389416869
Energy: 1.4909488158894606
Energy: 1.5454723894174773
Energy: 1.5116699523130337
Energy: 1.3760870781721468
Energy: 1.5116699523136423
Energy: 1.3760870781721468
Energy: 1.5116699523136423
Energy: 1.3760870781721468
Energy: 1.321341649739347
Energy: 1.5769763238057617
Energy: 1.3213416497399555
Energy: 1.5769763238075876
Energy: 1.3213416497399555
Energy: 1.5769763238033279
Energy: 1.4289689317605003
Energy: 1.553611652558289
Energy: 1.4289689317605003
Energy: 1.553611652558289
Energy: 1.4289689317617174
Energy: 1.5536116525576806
Energy: 1.539507985890101
Energy: 1.3508672093212482
Energy: 1.5395079858894924
Energy: 1.3508672093206395
Energy: 1.5395079858888838
Energy: 1.3508672093212482
Energy: 1.488456905339546
Energy: 1.4294633252374926
Energy: 1.4884569053401546
Energy: 1.4294633252374926
Energy: 1.4884569053401546
Energy: 1.4294633252374926
Energy: 1.3605011910424725
Energy: 1.5974986685499448
Energy: 1.3605011910424725
Energy: 1.5974986685499448
Energy: 1.3605011910418638
Energy: 1.5974986685493364
Energy: 1.5167109772781096
Energy: 1.510601745457825
Energy: 1.5167109772793268
Energy: 1.5106017454572167
Energy: 1.5167109772781096
Energy: 1.510601745457825
Energy: 1.5363820581704222
Energy: 1.5163119945639694
Energy: 1.5363820581698135
Energy: 1.5163119945639694
Energy: 1.5363820581698135
Energy: 1.5163119945657948
Energy: 1.442433438014684
Energy: 1.427673335839444
Energy: 1.4424334380152923
Energy: 1.4276733358400526
Energy: 1.442433438014684
Energy: 1.4276733358400526
Energy: 1.6019451175291348
Energy: 1.4288906480175345
Energy: 1.6019451175291348
Energy: 1.428890648018143
Energy: 1.6019451175291348
Energy: 1.4288906480175345
Energy: 1.5498499306358529
Energy: 1.3601978882490924
Energy: 1.5498499306358529
Energy: 1.3601978882490924
Energy: 1.5498499306358529
Energy: 1.3601978882484838
Energy: 1.5707561168189652
Energy: 1.4705400868992458
Energy: 1.5707561168195738
Energy: 1.4705400868992458
Energy: 1.5707561168189652
Energy: 1.4705400868998542
Energy: 1.6123542651102598
Energy: 1.5485962450324233
Energy: 1.6123542651108684
Energy: 1.548596245031815
Energy: 1.6123542651102598
Energy: 1.5485962450312063
Energy: 1.352699578585882
Energy: 1.4536141309705486
Energy: 1.3526995785852736
Energy: 1.4536141309711572
Energy: 1.3526995785870992
Energy: 1.4536141309711572
Energy: 1.4507525956559673
Energy: 1.5088599806286764
Energy: 1.4507525956553586
Energy: 1.5088599806292848
Energy: 1.4507525956559673
Energy: 1.508859980628068
Energy: 1.3977767209359966
Energy: 1.6206985738112984
Energy: 1.3977767209366054
Energy: 1.6206985738106898
Energy: 1.3977767209372136
Energy: 1.6206985738100816
Energy: 1.499867196110699
Energy: 1.4168769208119931
Energy: 1.499867196110699
Energy: 1.4168769208119931
Energy: 1.4998671961125247
Energy: 1.4168769208113845
Energy: 1.5580334498837634
Energy: 1.4084590572483071
Energy: 1.5580334498831547
Energy: 1.4084590572513498
Energy: 1.5580334498825466
Energy: 1.40845905724709
Energy: 1.4723867081448088
Energy: 1.5292810217278658
Energy: 1.4723867081448088
Energy: 1.5292810217284745
Energy: 1.4723867081448088
Energy: 1.5292810217284745
Energy: 1.5179806689422144
Energy: 1.3804610078826802
Energy: 1.5179806689422144
Energy: 1.380461007880246
Energy: 1.5179806689422144
Energy: 1.3804610078808548
Energy: 1.6354525835510172
Energy: 1.535750340389232
Energy: 1.6354525835449316
Energy: 1.535750340389232
Energy: 1.6354525835504088
Energy: 1.535750340389232
Energy: 1.3567368726698552
Energy: 1.4631265328286533
Energy: 1.3567368726704636
Energy: 1.4631265328280447
Energy: 1.3567368726704636
Energy: 1.4631265328286533
Energy: 1.549949521417041
Energy: 1.4939453159565448
Energy: 1.5499495214200836
Energy: 1.4939453159565448
Energy: 1.5499495214176495
Energy: 1.4939453159577618
Energy: 1.4834719900244835
Energy: 1.457545821791398
Energy: 1.4834719900208324
Energy: 1.457545821791398
Energy: 1.4834719900244835
Energy: 1.4575458217920063

minimum gb energy = 1.321341649739347 eV
minimum distance =  2.33375642895637 Angstroms
sigma value = 101


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

Energy: 1.5565097180852017
Energy: 1.4378571137956517
Energy: 1.5565097180857366
Energy: 1.4378571137956517
Energy: 1.5565097180852017
Energy: 1.4378571137956517
Energy: 1.4700469555634306
Energy: 1.3670022990606607
Energy: 1.4700469555484525
Energy: 1.367002299059591
Energy: 1.470046955561291
Energy: 1.3670022990601258
Energy: 1.2574203332265523
Energy: 1.5124652607778317
Energy: 1.2574203332270872
Energy: 1.512465260776227
Energy: 1.2574203332265523
Energy: 1.512465260776227
Energy: 1.2527799409022677
Energy: 1.682978868227055
Energy: 1.252779940901733
Energy: 1.571296774529875
Energy: 1.2527799409028026
Energy: 1.5712967745288051
Energy: 1.2811666472304744
Energy: 1.4499218194661896
Energy: 1.2811666472315444
Energy: 1.4499218194661896
Energy: 1.2811666472294048
Energy: 1.4499218194661896
Energy: 1.370707282295772
Energy: 1.5278963021792251
Energy: 1.370707282295237
Energy: 1.52789630217869
Energy: 1.370707282296307
Energy: 1.5278963021792251
Energy: 1.2973825975307165
Energy: 1.4470910150961405
Energy: 1.2973825975333912
Energy: 1.4470910151030947
Energy: 1.2973825975312514
Energy: 1.4470910151095138
Energy: 1.2667114157695534
Energy: 1.651119015670895
Energy: 1.2667114157695534
Energy: 1.4088240860062358
Energy: 1.2667114157690185
Energy: 1.4088240859784196
Energy: 1.368136757108928
Energy: 1.2698559745183766
Energy: 1.3681367571083929
Energy: 1.2698559745183766
Energy: 1.3681367571078582
Energy: 1.269855974517307
Energy: 1.356194388933262
Energy: 1.6475676327583901
Energy: 1.3561943889316572
Energy: 1.6763996226107518
Energy: 1.356194388933262
Energy: 1.5396609443290363
Energy: 1.2510324101677284
Energy: 1.6197019298450122
Energy: 1.2510324101677284
Energy: 1.6197019298444775
Energy: 1.2510324101677284
Energy: 1.6197019298444775
Energy: 1.5193976361116523
Energy: 1.3691747905184672
Energy: 1.5193976361111174
Energy: 1.3691747905184672
Energy: 1.5193976361116523
Energy: 1.3691747905184672
Energy: 1.306596543525377
Energy: 1.3872533335203416
Energy: 1.3065965435259117
Energy: 1.3872533335203416
Energy: 1.3065965435264466
Energy: 1.3872533335214117
Energy: 1.431747869219148
Energy: 1.5272424085895073
Energy: 1.4317478692186134
Energy: 1.5272424085889724
Energy: 1.431747869219148
Energy: 1.5272424085900422
Energy: 1.6063716426930061
Energy: 1.5030804377844866
Energy: 1.606371642692471
Energy: 1.5030804377839517
Energy: 1.606371642693541
Energy: 1.5030804377844866
Energy: 1.2559578199190884
Energy: 1.2835902955707748
Energy: 1.2559578199201582
Energy: 1.2835902955718443
Energy: 1.255957819921763
Energy: 1.2835902955707748
Energy: 1.2511839762225305
Energy: 1.5892851637458874
Energy: 1.2511839762225305
Energy: 1.589285163747492
Energy: 1.2511839762225305
Energy: 1.5892851637464223
Energy: 1.3776106443421416
Energy: 1.5110745312768226
Energy: 1.377610644341607
Energy: 1.5110745312773575
Energy: 1.377610644341607
Energy: 1.5110745312687983
Energy: 1.3684739655913345
Energy: 1.2694545357284677
Energy: 1.3684739655913345
Energy: 1.269454535727933
Energy: 1.3684739655918696
Energy: 1.2694545357284677
Energy: 1.319623327682053
Energy: 1.4447077985257477
Energy: 1.3196233276874023
Energy: 1.4447077985262826
Energy: 1.319623327687937
Energy: 1.4447077985262826
Energy: 1.2687561055572227
Energy: 1.5026101989027592
Energy: 1.2687561055572227
Energy: 1.502610198903294
Energy: 1.2687561055561527
Energy: 1.502610198903294
Energy: 1.6780481664556033
Energy: 1.287370222033441
Energy: 1.6780481664556033
Energy: 1.2873702220323713
Energy: 1.6780481664561382
Energy: 1.2873702220323713
Energy: 1.5752097663367295
Energy: 1.3820668801403706
Energy: 1.5752097663367295
Energy: 1.38206688014465
Energy: 1.5752097663367295
Energy: 1.3820668801419755
Energy: 1.2526968818996205
Energy: 1.457515818215175
Energy: 1.2526968818996205
Energy: 1.457515818214105
Energy: 1.2526968818996205
Energy: 1.457515818215175
Energy: 1.4569300391825848
Energy: 1.4060472368016996
Energy: 1.45693003918312
Energy: 1.4060472367947454
Energy: 1.4569300391820499
Energy: 1.4060472367963504
Energy: 1.307958499785205
Energy: 1.3014952246617415
Energy: 1.3079584997846698
Energy: 1.3014952246622762
Energy: 1.3079584997841351
Energy: 1.3014952246622762
Energy: 1.3056753470390257
Energy: 1.3678057623274125
Energy: 1.305675347037421
Energy: 1.3678057623311568
Energy: 1.3056753470395606
Energy: 1.3678057623322266
Energy: 1.4407628903855876
Energy: 1.4824774165144632
Energy: 1.4407628903855876
Energy: 1.4824774165144632
Energy: 1.4407628903866574
Energy: 1.4824774165144632
Energy: 1.4086900654590964
Energy: 1.283384751652531
Energy: 1.4086900654574916
Energy: 1.283384751653066
Energy: 1.4086900654580263
Energy: 1.283384751653066
Energy: 1.3772984047609123
Energy: 1.4451495028481562
Energy: 1.3772984047614474
Energy: 1.445149502849226
Energy: 1.3772984047609123
Energy: 1.4451495028481562
Energy: 1.2512606087632958
Energy: 1.3819695247264319
Energy: 1.2512606087627611
Energy: 1.381969524724827
Energy: 1.251260608763831
Energy: 1.3819695247258967
Energy: 1.5843865805570523
Energy: 1.2874523837068272
Energy: 1.5843865805570523
Energy: 1.2874523837052225
Energy: 1.5843865805575872
Energy: 1.2874523837062923
Energy: 1.5966512651199667
Energy: 1.5294330337288395
Energy: 1.5966512651205016
Energy: 1.5294330337288395
Energy: 1.5966512651205016
Energy: 1.5294330337288395

minimum gb energy = 1.2510324101677284 eV
minimum distance =  2.36112153373519 Angstroms
sigma value = 33


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

Energy: 0.018635000553400106
Energy: 0.7902876098401064
Energy: 0.018635000553400106
Energy: 0.7902876098401064
Energy: 0.018635000553400106
Energy: 0.7902876098396621
Energy: 0.01961470028371989
Energy: 0.3178798669486155
Energy: 0.01961470028371989
Energy: 0.3178798669486155
Energy: 0.01961470028371989
Energy: 0.31787986694777587
Energy: 0.7905346838854549
Energy: 3.7073979136801696
Energy: 0.7906097196476445
Energy: 3.7073979136801696
Energy: 0.7905903866460562
Energy: 3.707397913680614
Energy: 0.01961470028371989
Energy: 0.31787986694777587
Energy: 0.01961470028371989
Energy: 0.3178798669486155
Energy: 0.019614700284164344
Energy: 0.31787986694733145

minimum gb energy = 0.018635000553400106 eV
minimum distance =  2.54060686023933 Angstroms
sigma value = 1