Model name: model_name=Sim_LAMMPS_TersoffZBL_HenrikssonBjorkasNordlund_2013_FeC__SM_473463498269_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.8886456936597833
cohesive_energy=4.17898683463013
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: 0.012651584257379885
Energy: 0.012941284575827557
Energy: 0.41425177795805085
Energy: 0.012941284575827557
Energy: 0.012651584257379885
Energy: 0.012941284575827557
Energy: 0.012941284575827557
Energy: 2.4004735238814403
Energy: 0.012941284575363692
Energy: 2.9784059313980595
Energy: 0.012941284575827557
Energy: 2.4004735238814403
Energy: 0.41425177795805085
Energy: 0.012941284575827557
Energy: 0.012651584257379885
Energy: 0.012941284575363692
Energy: 0.41425177795805085
Energy: 0.012941284575827557
Energy: 0.012941284575827557
Energy: 2.9784059313985236
Energy: 0.012941284575363692
Energy: 2.400473523880976
Energy: 0.012941284575827557
Energy: 2.9570375313870256
Energy: 0.012651584257379885
Energy: 0.012941284575827557
Energy: 0.41425177795805085
Energy: 0.012941284575827557
Energy: 0.012651584257379885
Energy: 0.012941284575827557
Energy: 0.012941284575363692
Energy: 2.4004735238814403
Energy: 0.012941284575363692
Energy: 2.9570375313874893
Energy: 0.012941284575827557
Energy: 2.4004735238814403

minimum gb energy = 0.012651584257379885 eV
minimum distance =  2.46449648429384 Angstroms
sigma value = 1


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

Energy: 1.5821221910889343
Energy: 1.6712613197606914
Energy: 1.2927416366276765
Energy: 1.671261319759509
Energy: 1.5821221910901166
Energy: 1.671261319759509
Energy: 1.376876563462227
Energy: 1.7098655490995116
Energy: 1.4935017344268666
Energy: 1.7098655453534075
Energy: 1.3768765634598625
Energy: 1.7098655517407382
Energy: 1.286981082277286
Energy: 1.6195967837371452
Energy: 1.4675271023740728
Energy: 1.6195967837371452
Energy: 1.286981082277286
Energy: 1.6195967837371452
Energy: 1.4937372631356882
Energy: 1.440338601796371
Energy: 1.7148579314429455
Energy: 1.4403386016888389
Energy: 1.4937372631333237
Energy: 1.4403386014063857
Energy: 1.493569441405677
Energy: 1.6254919906033878
Energy: 1.4045579758754065
Energy: 1.6254919906033878
Energy: 1.4935694414033125
Energy: 1.6254919906033878
Energy: 1.4663621316749658
Energy: 1.5668938519274374
Energy: 1.2984227390426821
Energy: 1.5668938519274374
Energy: 1.4663621316749658
Energy: 1.5668938519274374
Energy: 1.4661648951007022
Energy: 1.5635062199130463
Energy: 1.2926934016179152
Energy: 1.5635062199130463
Energy: 1.4661648950995203
Energy: 1.5635062199142284
Energy: 1.6190412596944102
Energy: 1.6475705547993655
Energy: 1.8902852309308347
Energy: 1.6475705547993655
Energy: 1.6190412596932278
Energy: 1.647570554800548
Energy: 1.5028394404209326
Energy: 1.4311482603328338
Energy: 1.770537648024191
Energy: 1.4311482603328338
Energy: 1.5028394404209326
Energy: 1.4311482603340164
Energy: 1.4658440785588398
Energy: 1.6172967947967338
Energy: 1.2930054599981446
Energy: 1.6172967947967338
Energy: 1.4658440785600222
Energy: 1.6172967947955514
Energy: 2.03895094369239
Energy: 2.1435942489569078
Energy: 1.5653211164279743
Energy: 2.1435942489569078
Energy: 2.03895094369239
Energy: 2.1435942489569078
Energy: 1.3907669077707023
Energy: 1.6781322184663552
Energy: 1.3928392985345757
Energy: 1.6781322184675374
Energy: 1.3907669077707023
Energy: 1.6781322184675374
Energy: 1.6227696745672655
Energy: 2.1435942489557256
Energy: 1.7206199239896338
Energy: 2.1435942489557256
Energy: 1.622769674566083
Energy: 2.1435942489557256
Energy: 1.2924675743650988
Energy: 1.6172176935736085
Energy: 1.4658322718965848
Energy: 1.6172176935736085
Energy: 1.2924675743650988
Energy: 1.6172176935736085
Energy: 1.7704415199485222
Energy: 1.431958770703469
Energy: 1.5029465549507255
Energy: 1.4319587707011043
Energy: 1.7704415199485222
Energy: 1.4319587707022867
Energy: 1.8905200352384184
Energy: 1.6476793904485985
Energy: 1.6190550027814512
Energy: 1.647679390447416
Energy: 1.8905200352396005
Energy: 1.647679390447416
Energy: 1.2927373376237334
Energy: 1.5641685657315494
Energy: 1.4661583708531074
Energy: 1.5641685657315494
Energy: 1.2927373376237334
Energy: 1.5641685657315494
Energy: 1.297780311544607
Energy: 1.5650998544670138
Energy: 1.466073597810591
Energy: 1.5650998544670138
Energy: 1.297780311545789
Energy: 1.5650998544670138
Energy: 1.3324356308938317
Energy: 1.62955090703374
Energy: 1.4942836424505623
Energy: 1.62955090703374
Energy: 1.3324356308914673
Energy: 1.6295509070325578
Energy: 1.7153883159172703
Energy: 1.4400341171453683
Energy: 1.4937662825495435
Energy: 1.4400341171453683
Energy: 1.7153883159184526
Energy: 1.440034117147733
Energy: 1.4676572584142495
Energy: 1.6195662753702373
Energy: 1.286888278136774
Energy: 1.6195662753702373
Energy: 1.4676572584142495
Energy: 1.6195662753702373
Energy: 1.4933472742967726
Energy: 1.7267565872632615
Energy: 1.589059347284522
Energy: 1.7267565872632615
Energy: 1.493347274297955
Energy: 1.7267565872597148
Energy: 1.5423618323054906
Energy: 1.6712613197606914
Energy: 1.5821221910889343
Energy: 1.6712613197606914
Energy: 1.5423618323054906
Energy: 1.671261319759509

minimum gb energy = 1.286888278136774 eV
minimum distance =  2.27598002583371 Angstroms
sigma value = 33


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

Energy: 1.9255910372696776
Energy: 1.7752253699926412
Energy: 1.3727992265803846
Energy: 1.7752253699926412
Energy: 1.9255910372696776
Energy: 1.7752253699926412
Energy: 1.580211474034134
Energy: 1.6062366922864038
Energy: 1.6552775706342049
Energy: 1.6062366922857312
Energy: 1.5802114740354791
Energy: 1.6062366922870763
Energy: 1.3824124889681193
Energy: 1.7606099088982208
Energy: 1.6377437893622624
Energy: 1.7606099088962033
Energy: 1.3824124889681193
Energy: 1.760609908895531
Energy: 1.4599155435623863
Energy: 1.653771406763661
Energy: 1.6913724632753935
Energy: 1.6537714067663511
Energy: 1.4599155435617137
Energy: 1.6537714067650058
Energy: 1.4245732599588725
Energy: 1.8272050569701341
Energy: 1.581147173167556
Energy: 1.8272050569708067
Energy: 1.4245732599582
Energy: 1.8272050569701341
Energy: 1.8653931700777453
Energy: 1.7163594909247875
Energy: 1.3634460287056818
Energy: 1.7163594909247875
Energy: 1.8653931700770732
Energy: 1.7163594909247875
Energy: 1.8085897545130405
Energy: 1.6630953401677269
Energy: 1.5764470732096758
Energy: 1.6630953401677269
Energy: 1.8085897545130405
Energy: 1.6630953401683994
Energy: 1.3669361978664893
Energy: 1.7402769124987592
Energy: 1.898213019495573
Energy: 1.7402769124967417
Energy: 1.3669361978664893
Energy: 1.7402769124980866
Energy: 1.4358838803955096
Energy: 1.5226874305711622
Energy: 1.9297451893784474
Energy: 1.5226874305725073
Energy: 1.4358838803948368
Energy: 1.5226874305745246
Energy: 1.4254875661826276
Energy: 1.7714130697324795
Energy: 1.3995117640655295
Energy: 1.7714130697324795
Energy: 1.4254875661826276
Energy: 1.7714130697324795
Energy: 1.839014718354715
Energy: 1.722733001478737
Energy: 1.6391047696208372
Energy: 1.7227330014780646
Energy: 1.8390147183540424
Energy: 1.7227330014794098
Energy: 1.575282222696495
Energy: 1.750722308653645
Energy: 1.4410083827228293
Energy: 1.750722308653645
Energy: 1.5752822226958227
Energy: 1.750722308653645
Energy: 1.5984320918695032
Energy: 1.5777772766315494
Energy: 1.6736995089074085
Energy: 1.5777772766315494
Energy: 1.5984320918701755
Energy: 1.5777772766308769
Energy: 1.477909244140318
Energy: 1.765074466253456
Energy: 1.8866328952699096
Energy: 1.7650744662541287
Energy: 1.477909244140318
Energy: 1.7650744662527837
Energy: 1.627543283485711
Energy: 1.9157697254553936
Energy: 1.6014461101865245
Energy: 1.915769725454721
Energy: 1.6275432834836936
Energy: 1.9157697254553936
Energy: 1.6366479854081992
Energy: 1.8572766012076303
Energy: 1.44203848918493
Energy: 1.8572766012076303
Energy: 1.6366479854081992
Energy: 1.8572766012076303
Energy: 1.720191721778171
Energy: 1.8710475319057
Energy: 1.3994600402837791
Energy: 1.8710475319063724
Energy: 1.720191721778171
Energy: 1.871047531907045
Energy: 1.6185660850602008
Energy: 1.9061123222906062
Energy: 1.6036729721169554
Energy: 1.9061123222906062
Energy: 1.6185660850602008
Energy: 1.9061123222912788
Energy: 1.3675677272318199
Energy: 1.7155668252570777
Energy: 1.8982428288757482
Energy: 1.7155668252570777
Energy: 1.3675677272318199
Energy: 1.7155668252570777
Energy: 1.5628419693134215
Energy: 1.5303142029992725
Energy: 1.855940462885885
Energy: 1.530314202999945
Energy: 1.5628419693140938
Energy: 1.5303142030012897
Energy: 1.675647303501075
Energy: 1.7822958173452617
Energy: 1.3429593034712033
Energy: 1.7822958173439165
Energy: 1.675647303501075
Energy: 1.7822958173452617
Energy: 1.7599164322456684
Energy: 1.6061180545994773
Energy: 1.7654270162117305
Energy: 1.6061180545967875
Energy: 1.7599164322456684
Energy: 1.6061180546008225
Energy: 1.4020435795136634
Energy: 1.729519031585086
Energy: 1.6499434761645833
Energy: 1.729519031585086
Energy: 1.4020435795136634
Energy: 1.729519031585086
Energy: 1.6000536759811606
Energy: 1.8402872782323667
Energy: 1.5521767046722716
Energy: 1.8402872782290045
Energy: 1.6000536759811606
Energy: 1.8402872782330393
Energy: 1.4415903407286597
Energy: 1.8165529879606461
Energy: 1.637767319723001
Energy: 1.8165529879606461
Energy: 1.4415903407293325
Energy: 1.8165529879606461
Energy: 1.9168566382465695
Energy: 1.8617914264709177
Energy: 1.4149263483775791
Energy: 1.8617914264722624
Energy: 1.9168566382465695
Energy: 1.8617914264709177
Energy: 1.8561512641275346
Energy: 1.7856139092135586
Energy: 1.3774948714286612
Energy: 1.7856139092128862
Energy: 1.8561512641275346
Energy: 1.7856139092149035
Energy: 1.4399142354169405
Energy: 1.788303870397694
Energy: 1.6302782672758442
Energy: 1.788303870397694
Energy: 1.439914235416268
Energy: 1.7883038703983665
Energy: 1.6146215835556308
Energy: 1.7427640643544273
Energy: 1.505211469230468
Energy: 1.7427640643571172
Energy: 1.6146215835556308
Energy: 1.742764064365859
Energy: 1.402088486803274
Energy: 1.7419888790617608
Energy: 1.515012833190298
Energy: 1.7419888790617608
Energy: 1.402088486803274
Energy: 1.7419888790617608
Energy: 1.8197981603851303
Energy: 1.6061180545940976
Energy: 1.695622660523462
Energy: 1.606118054591408
Energy: 1.8197981603851303
Energy: 1.6061180545947702
Energy: 1.6756846713128675
Energy: 1.7741499292826857
Energy: 1.3496854502184286
Energy: 1.7741499292826857
Energy: 1.6756846713121951
Energy: 1.774149929282013
Energy: 1.5090947139616857
Energy: 1.5297455145332781
Energy: 1.7699867017424216
Energy: 1.5297455145352954
Energy: 1.5090947139616857
Energy: 1.5297455145339505
Energy: 1.3543231127968622
Energy: 1.743354830312714
Energy: 1.850287684115824
Energy: 1.743354830312714
Energy: 1.354323112797535
Energy: 1.743354830312714
Energy: 1.6333024851268396
Energy: 1.786675367752819
Energy: 1.6942969876668337
Energy: 1.786675367752819
Energy: 1.633302485126167
Energy: 1.786675367752819
Energy: 1.6434447856652548
Energy: 1.954810606343588
Energy: 1.4225021146617376
Energy: 1.9548106063429154
Energy: 1.6434447856645822
Energy: 1.9548106063429154
Energy: 1.6902716138197766
Energy: 1.8463864044825946
Energy: 1.3826859939056202
Energy: 1.8463864044839395
Energy: 1.6902716138191043
Energy: 1.846386404481922
Energy: 1.6350255218645409
Energy: 1.892717863169566
Energy: 1.7239716888665408
Energy: 1.892717863169566
Energy: 1.635025521865886
Energy: 1.892717863169566
Energy: 1.4848054800705146
Energy: 1.7676674974646456
Energy: 1.8872280003379114
Energy: 1.7676674974646456
Energy: 1.484805480069842
Energy: 1.767667497463973
Energy: 1.6036098925583782
Energy: 1.5553969246979502
Energy: 1.524397275005757
Energy: 1.5553969247080373
Energy: 1.6036098925603954
Energy: 1.5553969247019852
Energy: 1.5755700155449528
Energy: 1.7676053099708986
Energy: 1.4119512229174307
Energy: 1.7676053099715405
Energy: 1.5755700155449528
Energy: 1.7676053099708986

minimum gb energy = 1.3429593034712033 eV
minimum distance =  2.26588546361681 Angstroms
sigma value = 51


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

Energy: 1.766967562259667
Energy: 1.883482161152379
Energy: 1.3467277716330508
Energy: 1.883482161150821
Energy: 1.766967562259667
Energy: 1.883482161152379
Energy: 1.4463100919382166
Energy: 1.6660208512373802
Energy: 1.918138448804547
Energy: 1.6660208512373802
Energy: 1.4463100919382166
Energy: 1.666020851235822
Energy: 1.3818745677642659
Energy: 1.7731480457470432
Energy: 1.5694248664448693
Energy: 1.7731480457470432
Energy: 1.381874567762708
Energy: 1.7731480457470432
Energy: 1.388124725625969
Energy: 1.801776642479509
Energy: 1.850472193752524
Energy: 1.801776642479509
Energy: 1.388124725625969
Energy: 1.801776642479509
Energy: 1.4234055982659395
Energy: 1.7109945605053447
Energy: 1.705456827975963
Energy: 1.7109945605053447
Energy: 1.4234055982659395
Energy: 1.7109945605053447
Energy: 1.683354627147519
Energy: 1.6326304749046519
Energy: 1.781782764883384
Energy: 1.6326304749046519
Energy: 1.6833546271459612
Energy: 1.6326304749046519
Energy: 1.6943711456320962
Energy: 1.6328115039860618
Energy: 1.804979723190424
Energy: 1.63281150398762
Energy: 1.6943711456320962
Energy: 1.63281150398762
Energy: 1.37211614952931
Energy: 1.7141848750108375
Energy: 1.4556578239121136
Energy: 1.7141848750108375
Energy: 1.37211614952931
Energy: 1.7141848750108375
Energy: 1.7562229222574743
Energy: 1.8700941802973894
Energy: 1.5397805172981855
Energy: 1.8700941802973894
Energy: 1.7562229222574743
Energy: 1.8700941802973894
Energy: 1.371780329255861
Energy: 1.7775007127437847
Energy: 1.4568236574587565
Energy: 1.7775007127437847
Energy: 1.371780329255861
Energy: 1.7775007127437847
Energy: 1.7644345165830797
Energy: 1.6243135981467216
Energy: 1.6519120434207606
Energy: 1.6243135981467216
Energy: 1.7644345165830797
Energy: 1.6243135980672943
Energy: 1.7983787460870364
Energy: 1.8458190235208787
Energy: 1.7877025226119645
Energy: 1.8458190235208787
Energy: 1.798378746085478
Energy: 1.8458190235208787
Energy: 1.4996190657068995
Energy: 1.8966955713572846
Energy: 1.855666770343678
Energy: 1.8966955713572846
Energy: 1.4996190657115382
Energy: 1.8966955713572846
Energy: 1.3719706923632389
Energy: 1.7705502712225387
Energy: 1.8072873579586646
Energy: 1.7705502712225387
Energy: 1.3719706923632389
Energy: 1.7705502712209806
Energy: 1.3894468996674352
Energy: 1.7997649872312713
Energy: 1.85867380378199
Energy: 1.7997649872328296
Energy: 1.3894468996674352
Energy: 1.7997649872312713
Energy: 1.437766851032401
Energy: 1.8985903973440672
Energy: 1.8861569736948356
Energy: 1.8985903973440672
Energy: 1.437766851032401
Energy: 1.8985903973440672
Energy: 1.6804065869477587
Energy: 1.9135375310652167
Energy: 1.7732021764828223
Energy: 1.9135375310652167
Energy: 1.6804065869477587
Energy: 1.9135375310652167
Energy: 1.8879629362681887
Energy: 1.6938928415659045
Energy: 1.722883098273689
Energy: 1.6938928415643462
Energy: 1.8879629362681887
Energy: 1.6938928415659045

minimum gb energy = 1.3467277716330508 eV
minimum distance =  2.27087129172108 Angstroms
sigma value = 19


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

Energy: 1.7832956901259578
Energy: 1.88994046474525
Energy: 1.5155393701054753
Energy: 1.8899404647443256
Energy: 1.7832956901259578
Energy: 1.8899404647443256
Energy: 1.5065818167684275
Energy: 1.853997596304028
Energy: 1.74986374730419
Energy: 1.853997596304028
Energy: 1.5065818167693517
Energy: 1.853997596304028
Energy: 1.442114477725953
Energy: 1.8537337758335344
Energy: 1.5556622417236197
Energy: 1.8537337758335344
Energy: 1.442114477725953
Energy: 1.8537337758335344
Energy: 1.5132771484086738
Energy: 1.740641377060943
Energy: 1.8269412205882942
Energy: 1.740641377060943
Energy: 1.5132771484095977
Energy: 1.740641377060943
Energy: 1.4519779648950193
Energy: 1.8237001711869774
Energy: 1.7036598031247698
Energy: 1.8237001711869774
Energy: 1.4519779648959434
Energy: 1.8237001711869774
Energy: 1.7225800267361684
Energy: 1.8236928467672429
Energy: 1.451969419364218
Energy: 1.8236928467672429
Energy: 1.7225800267361684
Energy: 1.8236928467672429
Energy: 1.8266814982155057
Energy: 1.7404980784036757
Energy: 1.4353049157116222
Energy: 1.7404980784046
Energy: 1.8266814982155057
Energy: 1.7404980784046
Energy: 1.555682936290923
Energy: 1.853729037647166
Energy: 1.4421435126910451
Energy: 1.853729037647166
Energy: 1.555682936290923
Energy: 1.853729037647166
Energy: 1.749793431603917
Energy: 1.8562797043383514
Energy: 1.5226581091796894
Energy: 1.8562797043383514
Energy: 1.749793431603917
Energy: 1.8562797043383514
Energy: 1.5193665476316123
Energy: 1.8899404647443256
Energy: 1.7832956901259578
Energy: 1.8899404647443256
Energy: 1.5193665476316123
Energy: 1.8899404647443256
Energy: 1.74986374730419
Energy: 1.853997596304028
Energy: 1.5216432970281528
Energy: 1.853997596304028
Energy: 1.74986374730419
Energy: 1.853997596304028
Energy: 1.5556622417236197
Energy: 1.8537337758335344
Energy: 1.442114477725953
Energy: 1.8537337758335344
Energy: 1.5556622417236197
Energy: 1.8537337758335344
Energy: 1.82694122058737
Energy: 1.740641377060943
Energy: 1.5817028429440865
Energy: 1.740641377060943
Energy: 1.8269412205882942
Energy: 1.740641377060943
Energy: 1.6436783361598817
Energy: 1.8237001711869774
Energy: 1.4519779648950193
Energy: 1.8237001711869774
Energy: 1.64367833616173
Energy: 1.8237001711869774
Energy: 1.451969419364218
Energy: 1.8236928467672429
Energy: 1.7744596489575892
Energy: 1.8236928467672429
Energy: 1.451969419364218
Energy: 1.8236928467672429
Energy: 1.4353049157116222
Energy: 1.7404980784046
Energy: 1.8266814982145818
Energy: 1.7404980784046
Energy: 1.4353049157106978
Energy: 1.7404980784036757
Energy: 1.4421435126901208
Energy: 1.853729037647166
Energy: 1.555682936290923
Energy: 1.853729037647166
Energy: 1.4421435126901208
Energy: 1.853729037647166
Energy: 1.5226581091796894
Energy: 1.8562797043383514
Energy: 1.749793431603917
Energy: 1.8562797043392758
Energy: 1.5226581091796894
Energy: 1.8562797043383514
Energy: 1.7832956901259578
Energy: 1.8899404647443256
Energy: 1.563528435583519
Energy: 1.8899404647443256
Energy: 1.783295690126882
Energy: 1.88994046474525
Energy: 1.5216432970281528
Energy: 1.853997596304028
Energy: 1.74986374730419
Energy: 1.853997596304028
Energy: 1.5216432970281528
Energy: 1.853997596303104
Energy: 1.442114477725953
Energy: 1.8537337758335344
Energy: 1.5556622417236197
Energy: 1.8537337758335344
Energy: 1.442114477725953
Energy: 1.8537337758335344
Energy: 1.5817028429440865
Energy: 1.740641377060943
Energy: 1.8269412205882942
Energy: 1.740641377060943
Energy: 1.581702842943162
Energy: 1.740641377060943
Energy: 1.4519779648959434
Energy: 1.8237001711869774
Energy: 1.6436783361608058
Energy: 1.8237001711869774
Energy: 1.4519779648959434
Energy: 1.8237001711869774
Energy: 1.7744596489557618
Energy: 1.8236928467663187
Energy: 1.451969419364218
Energy: 1.8236928467672429
Energy: 1.7744596489575892
Energy: 1.8236928467672429
Energy: 1.8266814982164303
Energy: 1.7404980784046
Energy: 1.4353049157106978
Energy: 1.7404980784046
Energy: 1.8266814982155057
Energy: 1.7404980784046
Energy: 1.555682936290923
Energy: 1.853729037647166
Energy: 1.4421435126901208
Energy: 1.85372903764809
Energy: 1.555682936290923
Energy: 1.853729037647166
Energy: 1.749793431604841
Energy: 1.8562797043383514
Energy: 1.5226581091796894
Energy: 1.8562797043392758
Energy: 1.749793431604841
Energy: 1.8562797043383514
Energy: 1.563528435583519
Energy: 1.8899404647443256
Energy: 1.7832956901259578
Energy: 1.8899404647443256
Energy: 1.563528435583519
Energy: 1.8899404647443256
Energy: 1.749863747303266
Energy: 1.853997596303104
Energy: 1.5216432970281528
Energy: 1.853997596304028
Energy: 1.74986374730419
Energy: 1.853997596303104
Energy: 1.5556622417236197
Energy: 1.8537337758335344
Energy: 1.442114477725953
Energy: 1.8537337758335344
Energy: 1.5556622417236197
Energy: 1.8537337758335344

minimum gb energy = 1.4353049157106978 eV
minimum distance =  2.2801556140144 Angstroms
sigma value = 27


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

Energy: 1.369437045581811
Energy: 1.6656744769522982
Energy: 1.5359413921310345
Energy: 1.6656744769522982
Energy: 1.369437045581811
Energy: 1.6656744769520666
Energy: 1.3180980360623262
Energy: 1.5441952280977027
Energy: 1.3677807912849305
Energy: 1.544195228097934
Energy: 1.3180980360614258
Energy: 1.544195228097934
Energy: 1.3130872459065086
Energy: 2.1812571254868005
Energy: 1.353339266282428
Energy: 2.181257125487032
Energy: 1.3130872459069458
Energy: 2.1812571254868005
Energy: 1.6861706335722624
Energy: 1.6665408095752414
Energy: 1.6846019543540485
Energy: 1.6665408095752414
Energy: 1.686170633572494
Energy: 1.6665408095745726
Energy: 2.0068544166277036
Energy: 1.6657632934364348
Energy: 1.5578889168732615
Energy: 1.6657632934355342
Energy: 2.0068544166279354
Energy: 1.6657632934362032
Energy: 1.3352604765312506
Energy: 2.1244080524154794
Energy: 1.3904337536484515
Energy: 2.1244080524154794
Energy: 1.3352604765312506
Energy: 2.124408052415042
Energy: 1.368905422707361
Energy: 1.3369508741136806
Energy: 1.3521947987483367
Energy: 1.3369508741139122
Energy: 1.368905422707155
Energy: 1.336950874114118
Energy: 1.3768989589745475
Energy: 1.8184626230446483
Energy: 2.005851782147494
Energy: 1.8184626230446483
Energy: 1.376898958973647
Energy: 1.8184626230441852
Energy: 1.6849985040935094
Energy: 1.531523124759292
Energy: 1.34389923300837
Energy: 1.531523124759292
Energy: 1.684998504093715
Energy: 1.5315231247601924
Energy: 1.3351099692890072
Energy: 2.1446088429834362
Energy: 1.3351535298034591
Energy: 2.1446088429834362
Energy: 1.3351099692883124
Energy: 2.1446088429836414
Energy: 1.356529938696355
Energy: 1.5315626230965085
Energy: 1.6849979489287703
Energy: 1.531562623096946
Energy: 1.356529938696818
Energy: 1.531562623096946
Energy: 2.0054118813901867
Energy: 1.8185522981636864
Energy: 1.3720972650854408
Energy: 1.8185522981641493
Energy: 2.0054118813899553
Energy: 1.8185522981634548

minimum gb energy = 1.3130872459065086 eV
minimum distance =  2.28449446922295 Angstroms
sigma value = 9


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

Energy: 1.6987195459153863
Energy: 1.9760167760804672
Energy: 1.4664030858589956
Energy: 1.9760167760811034
Energy: 1.6987195459153863
Energy: 1.9760167760811034
Energy: 1.7930315507817105
Energy: 1.809495642612813
Energy: 1.4389456776860226
Energy: 1.8233002427407154
Energy: 1.7930315507823467
Energy: 1.809495642612813
Energy: 1.48820486570879
Energy: 1.9892438515879067
Energy: 1.492276776133387
Energy: 1.9892438515885429
Energy: 1.48820486570879
Energy: 1.9892438515885429
Energy: 1.3531225723270837
Energy: 1.9660480652172698
Energy: 1.6767767123038613
Energy: 1.9660480652179062
Energy: 1.3531225723277198
Energy: 1.9660480652179062
Energy: 1.429021429365568
Energy: 1.9669128306470542
Energy: 1.795165766825643
Energy: 1.9669128306470542
Energy: 1.429021429365568
Energy: 1.9669128306470542
Energy: 1.4673074899170464
Energy: 1.8831859548540373
Energy: 1.5546401575997724
Energy: 1.916532356759722
Energy: 1.4673074899170464
Energy: 1.8831859548540373
Energy: 1.7589270924387723
Energy: 1.813127123152367
Energy: 1.6011400762830588
Energy: 1.8131271231517307
Energy: 1.7589270924394087
Energy: 1.8131271231536392
Energy: 1.5678377139145032
Energy: 1.9111912028364717
Energy: 1.537645151575176
Energy: 1.9111912028364717
Energy: 1.5678377139151394
Energy: 1.9111912028364717
Energy: 1.5322624418421373
Energy: 1.851852394818605
Energy: 1.4944858382422173
Energy: 1.851852394818605
Energy: 1.532262441839593
Energy: 1.851852394818605
Energy: 1.6532768687409158
Energy: 1.943163889183529
Energy: 1.4267279537060167
Energy: 1.943163889183529
Energy: 1.6532768687409158
Energy: 1.9431638891841652
Energy: 1.7115182671858893
Energy: 1.7615597816533866
Energy: 1.478270900384309
Energy: 1.7615597816521145
Energy: 1.7115182671871616
Energy: 1.7615597816533866
Energy: 1.4331675597020537
Energy: 1.947218473496218
Energy: 1.4441114804288697
Energy: 1.9472184734955817
Energy: 1.4331675597020537
Energy: 1.947218473496218
Energy: 1.488915025383254
Energy: 1.8323387505089959
Energy: 1.7057745566412552
Energy: 1.8323387505089959
Energy: 1.4889150253826178
Energy: 1.832338750509632
Energy: 1.6322197468217237
Energy: 1.9450842065736589
Energy: 1.7013099498321875
Energy: 1.9450842065736589
Energy: 1.6322197468217237
Energy: 1.945084206574295
Energy: 1.4360143607451223
Energy: 1.9445086143698995
Energy: 1.5628576037560609
Energy: 1.9445086143698995
Energy: 1.4360143607451223
Energy: 1.9445086143705357
Energy: 1.559114687539069
Energy: 1.8293143358705304
Energy: 1.4443805491818467
Energy: 1.8293143358711665
Energy: 1.559114687539705
Energy: 1.8293143358698944
Energy: 1.65479397920636
Energy: 1.9417629020799938
Energy: 1.529062029335702
Energy: 1.9417629020780856
Energy: 1.6547939792057238
Energy: 1.9417629020787217
Energy: 1.7057601241654217
Energy: 1.8071483244401356
Energy: 1.4838667877900709
Energy: 1.8071483244401356
Energy: 1.7057601241654217
Energy: 1.8071483244401356
Energy: 1.5669531406723118
Energy: 1.9914134132751236
Energy: 1.461587139208661
Energy: 1.9914134132751236
Energy: 1.5669531406716755
Energy: 1.9914134132757595
Energy: 1.5414166211533071
Energy: 1.96402423652066
Energy: 1.5388146452863833
Energy: 1.96402423652066
Energy: 1.5414166211539433
Energy: 1.96402423652066
Energy: 1.4620684794396177
Energy: 1.991210544514144
Energy: 1.5669243995643407
Energy: 1.99121054451478
Energy: 1.4620684794402539
Energy: 1.991210544514144
Energy: 1.4835881463103562
Energy: 1.8079885459753664
Energy: 1.642017560163064
Energy: 1.8079885459753664
Energy: 1.4835881463103562
Energy: 1.8079885459779108
Energy: 1.5289918327610819
Energy: 1.95789429907438
Energy: 1.6549386777146913
Energy: 1.95789429907438
Energy: 1.5289918327610819
Energy: 1.9578942990737438
Energy: 1.444487945743702
Energy: 1.8354124011540838
Energy: 1.5554066017295531
Energy: 1.8354124011540838
Energy: 1.444487945743702
Energy: 1.8354124011547197
Energy: 1.5627362860363023
Energy: 1.9407343833011663
Energy: 1.4359736919530206
Energy: 1.9407343833011663
Energy: 1.5627362860388467
Energy: 1.9407343833018023
Energy: 1.7740584071654335
Energy: 1.9449745449448081
Energy: 1.6320917509866004
Energy: 1.9449745449448081
Energy: 1.7740584071660697
Energy: 1.944974544945444
Energy: 1.704390871998897
Energy: 1.8319796453764678
Energy: 1.4887737909837426
Energy: 1.8319796453764678
Energy: 1.7043908719995329
Energy: 1.8319796453777402
Energy: 1.444649065919543
Energy: 1.9476882837269487
Energy: 1.4332429786234133
Energy: 1.9476882837269487
Energy: 1.4446490659189068
Energy: 1.9476882837269487
Energy: 1.478785564549808
Energy: 1.7623986949825956
Energy: 1.7354007492585137
Energy: 1.7623986949819594
Energy: 1.478785564549808
Energy: 1.7623986949819594
Energy: 1.4267258449877551
Energy: 1.9431194023929987
Energy: 1.6531502582537065
Energy: 1.9431194023910907
Energy: 1.4267258449890272
Energy: 1.9431194023917264
Energy: 1.5246464586837243
Energy: 1.8518523948179688
Energy: 1.5328618823943032
Energy: 1.851852394818605
Energy: 1.5246464586830883
Energy: 1.851852394818605
Energy: 1.5372703397592247
Energy: 1.9086805122261035
Energy: 1.5678039800980301
Energy: 1.9086805122267396
Energy: 1.5372703397585885
Energy: 1.9086805122261035
Energy: 1.6011906652469372
Energy: 1.8148273364431589
Energy: 1.7588992330120448
Energy: 1.814827336443795
Energy: 1.6011906652475734
Energy: 1.814827336443795
Energy: 1.5533613288209536
Energy: 1.945723761585806
Energy: 1.467249465798287
Energy: 1.94572376158517
Energy: 1.5533613288209536
Energy: 1.945723761585806
Energy: 1.842976887772809
Energy: 1.9656953694253674
Energy: 1.4290638837511938
Energy: 1.9656953694253674
Energy: 1.842976887772809
Energy: 1.9656953694247312
Energy: 1.6771437477800542
Energy: 1.9661741371180879
Energy: 1.348129887518366
Energy: 1.9661741371180879
Energy: 1.677143747781326
Energy: 1.9661741371180879
Energy: 1.492817496965336
Energy: 1.9892639474253757
Energy: 1.4882531453330958
Energy: 1.9892639474260114
Energy: 1.4928174969647
Energy: 1.9892639474253757
Energy: 1.4394973086603058
Energy: 1.769556238426543
Energy: 1.7926553400701226
Energy: 1.7695562384271792
Energy: 1.4394973086596696
Energy: 1.769556238426543
Energy: 1.504044106091371
Energy: 1.9760167760811034
Energy: 1.6987195459153863
Energy: 1.9760167760804672
Energy: 1.504044106091371
Energy: 1.9760167760804672
Energy: 1.4389456776790255
Energy: 1.809495642611541
Energy: 1.7930315507810743
Energy: 1.8094956426096327
Energy: 1.4389456776802976
Energy: 1.809495642611541
Energy: 1.4922767761327511
Energy: 1.9892438515879067
Energy: 1.48820486570879
Energy: 1.9892438515879067
Energy: 1.4922767761327511
Energy: 1.9892438515885429
Energy: 1.6767767123032251
Energy: 1.9660480652172698
Energy: 1.3531225723283562
Energy: 1.9660480652172698
Energy: 1.6767767123032251
Energy: 1.9660480652172698
Energy: 1.7448551618370896
Energy: 1.9669128306470542
Energy: 1.4290214293662042
Energy: 1.9669128306470542
Energy: 1.7448551618377257
Energy: 1.9669128306470542

minimum gb energy = 1.348129887518366 eV
minimum distance =  2.23306073181025 Angstroms
sigma value = 57


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

Energy: 1.655184764742102
Energy: 1.7344621334174495
Energy: 1.3268900775212453
Energy: 1.7344621334174495
Energy: 1.655184764742102
Energy: 1.7344621334174495
Energy: 2.023939064450022
Energy: 1.73266636225404
Energy: 1.4196047307122763
Energy: 1.73266636225404
Energy: 2.023939064450022
Energy: 1.7326663622525917
Energy: 1.4225611707559769
Energy: 1.7954579787061862
Energy: 1.3896585794940042
Energy: 1.7954579787061862
Energy: 1.4225611707559769
Energy: 1.7954579787061862
Energy: 1.3909447374463524
Energy: 1.852510281613601
Energy: 1.6649488409851307
Energy: 1.852510281613601
Energy: 1.3909447374463524
Energy: 1.852510281613601
Energy: 1.264479304413434
Energy: 1.690935679423124
Energy: 1.6560565292986908
Energy: 1.690935679423124
Energy: 1.264479304413434
Energy: 1.690935679423124
Energy: 1.7899312740154354
Energy: 1.8168059847922768
Energy: 1.6498366789088836
Energy: 1.8168059847922768
Energy: 1.7899312740154354
Energy: 1.8168059847922768
Energy: 1.8095669634199882
Energy: 1.9031005101091252
Energy: 1.5410177298005807
Energy: 1.9031005101091252
Energy: 1.8095669634214362
Energy: 1.9031005101091252
Energy: 1.2645733265084629
Energy: 1.6715307735235383
Energy: 1.5462020145640898
Energy: 1.6715307735235383
Energy: 1.2645733265084629
Energy: 1.6715307735235383
Energy: 1.3778253813750012
Energy: 1.7568382702152485
Energy: 1.670154646153082
Energy: 1.7568382702152485
Energy: 1.3778253813750012
Energy: 1.7568382702152485
Energy: 1.362730674133526
Energy: 1.8121745689810924
Energy: 1.40760542504854
Energy: 1.8121745689810924
Energy: 1.362730674133526
Energy: 1.8121745689810924
Energy: 1.9595736578504628
Energy: 1.73266636225404
Energy: 1.4359906972951688
Energy: 1.73266636225404
Energy: 1.9595736578490148
Energy: 1.7326663622525917
Energy: 1.6551847647406541
Energy: 1.7344621334174495
Energy: 1.3268900775212453
Energy: 1.7344621334174495
Energy: 1.6551847647406541
Energy: 1.7344621334174495
Energy: 2.023939064450022
Energy: 1.73266636225404
Energy: 1.4196047307122763
Energy: 1.73266636225404
Energy: 2.023939064450022
Energy: 1.73266636225404
Energy: 1.4225611707559769
Energy: 1.7954579787061862
Energy: 1.3896585794925562
Energy: 1.7954579787061862
Energy: 1.4225611707559769
Energy: 1.7954579787061862
Energy: 1.3909447374463524
Energy: 1.852510281613601
Energy: 1.5621341853494575
Energy: 1.852510281613601
Energy: 1.3909447374463524
Energy: 1.8525102816150159
Energy: 1.264479304413434
Energy: 1.690935679423124
Energy: 1.7773177178820367
Energy: 1.690935679423124
Energy: 1.264479304413434
Energy: 1.690935679423124
Energy: 1.7899312740154354
Energy: 1.8168059847922768
Energy: 1.6498366789088836
Energy: 1.8168059847922768
Energy: 1.7899312740154354
Energy: 1.8168059847922768
Energy: 1.8095669634214362
Energy: 1.9031005101091252
Energy: 1.5410177298020287
Energy: 1.9031005101091252
Energy: 1.8095669634214362
Energy: 1.9031005101091252
Energy: 1.2645733265099104
Energy: 1.6715307735235383
Energy: 1.5423974839562964
Energy: 1.6715307735235383
Energy: 1.2645733265099104
Energy: 1.6715307735235383

minimum gb energy = 1.264479304413434 eV
minimum distance =  2.25952996230285 Angstroms
sigma value = 11


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

Energy: 1.2838608678269137
Energy: 1.814870022361248
Energy: 1.312993360200427
Energy: 1.8148700223623087
Energy: 1.283860867825901
Energy: 1.814870022361248
Energy: 1.8587319362567096
Energy: 1.5857749668478058
Energy: 1.4160451904075875
Energy: 1.5857749668478058
Energy: 1.8587319362567096
Energy: 1.5857749668467451
Energy: 1.275323936362938
Energy: 1.323769278721057
Energy: 1.2914130352083866
Energy: 1.323769278721057
Energy: 1.275323936362938
Energy: 1.323769278721057
Energy: 1.4994837015426699
Energy: 1.4033177582622332
Energy: 1.2921249194671391
Energy: 1.4033177582643546
Energy: 1.4994837015405487
Energy: 1.4033177582601117
Energy: 1.3738888403033676
Energy: 1.831109267626364
Energy: 1.2721340560575343
Energy: 1.831109267626364
Energy: 1.3738888403033676
Energy: 1.8311092676274248
Energy: 1.1381697120703596
Energy: 1.732106736025954
Energy: 1.4303129935281977
Energy: 1.732106736025954
Energy: 1.138169712072481
Energy: 1.732106736025954
Energy: 1.137973087491747
Energy: 1.4867922137515297
Energy: 1.4314863071175166
Energy: 1.4867922137515297
Energy: 1.137973087491747
Energy: 1.4867922137494085
Energy: 1.5928001041272033
Energy: 1.8451537452128846
Energy: 1.4246648828053812
Energy: 1.8451537452128846
Energy: 1.5928001041272033
Energy: 1.8451537452128846
Energy: 1.5913463786387787
Energy: 1.826806585490738
Energy: 1.5796054416289023
Energy: 1.826806585490738
Energy: 1.5913463786387787
Energy: 1.826806585490738
Energy: 1.139469079990764
Energy: 1.4856517989085471
Energy: 1.4542882768647871
Energy: 1.4856517989117293
Energy: 1.1394690799918246
Energy: 1.4856517989106686
Energy: 1.2516717225130802
Energy: 1.6903408883528555
Energy: 1.4111100744991159
Energy: 1.6903408883517947
Energy: 1.2516717225141412
Energy: 1.6903408883517947
Energy: 1.359489029287379
Energy: 1.8298271707945617
Energy: 1.294128674904331
Energy: 1.8298271707945617
Energy: 1.3594890292884396
Energy: 1.829827170793501
Energy: 1.5909575950978785
Energy: 1.320517186827566
Energy: 1.2095820681709284
Energy: 1.320517186827566
Energy: 1.5909575950989392
Energy: 1.3205171868286267
Energy: 1.2778054753380574
Energy: 1.3234187519928693
Energy: 1.304301318296061
Energy: 1.3234187519865053
Energy: 1.2778054753380574
Energy: 1.323418751990748
Energy: 1.8573447825819245
Energy: 1.5861008793369176
Energy: 1.4147076953204119
Energy: 1.5861008793358573
Energy: 1.8573447825829854
Energy: 1.5861008793369176
Energy: 1.2853032891346432
Energy: 1.8166029606478638
Energy: 1.5714897285149783
Energy: 1.8166029606478638
Energy: 1.2853032891346432
Energy: 1.8166029606478638
Energy: 1.8506172248289094
Energy: 1.5663848061647012
Energy: 1.340705531686706
Energy: 1.5663848061647012
Energy: 1.8506172248320916
Energy: 1.5663848061636405
Energy: 1.2777905739585635
Energy: 1.324001158061625
Energy: 1.2802970066126198
Energy: 1.3240011580573827
Energy: 1.2777905739585635
Energy: 1.3240011580648074
Energy: 1.5013303292171982
Energy: 1.6132276390089018
Energy: 1.2921717110642958
Energy: 1.6132276390120839
Energy: 1.5013303292171982
Energy: 1.6132276390099625
Energy: 1.3600077388246574
Energy: 1.7530042382911537
Energy: 1.3466665398788487
Energy: 1.7530042382911537
Energy: 1.3600077388246574
Energy: 1.7530042382932751
Energy: 1.5392397941054403
Energy: 1.7031049402603953
Energy: 1.3868887911383723
Energy: 1.7031049402603953
Energy: 1.5392397941043796
Energy: 1.7031049402603953
Energy: 1.139523597241927
Energy: 1.531301398094504
Energy: 1.3495604914951758
Energy: 1.5313013980934436
Energy: 1.139523597241927
Energy: 1.531301398094504
Energy: 1.5922831743363943
Energy: 1.7779653887799942
Energy: 1.428273834711891
Energy: 1.7779653887821152
Energy: 1.592283174339528
Energy: 1.7779653887810547
Energy: 1.366119636713859
Energy: 1.801321730945455
Energy: 1.8029888537414853
Energy: 1.801321730945455
Energy: 1.3661196367127983
Energy: 1.801321730945455
Energy: 1.2255645757168572
Energy: 1.4345099886344659
Energy: 1.4014485156837886
Energy: 1.4345099886334052
Energy: 1.2255645757157965
Energy: 1.4345099886387087
Energy: 1.25195821403896
Energy: 1.7703607827959464
Energy: 1.448467081908476
Energy: 1.7703607827959464
Energy: 1.25195821403896
Energy: 1.7703607827959464

minimum gb energy = 1.137973087491747 eV
minimum distance =  2.25458574478014 Angstroms
sigma value = 41


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

Energy: 1.6732188443516636
Energy: 1.6432144706003255
Energy: 1.2516106688257456
Energy: 1.6432144706003255
Energy: 1.6732188443516636
Energy: 1.6432144706003255
Energy: 2.0547593964473183
Energy: 1.4651195908088668
Energy: 1.2741084891520678
Energy: 1.4651195908088668
Energy: 2.0547593964489903
Energy: 1.4651195908088668
Energy: 1.1571573218137874
Energy: 1.6372001342129556
Energy: 1.2954142762243868
Energy: 1.6372001342129556
Energy: 1.1571573218137874
Energy: 1.6372001342121199
Energy: 1.7548810639349033
Energy: 1.2125512301541277
Energy: 1.195549229148654
Energy: 1.2125512301516197
Energy: 1.7548810639349033
Energy: 1.212551230140752
Energy: 1.1496132578831122
Energy: 1.3973643139757355
Energy: 1.1728650411850827
Energy: 1.3973643139757355
Energy: 1.1496132578831122
Energy: 1.3973643139757355
Energy: 1.4543872223825463
Energy: 1.5075275950447178
Energy: 1.292594653237401
Energy: 1.5075275950438818
Energy: 1.4543872223825463
Energy: 1.5075275950447178
Energy: 1.2353876307011262
Energy: 1.618529010547967
Energy: 1.2925752890925566
Energy: 1.618529010547967
Energy: 1.2353876307019622
Energy: 1.618529010547967
Energy: 1.470772651497815
Energy: 1.6025785624791204
Energy: 1.281917392664983
Energy: 1.6025785624824265
Energy: 1.470772651496979
Energy: 1.6025785624799564
Energy: 1.0687535308690688
Energy: 1.5214183835906705
Energy: 1.4193839068327598
Energy: 1.5214183835906705
Energy: 1.0687535308690688
Energy: 1.5214183835906705
Energy: 1.4560893739176426
Energy: 1.6069444966513968
Energy: 1.6109516202462655
Energy: 1.6069444966513968
Energy: 1.4560893739176426
Energy: 1.6069444966513968
Energy: 1.4176437720298434
Energy: 1.6028451466148248
Energy: 1.7203114153789358
Energy: 1.6028451466156608
Energy: 1.4176437720298434
Energy: 1.6028451466148248
Energy: 1.0690277924555578
Energy: 1.6226816218790752
Energy: 1.2893534489330465
Energy: 1.6226816218790752
Energy: 1.0690277924555578
Energy: 1.6272494655052778
Energy: 1.143595881713557
Energy: 1.5281788744259919
Energy: 1.4031035556926998
Energy: 1.5281788744268279
Energy: 1.143595881713557
Energy: 1.5281788744268279
Energy: 1.2270305089700226
Energy: 1.6142682287522625
Energy: 1.292436044445306
Energy: 1.6142682287522625
Energy: 1.2270305089700226
Energy: 1.6142682287530985
Energy: 1.4126038270649202
Energy: 1.6036308607359115
Energy: 1.3028935892083957
Energy: 1.6036308607359115
Energy: 1.4126038270649202
Energy: 1.6036308607359115
Energy: 1.1497862609179674
Energy: 1.6405932763173794
Energy: 1.200817894572049
Energy: 1.6405932763182154
Energy: 1.1497862609179674
Energy: 1.6405932763173794
Energy: 1.5647815170683408
Energy: 1.5409890248969116
Energy: 1.156139216570176
Energy: 1.5409890248977474
Energy: 1.564781517069177
Energy: 1.5409890248969116
Energy: 1.2412528773438394
Energy: 1.6036268091277508
Energy: 1.2275595861898871
Energy: 1.6036268091277508
Energy: 1.2412528773446756
Energy: 1.6036268091277508
Energy: 2.0214252333927925
Energy: 1.4478379813934736
Energy: 1.1961789671008964
Energy: 1.4478379813934736
Energy: 2.0214252333927925
Energy: 1.4478379813943096
Energy: 1.6542081046645725
Energy: 1.6377624043703303
Energy: 1.4216670252417796
Energy: 1.6377624043703303
Energy: 1.6542081046645725
Energy: 1.6377624043703303
Energy: 1.8149368856158778
Energy: 1.465757215246641
Energy: 1.1551307202458825
Energy: 1.465757215246641
Energy: 1.8149368856150416
Energy: 1.465757215246641
Energy: 1.2412332666969825
Energy: 1.6059173072514605
Energy: 1.19048116326205
Energy: 1.6059173072514605
Energy: 1.2412332666978185
Energy: 1.6059173072514605
Energy: 1.8480363340282224
Energy: 1.4576014835098088
Energy: 1.2261900931093286
Energy: 1.4576014835081368
Energy: 1.8480363340282224
Energy: 1.4576014835081368
Energy: 1.1499111654652368
Energy: 1.3331894908825836
Energy: 1.229359953367657
Energy: 1.3331894908825836
Energy: 1.1499111654652368
Energy: 1.3331894908825836
Energy: 1.2840219290253172
Energy: 1.553092904632514
Energy: 1.2371408674728717
Energy: 1.553092904632514
Energy: 1.2840219290253172
Energy: 1.553092904632514
Energy: 1.2270333015098163
Energy: 1.5148996723064072
Energy: 1.3249044811419404
Energy: 1.5148996723064072
Energy: 1.2270333015098163
Energy: 1.5148996723064072
Energy: 1.470683187727784
Energy: 1.5571662938066233
Energy: 1.2416341553783354
Energy: 1.5571662938057873
Energy: 1.470683187727784
Energy: 1.5571662938057873
Energy: 1.1428154335819725
Energy: 1.4277734719112627
Energy: 1.594881982721338
Energy: 1.427773471912099
Energy: 1.1428154335819725
Energy: 1.4277734719112627
Energy: 1.4558159194207525
Energy: 1.6200102436654604
Energy: 1.7028336563788387
Energy: 1.6200102436662964
Energy: 1.4558159194207525
Energy: 1.6200102436662964
Energy: 1.1951046314650977
Energy: 1.6135852709803118
Energy: 1.7052827042910657
Energy: 1.6135852709803118
Energy: 1.1951046314650977
Energy: 1.6135852709803118
Energy: 1.1402897180328526
Energy: 1.560931264141248
Energy: 1.2409731741593668
Energy: 1.56093126414292
Energy: 1.1402897180311808
Energy: 1.560931264142084
Energy: 1.1442112462699667
Energy: 1.5757671248254719
Energy: 1.568017844609749
Energy: 1.5757671248263077
Energy: 1.1442112462699667
Energy: 1.5757671248254719
Energy: 1.1413777596201522
Energy: 1.5851221055910845
Energy: 1.2373686650072389
Energy: 1.5851221055910845
Energy: 1.1413777596209882
Energy: 1.5851221055910845

minimum gb energy = 1.0687535308690688 eV
minimum distance =  2.2528670754717 Angstroms
sigma value = 33


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

Energy: 1.4672180666117378
Energy: 1.4451022138551453
Energy: 1.1310531042595418
Energy: 1.4451022138545584
Energy: 1.4672180666134982
Energy: 1.4451022138557317
Energy: 1.9388328437553668
Energy: 1.253536924386833
Energy: 1.0411127178408042
Energy: 1.2535369243880061
Energy: 1.9388328437553668
Energy: 1.253536924388593
Energy: 1.364281621924381
Energy: 1.4194539047416677
Energy: 1.1401557582736093
Energy: 1.4194539047416677
Energy: 1.364281621924381
Energy: 1.4194539047416677
Energy: 1.8383750274624155
Energy: 1.1832448256986574
Energy: 1.0474622443747172
Energy: 1.1832448256980708
Energy: 1.8383750274630024
Energy: 1.1832448256986574
Energy: 1.1427674308769642
Energy: 1.411093906468287
Energy: 1.1813929290293905
Energy: 1.4110939064688737
Energy: 1.1427674308769642
Energy: 1.411093906468287
Energy: 1.5804590286108522
Energy: 1.3113136497274755
Energy: 1.0723292878374744
Energy: 1.311313649725129
Energy: 1.5804590286114388
Energy: 1.311313649728649
Energy: 1.0080904500378234
Energy: 1.3496703115792328
Energy: 1.159665888313593
Energy: 1.3496703115780593
Energy: 1.0080904500384098
Energy: 1.349670311578646
Energy: 1.4332130032360328
Energy: 1.3562397917886853
Energy: 1.1432426267918039
Energy: 1.3562397917880986
Energy: 1.4332130032354462
Energy: 1.3562397917892717
Energy: 1.0684117755481533
Energy: 1.3914003947051223
Energy: 1.216449642735785
Energy: 1.391400394704536
Energy: 1.0684117755469797
Energy: 1.3914003947051223
Energy: 1.302171182921986
Energy: 1.3824912848099897
Energy: 1.2927425687716603
Energy: 1.382491284811163
Energy: 1.302171182921399
Energy: 1.3824912848099897
Energy: 1.0676138489047466
Energy: 1.3495377468947602
Energy: 1.396951695821295
Energy: 1.3495377468947602
Energy: 1.06761384890416
Energy: 1.3495377468953471
Energy: 1.5517712559153474
Energy: 1.3681456209373821
Energy: 1.3899576359864676
Energy: 1.3681456209397291
Energy: 1.551771255915934
Energy: 1.368145620936209
Energy: 1.2457538805158943
Energy: 1.3939205594551418
Energy: 1.4848148736495836
Energy: 1.3939205594557287
Energy: 1.2457538805153077
Energy: 1.3939205594557287
Energy: 1.2315007503903932
Energy: 1.3845077577446494
Energy: 1.6170415237174272
Energy: 1.3845077577440628
Energy: 1.2315007503903932
Energy: 1.3845077577446494
Energy: 1.2020289258398835
Energy: 1.367266702005392
Energy: 1.708891466483906
Energy: 1.367266702005392
Energy: 1.2020289258392969
Energy: 1.367266702005392
Energy: 1.1914941955219975
Energy: 1.4095731682878527
Energy: 1.3918387484887418
Energy: 1.4095731682878527
Energy: 1.1914941955214107
Energy: 1.4095731682884394
Energy: 1.2742236810719196
Energy: 1.369345023045941
Energy: 1.476078301439914
Energy: 1.3693450230465276
Energy: 1.2742236810695728
Energy: 1.369345023045941
Energy: 1.0667606131974916
Energy: 1.412365147738101
Energy: 1.382624637934538
Energy: 1.4123651477386876
Energy: 1.0667606131974916
Energy: 1.412365147738101
Energy: 1.2790908131147347
Energy: 1.3541397910582842
Energy: 1.4029647642820067
Energy: 1.3541397910576973
Energy: 1.2790908131147347
Energy: 1.3541397910576973
Energy: 1.068944631011273
Energy: 1.412199405110214
Energy: 1.1220558071195412
Energy: 1.4121994051096272
Energy: 1.068944631011273
Energy: 1.412199405110214
Energy: 1.272503818306899
Energy: 1.364922618305611
Energy: 1.241942510765931
Energy: 1.364922618305611
Energy: 1.272503818297512
Energy: 1.364922618305611
Energy: 1.0707981134043303
Energy: 1.4151117334451118
Energy: 1.1112033408586985
Energy: 1.4151117334456986
Energy: 1.0707981134043303
Energy: 1.4151117334456986
Energy: 1.5523311694969673
Energy: 1.349833827538117
Energy: 1.0546535825326606
Energy: 1.349833827538117
Energy: 1.5523311694975541
Energy: 1.3498338275375301
Energy: 1.0846447710940805
Energy: 1.4071531867257547
Energy: 1.0826310314349448
Energy: 1.407153186725168
Energy: 1.0846447710911469
Energy: 1.4071531867257547
Energy: 1.637357068614135
Energy: 1.3066161817865798
Energy: 1.1093575847854942
Energy: 1.3066161817865798
Energy: 1.637357068614135
Energy: 1.306616181785993
Energy: 1.3982703020255012
Energy: 1.3930499144951523
Energy: 1.0406638940247905
Energy: 1.3930499144963255
Energy: 1.3982703020255012
Energy: 1.393049914495739
Energy: 1.902102006650494
Energy: 1.2872629010494294
Energy: 0.9844864663877096
Energy: 1.2872629010494294
Energy: 1.902102006650494
Energy: 1.2872629010494294
Energy: 1.4164980075889662
Energy: 1.417943788577728
Energy: 1.2378682502296676
Energy: 1.4179437885771413
Energy: 1.4164980075918996
Energy: 1.4179437885771413
Energy: 1.6459272403043264
Energy: 1.3156828489477612
Energy: 1.1096371982852495
Energy: 1.3156828489483479
Energy: 1.6459272403049128
Energy: 1.3156828489483479
Energy: 1.3982929758138285
Energy: 1.4057484157018776
Energy: 1.2362800753731917
Energy: 1.405748415701291
Energy: 1.398292975814415
Energy: 1.4057484157018776
Energy: 1.610502206528829
Energy: 1.2239196559490564
Energy: 1.0671125194002546
Energy: 1.2239196559478829
Energy: 1.6105022065282422
Energy: 1.223919655949643
Energy: 1.0842266836500412
Energy: 1.3631784653422585
Energy: 1.231402614474109
Energy: 1.3631784653428451
Energy: 1.0842266836535615
Energy: 1.3631784653428451
Energy: 1.3436718692200138
Energy: 1.3099906220589648
Energy: 1.0681070933806325
Energy: 1.3099906220589648
Energy: 1.3436718692194272
Energy: 1.309990622058378
Energy: 1.0705967727096328
Energy: 1.3097315251315136
Energy: 1.4451543805653149
Energy: 1.309731525132687
Energy: 1.0705967727084593
Energy: 1.309731525132687
Energy: 1.4452509895633048
Energy: 1.3098096263153658
Energy: 1.0706387142119052
Energy: 1.3098096263124324
Energy: 1.4452509895627181
Energy: 1.3098096263130192
Energy: 1.0682176858072763
Energy: 1.3100051092193488
Energy: 1.3437685010974425
Energy: 1.3100051092193488
Energy: 1.0682176858072763
Energy: 1.3100051092193488
Energy: 1.231555572394367
Energy: 1.3618461255918617
Energy: 1.0842128136018252
Energy: 1.361846125591275
Energy: 1.2315555723931937
Energy: 1.3618461255906882
Energy: 1.0670937100925222
Energy: 1.223471642622212
Energy: 1.6104938547645602
Energy: 1.223471642622799
Energy: 1.067093710093109
Energy: 1.2234716426216254
Energy: 1.2362800753696714
Energy: 1.4058484522797905
Energy: 1.3982073738856988
Energy: 1.4058484522797905
Energy: 1.2362800753696714
Energy: 1.4058484522797905
Energy: 1.1921638277076891
Energy: 1.3158259483327261
Energy: 1.646067713827757
Energy: 1.3158259483333126
Energy: 1.1921638277082753
Energy: 1.3158259483333126
Energy: 1.2378603042354561
Energy: 1.417900616727572
Energy: 1.4166108721708868
Energy: 1.417900616727572
Energy: 1.2378603042372163
Energy: 1.4179006167269854
Energy: 0.9847567412684746
Energy: 1.2870240508474944
Energy: 1.9027299462453289
Energy: 1.2870240508474944
Energy: 0.9847567412684746
Energy: 1.2870240508474944
Energy: 1.0406561952171955
Energy: 1.3932416709160174
Energy: 1.3982956918086054
Energy: 1.3932416709160174
Energy: 1.0406561952166087
Energy: 1.3932416709160174
Energy: 1.2972019458743955
Energy: 1.3068284106083299
Energy: 1.6372196321714854
Energy: 1.3068284106106764
Energy: 1.2972019458749822
Energy: 1.3068284106089167
Energy: 1.1039795691022682
Energy: 1.4065999746307623
Energy: 1.2113614790734601
Energy: 1.4065999746325224
Energy: 1.1039795691016818
Energy: 1.4065999746319355
Energy: 1.0540450920466464
Energy: 1.349833827539877
Energy: 1.5505435690684217
Energy: 1.3498338275387036
Energy: 1.0540450920472328
Energy: 1.3498338275392905
Energy: 1.111124973771875
Energy: 1.415296015404282
Energy: 1.0706201571090186
Energy: 1.415296015404282
Energy: 1.111124973771875
Energy: 1.4152960154048686

minimum gb energy = 0.9844864663877096 eV
minimum distance =  2.29956220344912 Angstroms
sigma value = 67


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

Energy: 0.2769463762152269
Energy: 0.2779201055179091
Energy: 0.8875681870169918
Energy: 0.2779201055179091
Energy: 0.2769463762160066
Energy: 0.2779201055179091
Energy: 0.2930575385509583
Energy: 0.8521756674363418
Energy: 0.7188706534094583
Energy: 0.8521756674367428
Energy: 0.2930575385513593
Energy: 0.8521756674363418
Energy: 0.2769463762152269
Energy: 0.2779201055175303
Energy: 0.8875681870205119
Energy: 0.2779201055179091
Energy: 0.27694637621560564
Energy: 0.2779201055175303
Energy: 0.2930575385517381
Energy: 0.8521756674363418
Energy: 0.7188706534094583
Energy: 0.8521756674370993
Energy: 0.2930575385517381
Energy: 0.8521756674363418
Energy: 0.27694637621560564
Energy: 0.2779201055175303
Energy: 1.459792281845292
Energy: 0.2779201055175303
Energy: 0.2769463762152269
Energy: 0.2779201055175303
Energy: 0.2930575385517381
Energy: 0.8521756674367428
Energy: 0.7188706534098593
Energy: 0.8521756674367428
Energy: 0.2930575385513593
Energy: 0.8521756674363418
Energy: 0.2769463762152269
Energy: 0.2779201055179091
Energy: 1.7578086385226832
Energy: 0.2779201055175303
Energy: 0.2769463762148259
Energy: 0.2779201055179091

minimum gb energy = 0.2769463762148259 eV
minimum distance =  2.46923840808434 Angstroms
sigma value = 3


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

Energy: 1.6479652430409533
Energy: 1.296113260639188
Energy: 1.2189411061364939
Energy: 1.296113260639188
Energy: 1.6479652430409533
Energy: 1.2961132606386547
Energy: 1.9086386359520395
Energy: 0.9412366961702606
Energy: 0.9505272474803492
Energy: 0.9412366961697272
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Energy: 1.1104116356278781
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Energy: 0.9611947356720781
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Energy: 1.5322508498940575
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Energy: 0.9795154873730307
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Energy: 1.532250849894591
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Energy: 1.455904637831555
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Energy: 0.9543769773330346
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Energy: 1.4559046378384919
Energy: 1.2781233436552482
Energy: 1.4845681663379124
Energy: 1.2925720636553462
Energy: 1.146211741283813
Energy: 1.2925720636548126
Energy: 1.484568166342715
Energy: 1.2925720636553462
Energy: 1.5076045081298366
Energy: 1.2933599799636095
Energy: 0.9259269862462716
Energy: 1.2933599799625426
Energy: 1.5076045081191647
Energy: 1.2933599799625426
Energy: 1.7468467634016525
Energy: 1.3000774537635142
Energy: 0.9277763401841747
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Energy: 1.267547292964684
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Energy: 1.2675472929705536
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Energy: 1.2720782213061868
Energy: 0.9823906362077659
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Energy: 1.2907768081814055
Energy: 1.2720782213077877
Energy: 1.478198712015421
Energy: 1.30493030091448
Energy: 0.9802294163051877
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Energy: 1.478198712015421
Energy: 1.30493030091448
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Energy: 1.2439090012184817
Energy: 1.2059520502191574
Energy: 1.243909001216881
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Energy: 1.2439090012174145
Energy: 1.2155291089134117
Energy: 1.2715081673880158
Energy: 0.9791528223718272
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Energy: 1.2155291089139453
Energy: 1.271508167387482
Energy: 0.9987960112747074
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Energy: 1.189249493257675
Energy: 1.2483130342566962
Energy: 0.9987960112736403
Energy: 1.2483130342572297
Energy: 1.2715962502867348
Energy: 1.3048310402949124
Energy: 1.2998136653095704
Energy: 1.3048310402949124
Energy: 1.2715962502867348
Energy: 1.3048310402949124
Energy: 0.9605214393242739
Energy: 1.1932149398302656
Energy: 1.4346669284873488
Energy: 1.1932149398307992
Energy: 0.9605214393237403
Energy: 1.1932149398302656
Energy: 1.0381178582532937
Energy: 1.2359755698727892
Energy: 1.306093790258265
Energy: 1.2359755698727892
Energy: 1.0381178582532937
Energy: 1.2359755698733228
Energy: 0.9578945960235908
Energy: 1.2700517915312333
Energy: 1.4625419943676345
Energy: 1.2700517915306997
Energy: 0.9578945960235908
Energy: 1.2700517915312333
Energy: 1.1662752487208492
Energy: 1.2650298876114139
Energy: 1.5968429594064164
Energy: 1.2650298876108803
Energy: 1.1662752487224017
Energy: 1.2650298876108803
Energy: 0.9580804636814501
Energy: 0.9387188120871076
Energy: 1.6296242606280955
Energy: 0.9387188120871076
Energy: 0.9580804636814501
Energy: 0.9387188120865739
Energy: 0.9639094677460044
Energy: 1.285972945421261
Energy: 1.5993179844784966
Energy: 1.285972945422328
Energy: 0.9639094677454708
Energy: 1.285972945421261
Energy: 0.9573708238861063
Energy: 1.0947492566670383
Energy: 1.7379229327272898
Energy: 1.0947492566675718
Energy: 0.9573708238861063
Energy: 1.0947492566675718
Energy: 0.9649203528463701
Energy: 1.2702641234690717
Energy: 1.5968473975709099
Energy: 1.2702641234696053
Energy: 0.9649203528463701
Energy: 1.2702641234696053
Energy: 0.9149639735371133
Energy: 0.9483132455800822
Energy: 1.6437647567720215
Energy: 0.9483132455816831
Energy: 0.9149639735376469
Energy: 0.9483132455811494
Energy: 1.1540599466195314
Energy: 1.2340247087890308
Energy: 1.3062074232274383
Energy: 1.2340247087879637
Energy: 1.1540599466195314
Energy: 1.2340247087890308
Energy: 0.9731919702903304
Energy: 1.230602694017417
Energy: 1.491570657862018
Energy: 1.2306026940147488
Energy: 0.9731919702897969
Energy: 1.2306026940147488
Energy: 1.337619597341307
Energy: 1.2288534049751285
Energy: 1.2990556059742877
Energy: 1.228853404973528
Energy: 1.3376195973418405
Energy: 1.2288534049740614

minimum gb energy = 0.9125544466176664 eV
minimum distance =  2.26728790428412 Angstroms
sigma value = 81


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

Energy: 1.7026810216479287
Energy: 1.4742488902370117
Energy: 1.3144560855931648
Energy: 1.474248890237744
Energy: 1.702681021648661
Energy: 1.4742488902370117
Energy: 1.9146267907329468
Energy: 1.0515340106617226
Energy: 1.0672163267141854
Energy: 1.0515340106624549
Energy: 1.9146267907329468
Energy: 1.0515340106602578
Energy: 1.6120495931064303
Energy: 1.4429136243740819
Energy: 1.3472496204889468
Energy: 1.4429136243740819
Energy: 1.6120495931064303
Energy: 1.4429136243740819
Energy: 1.7719641818066942
Energy: 1.130820601142683
Energy: 1.0941734842879678
Energy: 1.1308206011419504
Energy: 1.7719641818074265
Energy: 1.130820601142683
Energy: 1.2326775431564965
Energy: 1.4355699566832796
Energy: 1.3632309744561804
Energy: 1.4355699566832796
Energy: 1.2326775431564965
Energy: 1.435569956682547
Energy: 1.6148554186589306
Energy: 1.4118050732620349
Energy: 1.224629542021377
Energy: 1.4118050732620349
Energy: 1.614855418658198
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Energy: 1.215334460326927
Energy: 1.4475093727910073
Energy: 1.3343239220710614
Energy: 1.4475093727910073
Energy: 1.215334460326927
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Energy: 1.4436745185061648
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Energy: 1.302215420324364
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Energy: 1.1786730171017776
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Energy: 1.0437962139818933
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Energy: 1.0510756042112666
Energy: 1.4562677214745072
Energy: 1.5668771043270453
Energy: 1.4562677214752395
Energy: 1.0510756042112666
Energy: 1.4562677214737747
Energy: 1.0550770726780387
Energy: 1.3773461820428712
Energy: 1.6216675593921808
Energy: 1.3773461820428712
Energy: 1.0550770726787706
Energy: 1.3773461820421389
Energy: 1.239708270533835
Energy: 1.43878732177576
Energy: 1.5095962567911296
Energy: 1.4387873217750276
Energy: 1.239708270533835
Energy: 1.4387873217750276
Energy: 1.1620154867419696
Energy: 1.408176056219108
Energy: 1.5056619842780088
Energy: 1.4081760562183756
Energy: 1.1620154867419696
Energy: 1.4081760562183756
Energy: 1.178810467534785
Energy: 1.4656650390794874
Energy: 1.2439080011661854
Energy: 1.4656650390802197
Energy: 1.178810467534785
Energy: 1.4656650390802197
Energy: 1.1883106860522064
Energy: 1.4609370326694802
Energy: 1.5261734076088918
Energy: 1.4609370326702127
Energy: 1.1883106860522064
Energy: 1.4609370326694802
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Energy: 1.4285972790740624
Energy: 1.2228637718680422
Energy: 1.428597279074795
Energy: 1.3647873818780774
Energy: 1.4285972790740624
Energy: 1.542357402925389
Energy: 1.4960895286044193
Energy: 1.1924589891533808
Energy: 1.496089528603687
Energy: 1.542357402925389
Energy: 1.4960895286044193
Energy: 1.5014216672833176
Energy: 1.4898531046678223
Energy: 1.0914445347152864
Energy: 1.4898531046685548
Energy: 1.50142166728405
Energy: 1.4898531046685548
Energy: 1.5516582817679243
Energy: 1.491925070923591
Energy: 1.3185669628500278
Energy: 1.491925070923591
Energy: 1.5516582817679243
Energy: 1.4919250709243232
Energy: 1.7236335177405573
Energy: 1.3976148531298342
Energy: 1.0532012225360827
Energy: 1.3976148531298342
Energy: 1.7236335177420221
Energy: 1.3976148531291017
Energy: 1.7174129697769307
Energy: 1.455195687387202
Energy: 1.0477705682123308
Energy: 1.455195687387202
Energy: 1.7174129697769307
Energy: 1.455195687387202
Energy: 1.58747449807031
Energy: 1.4721421898187126
Energy: 1.246052895900923
Energy: 1.4721421898187126
Energy: 1.5874744980695774
Energy: 1.4721421898187126
Energy: 1.4992739171822584
Energy: 1.4699167794861967
Energy: 1.071697069922666
Energy: 1.4699167794861967
Energy: 1.4992739171815264
Energy: 1.4699167794854644
Energy: 1.499413862976257
Energy: 1.4906393400924924
Energy: 1.1667513234577072
Energy: 1.4906393400924924
Energy: 1.499413862976257
Energy: 1.4906393400924924
Energy: 1.3369531996435566
Energy: 1.4613992283434853
Energy: 1.1974625540006112
Energy: 1.4613992283434853
Energy: 1.3369531996413597
Energy: 1.4613992283434853
Energy: 1.1784747801713396
Energy: 1.461480854564649
Energy: 1.396941930134425
Energy: 1.461480854564649
Energy: 1.1784747801713396
Energy: 1.461480854564649
Energy: 1.2168904750150678
Energy: 1.495929021716741
Energy: 1.2288520718980864
Energy: 1.495929021716741
Energy: 1.2168904750150678
Energy: 1.495929021716741
Energy: 1.1888900335172468
Energy: 1.408176056219108
Energy: 1.5392504351657754
Energy: 1.4081760562183756
Energy: 1.1888900335172468
Energy: 1.4081760562183756
Energy: 1.1975068328437286
Energy: 1.4480711585145236
Energy: 1.5851302345750249
Energy: 1.4480711585145236
Energy: 1.1975068328437286
Energy: 1.448071158515256
Energy: 1.081096972737124
Energy: 1.457447628773125
Energy: 1.7312240798460918
Energy: 1.457447628773125
Energy: 1.0810969727363917
Energy: 1.457447628773125
Energy: 1.0819985132101788
Energy: 1.4519133997001277
Energy: 1.5670996939208772
Energy: 1.4519133997001277
Energy: 1.0819985132109111
Energy: 1.4519133997001277
Energy: 1.043321110660073
Energy: 1.1343983044461543
Energy: 1.6155361978906484
Energy: 1.1343983044461543
Energy: 1.043321110660073
Energy: 1.1343983044454222
Energy: 1.1786730171032425
Energy: 1.4242294818994192
Energy: 1.509419527677804
Energy: 1.4242294818986867
Energy: 1.1786730171032425
Energy: 1.424229481900151
Energy: 1.041899101896156
Energy: 1.12735738958019
Energy: 1.55539312037939
Energy: 1.127357389723665
Energy: 1.041899101896156
Energy: 1.1273573894433062
Energy: 1.3001008850552422
Energy: 1.4483651697420448
Energy: 1.227215663692677
Energy: 1.4483651697413122
Energy: 1.3001008850552422
Energy: 1.4483651697420448
Energy: 1.2153181749344004
Energy: 1.4286951519699975
Energy: 1.3598637530099347
Energy: 1.42869515197073
Energy: 1.2153181749351327
Energy: 1.4286951519699975

minimum gb energy = 1.041899101896156 eV
minimum distance =  2.20615561713279 Angstroms
sigma value = 43


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

Energy: 1.6719533325779987
Energy: 1.7133715916599606
Energy: 1.46227675780754
Energy: 1.7133715916599606
Energy: 1.6719533325788982
Energy: 1.7133715916599606
Energy: 1.857760018179796
Energy: 1.171581637560383
Energy: 1.1370366182752638
Energy: 1.1715816375594834
Energy: 1.857760018179796
Energy: 1.171581637560383
Energy: 1.2225188935850873
Energy: 1.578587842241504
Energy: 1.2445900742868345
Energy: 1.578587842241504
Energy: 1.2225188935841877
Energy: 1.5785878422424036
Energy: 1.6880093753492715
Energy: 1.0943188330653155
Energy: 1.1405999290036948
Energy: 1.0943188330662152
Energy: 1.6880093753492715
Energy: 1.0943188330662152
Energy: 1.1906641084313347
Energy: 1.592609647388485
Energy: 1.392620881608961
Energy: 1.5926096473875857
Energy: 1.1906641084313347
Energy: 1.5926096473875857
Energy: 1.4967192574524433
Energy: 1.5709095014897756
Energy: 1.2026256246590379
Energy: 1.570909501490675
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Energy: 1.570909501490675
Energy: 1.0821506481698326
Energy: 1.3306199805080579
Energy: 1.361523917409403
Energy: 1.3306199805080579
Energy: 1.082150648168933
Energy: 1.3306199805071584
Energy: 1.2156593649934562
Energy: 1.5757393223640295
Energy: 1.228483027115996
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Energy: 1.2156593649934562
Energy: 1.5757393223649288
Energy: 1.0953337457790209
Energy: 1.35445219460728
Energy: 1.870111709274482
Energy: 1.35445219460728
Energy: 1.0953337457790209
Energy: 1.3544521946081796
Energy: 1.1368351950463207
Energy: 1.5429820810822272
Energy: 1.5917993723562764
Energy: 1.5429820810822272
Energy: 1.1368351950463207
Energy: 1.5429820810822272
Energy: 1.1387996111346883
Energy: 1.596534819212299
Energy: 1.3616019415785745
Energy: 1.596534819212299
Energy: 1.1387996111346883
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Energy: 1.094540228228055
Energy: 1.575637740486748
Energy: 1.22826134241612
Energy: 1.575637740486748
Energy: 1.094540228228055
Energy: 1.575637740486748
Energy: 1.1833186530582445
Energy: 1.0954194570765337
Energy: 1.5711372282408382
Energy: 1.0954194570765337
Energy: 1.1833186530582445
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Energy: 1.1618975197654942
Energy: 1.580719219031127
Energy: 1.207024024754825
Energy: 1.580719219031127
Energy: 1.1618975197654942
Energy: 1.5807192190302275
Energy: 1.1457394988667238
Energy: 1.5721349085648615
Energy: 1.0937248034043192
Energy: 1.572134908565761
Energy: 1.1457394988649245
Energy: 1.5721349085648615
Energy: 1.368002927697977
Energy: 1.3307745602703336
Energy: 1.0938153133516508
Energy: 1.330774560269434
Energy: 1.3680029276961778
Energy: 1.330774560269434
Energy: 1.5730407021505273
Energy: 1.5782751959112082
Energy: 1.4818956880809142
Energy: 1.5782751959103087
Energy: 1.5730407021505273
Energy: 1.5782751959103087
Energy: 1.578522628330159
Energy: 1.574406556969005
Energy: 1.1059780857836712
Energy: 1.574406556969005
Energy: 1.578522628330159
Energy: 1.574406556969005
Energy: 1.457102631128104
Energy: 1.5735333997075216
Energy: 1.1080206457015234
Energy: 1.5735333997075216
Energy: 1.4571026311685842
Energy: 1.5735333997075216
Energy: 1.3680196589441453
Energy: 1.5972704681403753
Energy: 1.138162007634232
Energy: 1.597270468141275
Energy: 1.3680196589486429
Energy: 1.5972704681403753
Energy: 1.5728458838349983
Energy: 1.6588870777502418
Energy: 1.1376682871660366
Energy: 1.6588870777502418
Energy: 1.5728458838349983
Energy: 1.6588870777502418
Energy: 1.1598067930067903
Energy: 1.5720298541642093
Energy: 1.093530770577676
Energy: 1.5720298541642093
Energy: 1.1598067930067903
Energy: 1.5720298541642093
Energy: 1.1459185150848537
Energy: 1.5924971757956303
Energy: 1.202980452038102
Energy: 1.5924971757956303
Energy: 1.1459185150848537
Energy: 1.5924971757956303
Energy: 1.0970212780472555
Energy: 1.572352115937598
Energy: 1.1618954726878703
Energy: 1.5723521159366982
Energy: 1.0970212780454562
Energy: 1.572352115937598
Energy: 1.0950085619828127
Energy: 1.692512257681435
Energy: 1.2273412923569165
Energy: 1.692512257681435
Energy: 1.0950085619819132
Energy: 1.692512257681435
Energy: 1.137579418608333
Energy: 1.5918060253303508
Energy: 1.3620204083422192
Energy: 1.5918060253303508
Energy: 1.137579418608333
Energy: 1.5918060253303508
Energy: 1.1361895114473914
Energy: 1.571629284941712
Energy: 1.5916898441658043
Energy: 1.571629284941712
Energy: 1.1361895114473914
Energy: 1.571629284941712
Energy: 1.0960889910282205
Energy: 1.6392807087499868
Energy: 1.5806060457392264
Energy: 1.6392807087499868
Energy: 1.0960889910282205
Energy: 1.6392807087508863
Energy: 1.2179402417709801
Energy: 1.575664042947788
Energy: 1.2272005787613354
Energy: 1.575664042947788
Energy: 1.2179402417718794
Energy: 1.575664042947788
Energy: 1.0828024641196632
Energy: 1.3368543952826148
Energy: 1.3640755451832318
Energy: 1.3368543952826148
Energy: 1.082802464120563
Energy: 1.3368543952826148
Energy: 1.0946503598710682
Energy: 1.565997120756002
Energy: 1.1465466429411004
Energy: 1.5659971207551024
Energy: 1.0946503598719677
Energy: 1.565997120756002

minimum gb energy = 1.082150648168933 eV
minimum distance =  2.20320246341822 Angstroms
sigma value = 57


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

Energy: 1.3738890824564975
Energy: 1.7727500769909021
Energy: 1.3490211267225563
Energy: 1.7727500769909021
Energy: 1.3738890824564975
Energy: 1.7727500769897375
Energy: 1.546901732097949
Energy: 1.2812136864990311
Energy: 1.2409723292738708
Energy: 1.2812136864990311
Energy: 1.546901732097949
Energy: 1.2812136864990311
Energy: 1.1838478427964623
Energy: 1.743481833480851
Energy: 1.3497212542605774
Energy: 1.743481833480851
Energy: 1.1838478427964623
Energy: 1.743481833480851
Energy: 1.516205865673448
Energy: 1.1958971230792357
Energy: 1.1690844706933479
Energy: 1.1958971230792357
Energy: 1.5162058656746127
Energy: 1.1958971230792357
Energy: 1.174027550650903
Energy: 1.2048357922818973
Energy: 1.3725604902509858
Energy: 1.2048357922818973
Energy: 1.174027550650903
Energy: 1.2048357922818973
Energy: 1.3483031717940384
Energy: 1.7604694305274184
Energy: 1.254166422363001
Energy: 1.7604694305274184
Energy: 1.3483031717940384
Energy: 1.7604694305274184
Energy: 1.176445089900911
Energy: 1.478122976944703
Energy: 1.525985468215733
Energy: 1.478122976944703
Energy: 1.176445089900911
Energy: 1.478122976945868
Energy: 1.19364194147166
Energy: 1.7615771226037498
Energy: 1.3762459371109759
Energy: 1.7615771226049146
Energy: 1.1936419414728248
Energy: 1.7615771226037498
Energy: 1.2418995574566891
Energy: 1.2800656034696767
Energy: 1.18806343333852
Energy: 1.2800656034708413
Energy: 1.2418995574578537
Energy: 1.2800656034708413
Energy: 1.3489285299525293
Energy: 1.7345893294934855
Energy: 1.1826000053539452
Energy: 1.7345893294934855
Energy: 1.3489285299525293
Energy: 1.7345893294934855
Energy: 1.1762568926670947
Energy: 1.1673604089793215
Energy: 1.165881619830734
Energy: 1.1673604089793215
Energy: 1.1762568926682593
Energy: 1.1673604089793215
Energy: 1.3385887622738886
Energy: 1.4835814850197873
Energy: 1.1666625259961738
Energy: 1.4835814850197873
Energy: 1.3385887622738886
Energy: 1.4835814850174578
Energy: 1.2469936078695967
Energy: 1.7343809810035267
Energy: 1.241376143946936
Energy: 1.7343809810046917
Energy: 1.2469936078684318
Energy: 1.7343809810035267
Energy: 1.5442971121351232
Energy: 1.7355354101794735
Energy: 1.1743863852212866
Energy: 1.7355354101794735
Energy: 1.5442971121258051
Energy: 1.7355354101794735
Energy: 1.9365558168824177
Energy: 1.7600062799840774
Energy: 1.188777226600006
Energy: 1.7600062799840774
Energy: 1.936555816881253
Energy: 1.7600062799840774
Energy: 1.246963079406458
Energy: 1.7341046269930518
Energy: 1.2417275695752974
Energy: 1.7341046269930518
Energy: 1.246963079406458
Energy: 1.7341046269930518
Energy: 1.2471122115645068
Energy: 1.483447742752003
Energy: 1.1756121357761236
Energy: 1.483447742752003
Energy: 1.2471122115656714
Energy: 1.483447742752003
Energy: 1.1666066171600276
Energy: 1.5139947081295964
Energy: 1.1666492277755323
Energy: 1.5139947081307612
Energy: 1.1666066171600276
Energy: 1.5139947081307612
Energy: 1.1757523993952723
Energy: 1.4831662054137593
Energy: 1.2469868621853295
Energy: 1.4831662054137593
Energy: 1.1757523993952723
Energy: 1.4831662054137593
Energy: 1.2416916235520212
Energy: 1.7341332573652577
Energy: 1.2478724495271833
Energy: 1.7341332573652577
Energy: 1.2416916235520212
Energy: 1.7341332573664225
Energy: 1.1878983691182357
Energy: 1.7597319546107022
Energy: 1.9420830406633818
Energy: 1.7597319546095376
Energy: 1.1878983691194003
Energy: 1.7597319546095376
Energy: 1.1743997470053633
Energy: 1.4743593886679685
Energy: 1.5447090968097652
Energy: 1.4743593886679685
Energy: 1.1743997470041987
Energy: 1.4743593886679685
Energy: 1.2808062742813606
Energy: 1.734333715324339
Energy: 1.2470764313995788
Energy: 1.7343337153231742
Energy: 1.2808062742825252
Energy: 1.7343337153231742
Energy: 1.167179079080008
Energy: 1.4836420473526102
Energy: 1.3386415490084773
Energy: 1.4836420473537748
Energy: 1.1671790790811727
Energy: 1.4836420473526102

minimum gb energy = 1.165881619830734 eV
minimum distance =  2.23315585240375 Angstroms
sigma value = 17


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

Energy: 1.2502538845136144
Energy: 1.2482519168362793
Energy: 1.8131173743415598
Energy: 1.248251916834632
Energy: 1.2502538845136144
Energy: 1.2482519168362793
Energy: 1.2950707453614827
Energy: 1.2789672420854916
Energy: 1.274158816411566
Energy: 1.2789672420854916
Energy: 1.2950707453614827
Energy: 1.2789672420854916
Energy: 1.2693209187033
Energy: 1.2849918764094355
Energy: 1.5018924932064877
Energy: 1.2849918764110828
Energy: 1.2693209187033
Energy: 1.2849918764094355
Energy: 1.4930973445652782
Energy: 1.2758784448624718
Energy: 1.2792702180514741
Energy: 1.2758784448624718
Energy: 1.4930973445652782
Energy: 1.2758784448624718
Energy: 1.269780033288039
Energy: 1.2732485790858745
Energy: 1.5762212467891001
Energy: 1.2732485790858745
Energy: 1.269780033288039
Energy: 1.2732485790858745
Energy: 1.28201503278119
Energy: 1.2498739787439457
Energy: 1.2494942572189875
Energy: 1.2498739787439457
Energy: 1.2820150327795428
Energy: 1.2498739787439457
Energy: 1.2752844233777108
Energy: 1.4810882894481747
Energy: 1.2966197259955297
Energy: 1.4810882894481747
Energy: 1.2752844233777108
Energy: 1.4810882894481747
Energy: 1.486692772982979
Energy: 1.613388842941481
Energy: 1.2795050944357826
Energy: 1.613388842941481
Energy: 1.486692772982979
Energy: 1.613388842941481
Energy: 1.2698105347007416
Energy: 1.2755209826202571
Energy: 1.4632084725309376
Energy: 1.27552098261861
Energy: 1.2698105347007416
Energy: 1.27552098261861
Energy: 1.4900468249557595
Energy: 1.2391687517279855
Energy: 1.2737833336131505
Energy: 1.2391687517263383
Energy: 1.4900468249557595
Energy: 1.2391687517279855
Energy: 1.2654908396030675
Energy: 1.6767051639157848
Energy: 1.2823358496984114
Energy: 1.676705163917432
Energy: 1.2654908396030675
Energy: 1.6767051639157848
Energy: 1.2776047345903512
Energy: 1.2738990022967265
Energy: 1.2827296886147463
Energy: 1.2738990022967265
Energy: 1.2776047345919985
Energy: 1.2738990022967265
Energy: 1.269417883427889
Energy: 1.823942599282103
Energy: 1.2679355752285772
Energy: 1.823942599282103
Energy: 1.269417883427889
Energy: 1.823942599282103
Energy: 1.3341460126949107
Energy: 1.2684870528475456
Energy: 1.2690178782599828
Energy: 1.268487052849193
Energy: 1.3341460126949107
Energy: 1.2684870528475456
Energy: 1.2708641993951408
Energy: 1.6819303260799894
Energy: 1.4897944966608794
Energy: 1.6819303260799894
Energy: 1.2708641993951408
Energy: 1.6819303260799894
Energy: 1.2745162809061386
Energy: 1.677362693025761
Energy: 1.2696342669352536
Energy: 1.677362694586595
Energy: 1.2745162809061386
Energy: 1.6773626938605166
Energy: 1.2827841600777148
Energy: 1.2740733716351123
Energy: 1.2677776802861562
Energy: 1.2740733716351123
Energy: 1.282784160079362
Energy: 1.2740733716351123

minimum gb energy = 1.2391687517263383 eV
minimum distance =  2.28269411188514 Angstroms
sigma value = 17


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

Energy: 1.8144120097549898
Energy: 1.4593912158907838
Energy: 1.8802728689463943
Energy: 1.4593912158895115
Energy: 1.814412009754354
Energy: 1.4593912158914202
Energy: 1.636428849181325
Energy: 1.3009836547184905
Energy: 1.281218835415107
Energy: 1.3009836547191267
Energy: 1.6364288491794166
Energy: 1.3009836547191267
Energy: 1.2715752642427576
Energy: 1.355752456362911
Energy: 1.7304009250602597
Energy: 1.355752456362275
Energy: 1.2715752642421216
Energy: 1.3557524563616388
Energy: 1.5627235028299336
Energy: 1.847652238414598
Energy: 1.3959607758112582
Energy: 1.847652238415234
Energy: 1.5627235028299336
Energy: 1.847652238414598
Energy: 1.2769222952446768
Energy: 1.3538645985372537
Energy: 1.7246003925891262
Energy: 1.3538645985378899
Energy: 1.2769222952446768
Energy: 1.3538645985378899
Energy: 1.634114874308094
Energy: 1.8948128908228243
Energy: 1.454915534923342
Energy: 1.8948128908228243
Energy: 1.6341148743074578
Energy: 1.8948128908221882
Energy: 1.2798333450928499
Energy: 1.3820713287825885
Energy: 1.623869504830515
Energy: 1.3820713287819524
Energy: 1.2798333450928499
Energy: 1.3820713287825885
Energy: 1.7222110595884377
Energy: 1.5327509909792267
Energy: 1.2753670147087772
Energy: 1.5327509911032065
Energy: 1.7222110595865294
Energy: 1.5327509911890496
Energy: 1.4571685253158113
Energy: 1.881144004689594
Energy: 1.323902052273983
Energy: 1.8811440046889578
Energy: 1.4571685253158113
Energy: 1.881144004689594
Energy: 1.7914270717297223
Energy: 1.3623519306982046
Energy: 1.2834514196950424
Energy: 1.3623519306994767
Energy: 1.7914270717297223
Energy: 1.372959249018882
Energy: 1.3943195733888571
Energy: 1.8625698068402472
Energy: 1.497789502623073
Energy: 1.8625698068402472
Energy: 1.3943195733907652
Energy: 1.8625698068402472
Energy: 1.3189990204976745
Energy: 1.8991640969312562
Energy: 1.2879513087707375
Energy: 1.8991640969318921
Energy: 1.3189990204976745
Energy: 1.8991640969312562
Energy: 1.2828963729020861
Energy: 1.5599048636065267
Energy: 1.7798263288765235
Energy: 1.5599048636039823
Energy: 1.2828963729027223
Energy: 1.5599048636052544
Energy: 1.3189420025175072
Energy: 1.9885680905330214
Energy: 1.8826713554218872
Energy: 1.9885680905323853
Energy: 1.318942002518143
Energy: 1.9885680905330214
Energy: 1.3051794429080543
Energy: 1.9397052957229994
Energy: 1.4396986656469788
Energy: 1.9397052957229994
Energy: 1.3051794429080543
Energy: 1.9397052957229994
Energy: 1.4622141233592547
Energy: 1.8713970179417923
Energy: 1.2807853951858494
Energy: 1.871397017943701
Energy: 1.4622141233624353
Energy: 1.9621665995203958
Energy: 1.4661271368497253
Energy: 1.8562311082373422
Energy: 1.3207997136935206
Energy: 1.8562311082379783
Energy: 1.4661271368497253
Energy: 1.8562311082373422
Energy: 1.94690868344103
Energy: 1.961598293934858
Energy: 1.306029680946183
Energy: 1.9615982939354941
Energy: 1.9469086834403944
Energy: 1.9615982939354941
Energy: 1.7310631045156395
Energy: 1.6860277768170995
Energy: 1.2962883310937516
Energy: 1.6860277768158272
Energy: 1.7310631045156395
Energy: 1.6860277768151912
Energy: 1.2953281545340856
Energy: 1.7067776782332182
Energy: 1.2940089203493885
Energy: 1.706777678232611
Energy: 1.2953281545340856
Energy: 1.80083982970951
Energy: 1.2962666080556817
Energy: 1.6861520905588445
Energy: 1.82768063428179
Energy: 1.6861520905575724
Energy: 1.2962666080556817
Energy: 1.6861520905582084
Energy: 1.306233158120447
Energy: 1.9616559431029432
Energy: 1.947016630938549
Energy: 1.9616559431023068
Energy: 1.306233158120447
Energy: 1.9616559431029432
Energy: 1.305266266542542
Energy: 1.8556778411801915
Energy: 1.4673821572069516
Energy: 1.8556778411814638
Energy: 1.3052662665406336
Energy: 1.8556778411820998
Energy: 1.2725451162768349
Energy: 1.7900993303590464
Energy: 1.4625110773610106
Energy: 1.7900993303603188
Energy: 1.2725451162768349
Energy: 1.7900993303615909
Energy: 1.376810904187892
Energy: 1.9396984960553358
Energy: 1.3214669044814946
Energy: 1.9396984960553358
Energy: 1.3768109041872558
Energy: 1.9396984960553358
Energy: 1.9257521033419962
Energy: 1.9886999207875118
Energy: 1.3189137522805443
Energy: 1.9886999207875118
Energy: 1.9257521033419962
Energy: 1.9886999207881475
Energy: 1.780096474291156
Energy: 1.55986448755395
Energy: 1.2827289083110676
Energy: 1.559864487554586
Energy: 1.7800964742905199
Energy: 1.5598644875533139
Energy: 1.2882725808817475
Energy: 1.9283067417680837
Energy: 1.3186895965046208
Energy: 1.92830674176872
Energy: 1.2882725808817475
Energy: 1.9283067417668116
Energy: 1.4979051053429344
Energy: 1.864189937049387
Energy: 1.394224316630396
Energy: 1.8641899370487507
Energy: 1.4979051053435704
Energy: 1.864189937050023
Energy: 1.2835057072533846
Energy: 1.6490002263484065
Energy: 1.7914656717437056
Energy: 1.6490002263490426
Energy: 1.2835057072540208
Energy: 1.6490002263477703
Energy: 1.3237919545380714
Energy: 1.880452125474128
Energy: 1.457282778322241
Energy: 1.8804521254747641
Energy: 1.3237919545380714
Energy: 1.8804521254722197
Energy: 1.2750617495563223
Energy: 1.532669552134441
Energy: 1.7221427280863713
Energy: 1.5326695521331684
Energy: 1.2750617495563223
Energy: 1.5326695521350768
Energy: 1.6240490868279585
Energy: 1.3819079337845108
Energy: 1.2797838298678248
Energy: 1.381907933785147
Energy: 1.6240490868266861
Energy: 1.381907933785147
Energy: 1.4549316187089834
Energy: 1.895842939201469
Energy: 1.634258219744673
Energy: 1.895842939201469
Energy: 1.4549316187089834
Energy: 1.895842939200833
Energy: 1.637291724914405
Energy: 1.353864598538526
Energy: 1.2768868826146682
Energy: 1.3538645985378899
Energy: 1.637291724914405
Energy: 1.353864598538526
Energy: 1.3960618592065535
Energy: 1.8469966428745925
Energy: 1.5613108635501587
Energy: 1.8469966428745925
Energy: 1.3960618592071896
Energy: 1.8469966428765012
Energy: 1.730447481747298
Energy: 1.3551131001632102
Energy: 1.2717296531078246
Energy: 1.3551131001619379
Energy: 1.7304474817479338
Energy: 1.3551131001632102
Energy: 1.281266629121344
Energy: 1.3014564198128664
Energy: 1.6335895962747957
Energy: 1.3014564198135024
Energy: 1.281266629121344
Energy: 1.3014564198128664
Energy: 1.6038560662640569
Energy: 1.4593912158901476
Energy: 1.814412009754354
Energy: 1.4593912158914202
Energy: 1.6038560662621486
Energy: 1.4593912158914202
Energy: 1.281218835414471
Energy: 1.3009836547178544
Energy: 1.636428849180689
Energy: 1.3009836547184905
Energy: 1.281218835413835
Energy: 1.3009836547178544
Energy: 1.7304009250608958
Energy: 1.3557524563616388
Energy: 1.2715752642421216
Energy: 1.355752456362911
Energy: 1.7304009250602597
Energy: 1.355752456362275
Energy: 1.3959607758099863
Energy: 1.847652238414598
Energy: 1.5627235028292976
Energy: 1.847652238414598
Energy: 1.3959607758099863
Energy: 1.8476522384139618
Energy: 1.7246003925923068
Energy: 1.3538645985372537
Energy: 1.2769222952446768
Energy: 1.3538645985378899
Energy: 1.7246003925916706
Energy: 1.3538645985378899

minimum gb energy = 1.2715752642421216 eV
minimum distance =  2.26722039668064 Angstroms
sigma value = 57


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

Energy: 1.5989671647267762
Energy: 2.0247169126886875
Energy: 1.9150661571520315
Energy: 2.024716912687651
Energy: 1.5989671647267762
Energy: 2.0247169126886875
Energy: 1.5499806524704154
Energy: 1.2993985633967378
Energy: 1.312009749700353
Energy: 1.2993985633967378
Energy: 1.549980652471451
Energy: 1.2993985633988094
Energy: 1.320259481126166
Energy: 1.6183090298445182
Energy: 1.666898470575476
Energy: 1.6183090298455536
Energy: 1.320259481127202
Energy: 1.6183090298455536
Energy: 1.4406844131079175
Energy: 1.661120644225587
Energy: 1.5704354648741938
Energy: 1.6611206442266226
Energy: 1.4406844131068814
Energy: 1.6611206442266226
Energy: 1.2465139254384587
Energy: 1.3525174437255147
Energy: 1.4677152093392547
Energy: 1.3525174437265506
Energy: 1.2465139254384587
Energy: 1.3525174437255147
Energy: 1.9672465747755514
Energy: 1.6055810675661275
Energy: 1.5702070623259874
Energy: 1.6055810675671631
Energy: 1.9672465747755514
Energy: 1.6055810675671631
Energy: 1.3241677662791527
Energy: 1.6270757548404355
Energy: 1.7981182136586142
Energy: 1.627075754842507
Energy: 1.3241677662791527
Energy: 1.6270757548394
Energy: 1.7069751294007036
Energy: 1.3549536009561474
Energy: 1.2993217601483509
Energy: 1.3549536009561474
Energy: 1.7069751293986324
Energy: 1.3549536009571828
Energy: 1.4053831191916286
Energy: 2.0303281438815666
Energy: 1.3283127250146098
Energy: 2.0303281438815666
Energy: 1.4053831191916286
Energy: 2.0303281438815666
Energy: 1.9998786612082784
Energy: 1.3015869834277438
Energy: 1.3103661691778001
Energy: 1.3015869834277438
Energy: 1.9998786612082784
Energy: 1.3015869834277438
Energy: 1.3240859475841673
Energy: 1.8761844784557622
Energy: 1.8321069476936862
Energy: 1.8761844784557622
Energy: 1.3240859475841673
Energy: 1.8761844784557622
Energy: 1.3808635660814106
Energy: 1.859445886817899
Energy: 1.5934959774114936
Energy: 1.8594458868189345
Energy: 1.380863566082446
Energy: 1.8594458868189345
Energy: 1.2503920397806125
Energy: 1.7214596975331753
Energy: 1.5909172609030555
Energy: 1.7214596975311036
Energy: 1.2503920397806125
Energy: 1.7214596975331753
Energy: 1.648674907698483
Energy: 1.8846157129049923
Energy: 1.6008733264740362
Energy: 1.8846157129049923
Energy: 1.648674907698483
Energy: 1.8846157129039565
Energy: 1.3375844073009877
Energy: 1.9797033789171652
Energy: 1.3270887363691923
Energy: 1.9797033789161298
Energy: 1.3375844073009877
Energy: 1.9797033789171652
Energy: 1.8205408028841785
Energy: 1.7119597583471609
Energy: 1.3136935404791823
Energy: 1.7119597583492323
Energy: 1.8205408028810712
Energy: 1.7119597583471609
Energy: 1.6084564592779693
Energy: 2.025686784928257
Energy: 1.32108893927394
Energy: 2.0256867849292925
Energy: 1.608456459275898
Energy: 2.025686784928257
Energy: 1.609562988720641
Energy: 1.7254321873943066
Energy: 1.3271211559681528
Energy: 1.7254321873943066
Energy: 1.609562988720641
Energy: 1.7254321873943066
Energy: 1.336672823989223
Energy: 1.874605651336184
Energy: 1.5708943948553713
Energy: 1.8746056513372196
Energy: 1.336672823989223
Energy: 1.874605651336184
Energy: 1.3906521338043272
Energy: 1.8765109788015082
Energy: 1.6181897511243981
Energy: 1.8765109788025438
Energy: 1.3906521338043272
Energy: 1.8765109788025438
Energy: 1.2624010600685516
Energy: 1.7220264076149665
Energy: 1.5879984800662814
Energy: 1.7220264076139309
Energy: 1.2624010600685516
Energy: 1.7220264076160026
Energy: 1.3035503161757624
Energy: 1.6462816469211132
Energy: 1.6185229302370716
Energy: 1.6462816469200774
Energy: 1.3035503161747266
Energy: 1.6462816469190416
Energy: 1.295877629009619
Energy: 1.9778460341410136
Energy: 1.3205641554347682
Energy: 1.9778460341410136
Energy: 1.295877629009619
Energy: 1.9778460341420492
Energy: 1.4071058580456015
Energy: 2.0111567182342047
Energy: 1.3159124670740414
Energy: 2.0111567182342047
Energy: 1.4071058580445657
Energy: 2.0111567182331687
Energy: 1.4991101202829493
Energy: 1.9890018426854614
Energy: 1.3324657996008653
Energy: 1.9890018426854614
Energy: 1.4991101202819137
Energy: 1.9890018426864975
Energy: 1.300587650588083
Energy: 1.7259621096310611
Energy: 1.3246010807645119
Energy: 1.7259621096320967
Energy: 1.300587650588083
Energy: 1.7259621096331326
Energy: 1.29450355892125
Energy: 1.6522701924284064
Energy: 1.5839952277657643
Energy: 1.6522701924273706
Energy: 1.2945035589202143
Energy: 1.6522701924263348

minimum gb energy = 1.2465139254384587 eV
minimum distance =  2.25729694292097 Angstroms
sigma value = 43


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

Energy: 1.5525767729851279
Energy: 2.02038306906717
Energy: 1.9684247405212398
Energy: 2.02038306906717
Energy: 1.5525767729843734
Energy: 2.02038306906717
Energy: 1.406546445308184
Energy: 1.3223441118201051
Energy: 1.2854186881640688
Energy: 1.3223441118208596
Energy: 1.406546445308184
Energy: 1.3223441118193504
Energy: 1.2834445471863323
Energy: 1.434049332276089
Energy: 1.73249260968868
Energy: 1.4340493322775982
Energy: 1.2834445471870866
Energy: 1.434049332276089
Energy: 1.7252138866698608
Energy: 1.999001213003623
Energy: 1.5228111603122716
Energy: 1.999001213003623
Energy: 1.7252138866683515
Energy: 1.999001213003623
Energy: 1.291929972524554
Energy: 1.40780636669761
Energy: 1.4626812040516393
Energy: 1.4078063666968554
Energy: 1.291929972524554
Energy: 1.40780636669761
Energy: 1.7092292399755429
Energy: 1.4089225014114275
Energy: 1.2931836081335288
Energy: 1.408922501412182
Energy: 1.7092292399770521
Energy: 1.408922501412182
Energy: 1.294953380191113
Energy: 1.4085755256995698
Energy: 1.7753151693086022
Energy: 1.4085755257018335
Energy: 1.294953380191113
Energy: 1.4085755257010788
Energy: 1.5224121248628446
Energy: 1.4089070967677142
Energy: 1.2985464292199844
Energy: 1.4089070967677142
Energy: 1.5224121248613354
Energy: 1.4089070967669597
Energy: 1.5249842365549953
Energy: 1.9459723163141232
Energy: 1.7481334275963514
Energy: 1.9459723163118592
Energy: 1.5249842365549953
Energy: 1.9459723163148777
Energy: 1.5929696233674964
Energy: 1.4338146726050234
Energy: 1.283788676469451
Energy: 1.4338146726065328
Energy: 1.5929696233697603
Energy: 1.433814672605778
Energy: 1.2864634337667429
Energy: 1.355774320318538
Energy: 1.8458616944126287
Energy: 1.355774320318538
Energy: 1.2864634337667429
Energy: 1.355774320318538
Energy: 1.3229102348428488
Energy: 2.0086910324929277
Energy: 1.565138906278392
Energy: 2.0086910324921727
Energy: 1.3229102348428488
Energy: 2.0086910324936817
Energy: 1.2859264157685386
Energy: 1.3226271308011306
Energy: 1.439687557859955
Energy: 1.3226271308011306
Energy: 1.2859264157692931
Energy: 1.3226271308011306
Energy: 1.7646109673470518
Energy: 1.638184569974802
Energy: 1.283608625833859
Energy: 1.6381845699755568
Energy: 1.7646109673478065
Energy: 1.6381845699755568
Energy: 1.470626541243541
Energy: 1.9480407543994855
Energy: 1.3500551938417185
Energy: 1.9480407543994855
Energy: 1.470626541243541
Energy: 1.9480407543994855
Energy: 1.4491072617250367
Energy: 2.021959548439751
Energy: 1.2873026545239183
Energy: 2.0219595484405053
Energy: 1.4491072617242822
Energy: 2.021959548439751
Energy: 1.2878117494442392
Energy: 1.695641417438445
Energy: 1.7120311445895462
Energy: 1.6956414174391996
Energy: 1.2878117494442392
Energy: 1.6956414174391996
Energy: 1.3240274549059703
Energy: 1.7063206334535599
Energy: 1.2933466116169903
Energy: 1.7063206334543144
Energy: 1.3240274549074793
Energy: 1.7063206334543144
Energy: 1.3398368720630565
Energy: 1.6849469735816838
Energy: 1.4679638948991873
Energy: 1.6849469735824385
Energy: 1.3398368720637766
Energy: 1.6849469735816838
Energy: 1.2847827762418587
Energy: 1.7051587949859193
Energy: 1.4666718683287985
Energy: 1.7051587950402178
Energy: 1.2847827762426132
Energy: 1.7051587950311622
Energy: 1.2893579555177548
Energy: 1.7320201619489306
Energy: 1.3752335158015148
Energy: 1.7320201619481759
Energy: 1.2893579555192638
Energy: 1.7320201619504398
Energy: 1.8098799514277049
Energy: 1.6384204342459305
Energy: 1.2849492510472142
Energy: 1.6384204342436668
Energy: 1.8098799514277049
Energy: 1.6384204342444215
Energy: 1.9765923012304356
Energy: 1.7189618283936827
Energy: 1.3416671290302264
Energy: 1.718961828392928
Energy: 1.976592301229681
Energy: 1.7189618283944372
Energy: 1.2893498438912305
Energy: 1.7454099746919958
Energy: 1.3222076803467007
Energy: 1.7454099746919958
Energy: 1.2893498438912305
Energy: 1.7454099746935052
Energy: 1.2849198070117194
Energy: 1.6951184203082028
Energy: 1.4668797652734453
Energy: 1.6951184203082028
Energy: 1.2849198070109646
Energy: 1.6951184203082028
Energy: 1.3472705700549537
Energy: 1.938089991828094
Energy: 1.4676020189713146
Energy: 1.938089991828094
Energy: 1.3472705700557082
Energy: 1.9380899918273395
Energy: 1.3500531092585215
Energy: 2.028072842834586
Energy: 1.4072786302484075
Energy: 2.0280728428353068
Energy: 1.3500531092585215
Energy: 2.0280728428353068
Energy: 1.4496444252813447
Energy: 1.9601665923287825
Energy: 1.4065693331658917
Energy: 1.9601665923295375
Energy: 1.4496444252813447
Energy: 1.9601665923295375
Energy: 1.4072291135889965
Energy: 2.0278721351297078
Energy: 1.321509854023335
Energy: 2.0278721351297078
Energy: 1.4072291135912602
Energy: 2.0278721351297078
Energy: 1.4674051059011395
Energy: 1.9379217118567427
Energy: 1.3472509476861694
Energy: 1.9379217118567427
Energy: 1.4674051059011395
Energy: 1.9379217118567427
Energy: 1.467442322955753
Energy: 1.6954439518465003
Energy: 1.284333812233319
Energy: 1.6954439518465003
Energy: 1.4674423229549984
Energy: 1.6954439518465003
Energy: 1.3225283765872349
Energy: 1.7456995998349618
Energy: 1.2893426785192923
Energy: 1.745699599836471
Energy: 1.32252837658648
Energy: 1.7456995998357165
Energy: 1.3417716611449708
Energy: 1.7188398706479417
Energy: 1.7826763761107176
Energy: 1.718839870647187
Energy: 1.3417716611449708
Energy: 1.7188398706456778
Energy: 1.2849867553778784
Energy: 1.6381624648450197
Energy: 2.003277736972348
Energy: 1.6381624648457744
Energy: 1.2849867553778784
Energy: 1.6381624648472837
Energy: 1.37531404303618
Energy: 1.7359598599765005
Energy: 1.2892984226081206
Energy: 1.7359598599923476
Energy: 1.3753140430354254
Energy: 1.7359598599900836
Energy: 1.466746581928391
Energy: 1.7243964323007395
Energy: 1.2846702315328593
Energy: 1.7243964322999852
Energy: 1.4667465819276364
Energy: 1.7243964323007395

minimum gb energy = 1.2834445471863323 eV
minimum distance =  2.25152991944275 Angstroms
sigma value = 81


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

Energy: 1.326394228573818
Energy: 1.3268732273909445
Energy: 2.4409511514668405
Energy: 1.3268732273917638
Energy: 1.3263942285735342
Energy: 1.326873227391228
Energy: 1.643170369773182
Energy: 1.3610571849510131
Energy: 1.3264371014623928
Energy: 1.3610571849490596
Energy: 1.6431703697728985
Energy: 1.36105718495073
Energy: 1.3265357430127123
Energy: 1.360885946084941
Energy: 1.6685657865417265
Energy: 1.3608859460846576
Energy: 1.3265357430129958
Energy: 1.360885946084941
Energy: 2.4409511514670927
Energy: 1.3268732273909445
Energy: 1.3263942285732506
Energy: 1.326873227391228
Energy: 2.4409511514670927
Energy: 1.326873227390661
Energy: 1.3264371014626766
Energy: 1.3610571849457516
Energy: 1.6431703697728985
Energy: 1.3610571849454678
Energy: 1.3264371014626766
Energy: 1.3610571849493434
Energy: 1.87109863003169
Energy: 1.3608859460846576
Energy: 1.3265357430127123
Energy: 1.3608859460846576
Energy: 1.87109863003169
Energy: 1.360885946084941
Energy: 1.3263942285735342
Energy: 1.326873227391228
Energy: 1.9982635285815908
Energy: 1.326873227391228
Energy: 1.3263942285732506
Energy: 1.326873227391228
Energy: 1.6431703697728985
Energy: 1.3610571849504463
Energy: 1.3264371014626766
Energy: 1.36105718495073
Energy: 1.6431703697728985
Energy: 1.3610571849474213
Energy: 1.3265357430132796
Energy: 1.360885946084941
Energy: 1.87109863003169
Energy: 1.3608859460852245
Energy: 1.3265357430129958
Energy: 1.360885946084941
Energy: 1.8486719239776312
Energy: 1.3268732273909445
Energy: 1.3263942285732506
Energy: 1.326873227391228
Energy: 1.8486719239781981
Energy: 1.326873227391228

minimum gb energy = 1.3263942285732506 eV
minimum distance =  2.32824950230413 Angstroms
sigma value = 3


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

Energy: 1.9679725595097024
Energy: 1.7882475830183262
Energy: 2.169394847279816
Energy: 1.7882475830199855
Energy: 1.9679725595105317
Energy: 1.7882475830191558
Energy: 1.7446557444194324
Energy: 1.4432226100257777
Energy: 1.3040336274530122
Energy: 1.4432226098507814
Energy: 1.7446557444186026
Energy: 1.4432226101460497
Energy: 1.320539229440129
Energy: 1.2845974646256926
Energy: 1.5715127502318094
Energy: 1.2845974646265224
Energy: 1.320539229440129
Energy: 1.2845974646256926
Energy: 1.9856155738298702
Energy: 1.6526799928108356
Energy: 1.513022336365379
Energy: 1.6526799928414977
Energy: 1.9856155738306998
Energy: 1.6526799928108356
Energy: 1.420220841510967
Energy: 1.4166557207862573
Energy: 1.9378836361359022
Energy: 1.4166557207854278
Energy: 1.4202208415117967
Energy: 1.4166557207854278
Energy: 1.5066592088408057
Energy: 1.3855700541076235
Energy: 1.264878040696252
Energy: 1.385570054108453
Energy: 1.5066592088416353
Energy: 1.385570054108453
Energy: 1.4202199168865157
Energy: 1.5987575091021984
Energy: 1.491666471460298
Energy: 1.5987575091021984
Energy: 1.420219916885686
Energy: 1.5987575091021984
Energy: 1.4155278526507804
Energy: 1.931462452939082
Energy: 1.494534708529719
Energy: 1.931462452939082
Energy: 1.4155278526615667
Energy: 1.931462452939082
Energy: 1.3183690162708344
Energy: 1.5193026790923958
Energy: 1.941069462162337
Energy: 1.5193026790923958
Energy: 1.3183690162708344
Energy: 1.5193026790932254
Energy: 1.3064657961422037
Energy: 1.617286153091294
Energy: 1.2948772312050156
Energy: 1.6172861530904643
Energy: 1.3064657961422037
Energy: 1.6172861530904643
Energy: 1.7944449653598078
Energy: 1.9052406997380547
Energy: 1.524563753181972
Energy: 1.905240699737225
Energy: 1.7944449653598078
Energy: 1.905240699737225
Energy: 1.8589037278202336
Energy: 1.7192720668373507
Energy: 1.2940815939584818
Energy: 1.7192720668373507
Energy: 1.8589037278210636
Energy: 1.719272066836521
Energy: 1.3105382263934
Energy: 1.617607082729959
Energy: 1.266019717171831
Energy: 1.617607082729959
Energy: 1.3105382263934
Energy: 1.6176070827307887
Energy: 1.3008493450433305
Energy: 1.6605287899007652
Energy: 1.4938634053402504
Energy: 1.6605287899015948
Energy: 1.3008493450441603
Energy: 1.6605287899007652
Energy: 1.4200266184214994
Energy: 1.704614217353839
Energy: 1.5016647702422048
Energy: 1.7046142173554983
Energy: 1.4200266184214994
Energy: 1.7046142173546688
Energy: 1.4560256271654561
Energy: 1.683641279320351
Energy: 1.2559910585564515
Energy: 1.683641279320351
Energy: 1.4560256271662857
Energy: 1.683641279320351
Energy: 1.4201450918636545
Energy: 1.7424029272833153
Energy: 1.26547114863537
Energy: 1.7424029272833153
Energy: 1.4201450918636545
Energy: 1.7424029272824855
Energy: 1.4663988441140134
Energy: 1.6143787713903541
Energy: 1.4939576656639695
Energy: 1.6143787713886948
Energy: 1.4663988441148432
Energy: 1.6143787713895243
Energy: 1.2969715540609743
Energy: 2.026979150187331
Energy: 1.5017295109344557
Energy: 2.026979150186501
Energy: 1.2969715540601445
Energy: 2.026979150186501
Energy: 1.2922570143452297
Energy: 1.8175920963211618
Energy: 1.2944196368704652
Energy: 1.817592096320332
Energy: 1.2922570143444
Energy: 1.817592096320332
Energy: 2.0167747003428076
Energy: 1.6913346208146405
Energy: 1.269997724850941
Energy: 1.6913346208154703
Energy: 2.0167747003419776
Energy: 1.6913346208154703
Energy: 1.9686600843414515
Energy: 1.7633017803844537
Energy: 1.4627320460179796
Energy: 1.7633017803836242
Energy: 1.9686600843406221
Energy: 1.7633017803844537
Energy: 1.3232417205037494
Energy: 1.6072390345899936
Energy: 1.269642671798418
Energy: 1.607239034597461
Energy: 1.323241720504579
Energy: 1.6072390345816965
Energy: 1.3010688649284876
Energy: 1.6827087083825105
Energy: 2.0524606736783984
Energy: 1.6827087083816807
Energy: 1.3010688649284876
Energy: 1.6827087083816807
Energy: 1.4399076340913204
Energy: 1.6229121095712924
Energy: 1.502441488133582
Energy: 1.6229121095704626
Energy: 1.439907633771198
Energy: 1.6229121095712924
Energy: 1.4657722080751903
Energy: 1.3321979344960184
Energy: 1.390991864891036
Energy: 1.3321979564025956
Energy: 1.4657722080760198
Energy: 1.3321979500356396
Energy: 1.4319357720819044
Energy: 1.792054971921217
Energy: 1.2655395567419596
Energy: 1.7920549719203873
Energy: 1.431935772086053
Energy: 1.792054971921217
Energy: 1.4658187014277437
Energy: 1.9560165694151148
Energy: 2.1221302167738396
Energy: 1.9560165694151148
Energy: 1.4658187014269137
Energy: 1.9560165694151148
Energy: 1.5602747016877745
Energy: 2.123235275866941
Energy: 1.502300384169346
Energy: 2.123235275866941
Energy: 1.5602747016877745
Energy: 2.123235275866941
Energy: 1.296113228286832
Energy: 1.2877942339106137
Energy: 1.7443879723034759
Energy: 1.2877942339106137
Energy: 1.296113228286832
Energy: 1.2877942339106137
Energy: 1.723067023249056
Energy: 1.4642771778527948
Energy: 1.2842671340298817
Energy: 1.4642771778527948
Energy: 1.7230670232482264
Energy: 1.4642771778527948
Energy: 1.7949576419869568
Energy: 1.923667650077148
Energy: 1.4820825007378138
Energy: 1.9236676500763183
Energy: 1.794957641986127
Energy: 1.9236676500788072
Energy: 1.9618380206376917
Energy: 1.4643405054646406
Energy: 1.2930698381733492
Energy: 1.4643405054654701
Energy: 1.9618380206376917
Energy: 1.4643405054646406

minimum gb energy = 1.2559910585564515 eV
minimum distance =  2.21710121922906 Angstroms
sigma value = 67


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

Energy: 1.5506078418667193
Energy: 1.331432758225871
Energy: 2.050543043336049
Energy: 1.3314327582246888
Energy: 1.5506078418667193
Energy: 1.3314327582235066
Energy: 1.960301220325298
Energy: 1.4223644170674201
Energy: 1.2700592846475542
Energy: 1.4223644170686027
Energy: 1.9603012203241157
Energy: 1.4223644170686027
Energy: 1.2654511515603764
Energy: 1.3474256655792203
Energy: 1.6385797581766801
Energy: 1.3474256655804027
Energy: 1.2654511515603764
Energy: 1.3474256655792203
Energy: 1.9531219264016313
Energy: 1.6966581922639987
Energy: 1.4057377518987162
Energy: 1.6966581922628163
Energy: 1.9531219264016313
Energy: 1.6966581922639987
Energy: 1.3996662804907782
Energy: 2.056989847433857
Energy: 1.9198819465394332
Energy: 2.056989847433857
Energy: 1.3996662804907782
Energy: 2.0569898474350397
Energy: 1.4602568855132207
Energy: 1.6337271961932422
Energy: 1.2523507997431456
Energy: 1.6337271961932422
Energy: 1.4602568855155855
Energy: 1.6337271961932422
Energy: 1.2660097399933858
Energy: 1.5347665487246327
Energy: 1.2796406853684732
Energy: 1.5347665487258149
Energy: 1.2660097399933858
Energy: 1.5347665487258149
Energy: 1.4780278598862853
Energy: 2.0123483950940417
Energy: 1.8935508403580026
Energy: 2.0123483950928596
Energy: 1.4780278598862853
Energy: 2.012348395095224
Energy: 1.4166483859207801
Energy: 1.4334308567605163
Energy: 1.9275046251043737
Energy: 1.4334308567605163
Energy: 1.4166483859219625
Energy: 1.4334308567605163
Energy: 1.389704374015085
Energy: 1.4540104021492477
Energy: 1.2752004963281096
Energy: 1.4540104023891394
Energy: 1.389704374015085
Energy: 1.4540104022508686
Energy: 1.398473614159495
Energy: 1.6977820947691884
Energy: 1.266925419945189
Energy: 1.6977820947703708
Energy: 1.3984736141606773
Energy: 1.6977820947691884
Energy: 1.4584990810372414
Energy: 1.3149817207904315
Energy: 1.3975287448683729
Energy: 1.3149817207904315
Energy: 1.4584990810348766
Energy: 1.3149817207904315
Energy: 1.250625535239531
Energy: 1.2723264724956227
Energy: 1.4573477847627434
Energy: 1.2723264724956227
Energy: 1.250625535239531
Energy: 1.2723264724944405
Energy: 1.2881436362830192
Energy: 1.8358414870986022
Energy: 1.4166141535382142
Energy: 1.8358414870986022
Energy: 1.288143636281837
Energy: 1.8358414870997843
Energy: 2.005567470817363
Energy: 1.7397360833260431
Energy: 1.40288807679862
Energy: 1.7397360833248612
Energy: 2.005567470816181
Energy: 1.7397360833260431
Energy: 2.1665854624717498
Energy: 1.7592986541785773
Energy: 1.483526140282814
Energy: 1.7592986541797597
Energy: 2.1665854624717498
Energy: 1.7592986541797597
Energy: 1.2810366648477691
Energy: 1.5350464987537003
Energy: 1.2984225914212317
Energy: 1.5350464987548824
Energy: 1.2810366648489515
Energy: 1.5350464987548824
Energy: 1.2905510625351928
Energy: 1.7658654322011238
Energy: 1.3978867098975165
Energy: 1.7658654322011238
Energy: 1.2905510625351928
Energy: 1.7658654322023062
Energy: 2.109295868436455
Energy: 2.0516041310463327
Energy: 1.4592666035060318
Energy: 2.0516041310451505
Energy: 2.109295868436455
Energy: 2.051604131043968
Energy: 1.4630030445278814
Energy: 1.7645949152422518
Energy: 1.9282018400098877
Energy: 1.7645949152410698
Energy: 1.4630030445278814
Energy: 1.7645949152422518
Energy: 1.8515810660074263
Energy: 1.4740432975108462
Energy: 1.3028126174539953
Energy: 1.474043297509664
Energy: 1.8515810660074263
Energy: 1.4740432975155753
Energy: 1.261406390679824
Energy: 1.4205289624396589
Energy: 1.993192964659327
Energy: 1.4205289624396589
Energy: 1.261406390679824
Energy: 1.4205289624384765
Energy: 2.005850089367957
Energy: 1.727069948813242
Energy: 1.3918101609785642
Energy: 1.727069948804966
Energy: 2.005850089367957
Energy: 1.7270699488108772

minimum gb energy = 1.250625535239531 eV
minimum distance =  2.24964779165979 Angstroms
sigma value = 33


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

Energy: 1.6713408297074752
Energy: 2.0289607049310585
Energy: 2.047008854181962
Energy: 2.0289607049310585
Energy: 1.6713408297074752
Energy: 2.0289607049310585
Energy: 2.057726651862851
Energy: 1.5825276651851663
Energy: 1.2164947124532917
Energy: 1.5825276651859164
Energy: 2.057726651862851
Energy: 1.5825276651859164
Energy: 1.2297535583393062
Energy: 1.282256921122627
Energy: 1.7955062439032858
Energy: 1.2822569211218766
Energy: 1.2297535583393062
Energy: 1.282256921123377
Energy: 1.2950703208445633
Energy: 1.5892397358859978
Energy: 1.2495508891510978
Energy: 1.5892397358852477
Energy: 1.2950703208460632
Energy: 1.5892397358874977
Energy: 1.596787893509897
Energy: 2.0643065791530404
Energy: 1.734696531199754
Energy: 2.0643065791530404
Energy: 1.596787893509897
Energy: 2.0643065791522908
Energy: 1.5744830737114102
Energy: 1.5890764365828736
Energy: 1.2280008530791617
Energy: 1.5890764365828736
Energy: 1.5744830737136604
Energy: 1.5890764365821235
Energy: 1.1924443949023313
Energy: 1.2027013853953183
Energy: 1.2583194830066524
Energy: 1.2027013853953183
Energy: 1.1924443949023313
Energy: 1.2027013853953183
Energy: 1.2596080425049454
Energy: 1.7152353611337054
Energy: 1.5960666029077935
Energy: 1.7152353611337054
Energy: 1.2596080425049454
Energy: 1.7152353611337054
Energy: 1.5803449010631416
Energy: 1.5032473867773277
Energy: 1.6050317956144282
Energy: 1.5032473867773277
Energy: 1.5803449010638915
Energy: 1.5032473867773277
Energy: 1.2443824070285168
Energy: 1.5473547546032826
Energy: 1.2247363383093812
Energy: 1.5473547546017825
Energy: 1.2443824070277667
Energy: 1.4602856096473877
Energy: 1.224476510517311
Energy: 1.7492759376566445
Energy: 1.2111948030441861
Energy: 1.7492759376566445
Energy: 1.2244765105180608
Energy: 1.7492759376566445
Energy: 1.224316181077143
Energy: 1.702464524855313
Energy: 2.026871622070697
Energy: 1.702464524855313
Energy: 1.224316181076393
Energy: 1.702464524855313
Energy: 1.62769453926474
Energy: 1.688880587258316
Energy: 1.6537038360013687
Energy: 1.688880587478715
Energy: 1.6276945392639899
Energy: 1.6888805867163015
Energy: 1.2163215711913362
Energy: 1.6311494299781846
Energy: 1.2062906024968139
Energy: 1.6311494299774345
Energy: 1.2163215711913362
Energy: 1.6311494299766844
Energy: 1.6887703675450978
Energy: 1.2827982728798162
Energy: 1.2318948975396298
Energy: 1.2827982728805662
Energy: 1.6887703675465975
Energy: 1.2827982728790661
Energy: 1.248947915985008
Energy: 1.5566708150170883
Energy: 2.1018275702734073
Energy: 1.5566708150155886
Energy: 1.2489479159857582
Energy: 1.5566708150148385
Energy: 2.008166160038344
Energy: 1.759708812360263
Energy: 1.6410459159601227
Energy: 1.759708812360263
Energy: 2.008166160038344
Energy: 1.759708812361013
Energy: 1.1970145940245676
Energy: 1.2146519775762397
Energy: 1.874126347969847
Energy: 1.2146519775784899
Energy: 1.1970145940245676
Energy: 1.2146519775769897
Energy: 1.394612704992767
Energy: 1.2158929797711602
Energy: 1.1989519190924103
Energy: 1.2158929797711602
Energy: 1.3946127050587331
Energy: 1.2158929797704103
Energy: 1.5915989799808374
Energy: 1.708446865059662
Energy: 1.2634192469143382
Energy: 1.708446865055912
Energy: 1.5915989799808374
Energy: 1.7084468650574118
Energy: 1.9956049333851358
Energy: 1.8479210879981804
Energy: 1.2475454895165716
Energy: 1.8479210879981804
Energy: 1.995604933385886
Energy: 1.8479210879981804
Energy: 1.2256355376857193
Energy: 1.6023341457109188
Energy: 1.5621591941382005
Energy: 1.6023341457116689
Energy: 1.2256355376857193
Energy: 1.602334145710169
Energy: 1.208381215241228
Energy: 1.6311386950440765
Energy: 1.2276348438869737
Energy: 1.6311386950440765
Energy: 1.208381215241228
Energy: 1.6311386950448266
Energy: 1.6331790100753083
Energy: 1.7265139452942464
Energy: 1.2323821647583968
Energy: 1.7265139452942464
Energy: 1.6331790100753083
Energy: 1.7265139452934963
Energy: 1.9929817142832218
Energy: 1.7105945307900605
Energy: 1.2240103530877693
Energy: 1.7105945307900605
Energy: 1.9929817142839716
Energy: 1.7105945307893102
Energy: 1.208575095615178
Energy: 1.7342762255311523
Energy: 1.2244111805276312
Energy: 1.7342762255296522
Energy: 1.2085750956144277
Energy: 1.734276225530402
Energy: 1.224545750821239
Energy: 1.1957714506142783
Energy: 1.5612732743941629
Energy: 1.1957714506502446
Energy: 1.2245457508219892
Energy: 1.1957714506150283
Energy: 1.5959061970379027
Energy: 1.4304262455232497
Energy: 1.2441111412606467
Energy: 1.4304262455232497
Energy: 1.5959061970341526
Energy: 1.4304262455232497
Energy: 1.597248193676555
Energy: 1.7088684376749266
Energy: 1.274287106747038
Energy: 1.7088684376794268
Energy: 1.5972481936773053
Energy: 1.7088684376794268
Energy: 1.2573600996911776
Energy: 1.2077028235216007
Energy: 1.1887984230984738
Energy: 1.2077028235223508
Energy: 1.2573600996919276
Energy: 1.2077028235201008
Energy: 1.2294091532575278
Energy: 1.465835839650251
Energy: 1.9858225949983872
Energy: 1.4658358396457514
Energy: 1.2294091532575278
Energy: 1.4658358396607516
Energy: 1.6201600984610858
Energy: 2.1595210743402657
Energy: 1.5915758241604685
Energy: 2.1595210743402657
Energy: 1.6201600984790863
Energy: 2.1595210743410154
Energy: 1.2562185812534528
Energy: 1.5897673476692216
Energy: 1.860714539556988
Energy: 1.5897673476669716
Energy: 1.2562185812534528
Energy: 1.5897673476662217
Energy: 1.9182336099219373
Energy: 1.282270833333521
Energy: 1.24138947213593
Energy: 1.2822708333327713
Energy: 1.9182336099211872
Energy: 1.282270833333521
Energy: 1.2443676226576894
Energy: 1.7775167657363782
Energy: 1.8532602236168314
Energy: 1.7775167657363782
Energy: 1.2443676226584393
Energy: 1.7775167657363782
Energy: 1.6291542540252717
Energy: 2.0236709994849327
Energy: 1.6768879378642487
Energy: 2.0236709994849327
Energy: 1.6291542540252717
Energy: 2.0236709994834325
Energy: 1.2274240896375375
Energy: 1.7801040210404186
Energy: 2.0369881068404605
Energy: 1.7801040210396688
Energy: 1.2274240896367876
Energy: 1.7801040210419186

minimum gb energy = 1.1887984230984738 eV
minimum distance =  2.22557448171451 Angstroms
sigma value = 41


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

Energy: 1.0683979797619758
Energy: 1.002647235579586
Energy: 2.246373890283341
Energy: 1.002647235579586
Energy: 1.0683979797640235
Energy: 1.002647235579586
Energy: 1.92457859698058
Energy: 1.0172757504265353
Energy: 0.9902489585941573
Energy: 1.0172757504265353
Energy: 1.924578596978532
Energy: 1.0172757504265353
Energy: 1.0602280243582298
Energy: 1.2257003517047824
Energy: 0.9823571953065822
Energy: 1.2257003517047824
Energy: 1.0602280243582298
Energy: 1.2257003517047824
Energy: 1.9186765341897136
Energy: 1.0236749824506628
Energy: 0.9900605068859535
Energy: 1.0236749824506628
Energy: 1.9186765341897136
Energy: 1.0236749824506628
Energy: 1.0422248760892936
Energy: 1.576721534447702
Energy: 0.9821516184715026
Energy: 1.576721534447702
Energy: 1.0422248760892936
Energy: 1.5767215344497498
Energy: 1.0667817223178333
Energy: 1.0651001036668557
Energy: 0.9884465761963913
Energy: 1.0651001036668557
Energy: 1.0667817223178333
Energy: 1.0651001036668557
Energy: 1.8428460551238863
Energy: 0.9978896284748058
Energy: 0.9886958836371662
Energy: 0.9978896284748058
Energy: 1.8428460551238863
Energy: 0.9978896284748058
Energy: 1.0812013749983158
Energy: 1.0169072628230418
Energy: 0.9887613985834292
Energy: 1.0169072628230418
Energy: 1.0812013749983158
Energy: 1.0169072628230418
Energy: 1.8265928054225877
Energy: 1.0632875763856178
Energy: 0.98859795899645
Energy: 1.0632875763856178
Energy: 1.8265928054225877
Energy: 1.0632875763856178
Energy: 1.068934181026748
Energy: 1.4789174200547177
Energy: 0.9829876222596826
Energy: 1.4789174200547177
Energy: 1.068934181026748
Energy: 1.4789174200547177
Energy: 1.8408840355853437
Energy: 1.0059091208822293
Energy: 0.9959607823678638
Energy: 1.0059091208822293
Energy: 1.8408840355853437
Energy: 1.0059091208822293
Energy: 1.0817377279146616
Energy: 1.2400434629558725
Energy: 1.7987005550439246
Energy: 1.2400434629558725
Energy: 1.0817377279146616
Energy: 1.2400434629558725
Energy: 1.8406505666903779
Energy: 1.005827230625812
Energy: 0.9959414472641283
Energy: 1.0058272306237643
Energy: 1.8406505666903779
Energy: 1.0058272306237643
Energy: 1.069121031124556
Energy: 1.0039011672822904
Energy: 0.9824613421928039
Energy: 1.0039011673825833
Energy: 1.069121031124556
Energy: 1.0039011674992577

minimum gb energy = 0.9821516184715026 eV
minimum distance =  2.36086929665285 Angstroms
sigma value = 11


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

Energy: 1.7555019620042673
Energy: 1.4037215949328954
Energy: 2.034915691348358
Energy: 1.403721594933795
Energy: 1.7555019620042673
Energy: 1.403721594933795
Energy: 1.7324872260476165
Energy: 1.8338510643813664
Energy: 1.3045748858556292
Energy: 1.833851064382266
Energy: 1.7324872260476165
Energy: 1.833851064382266
Energy: 1.3743361429009582
Energy: 1.6413773049342646
Energy: 1.3640446785157343
Energy: 1.641377304935164
Energy: 1.3743361429009582
Energy: 1.6413773049342646
Energy: 1.3390268550017466
Energy: 1.3341263114267137
Energy: 1.324110233817879
Energy: 1.3341263114258142
Energy: 1.339026855002646
Energy: 1.3341263114267137
Energy: 1.7122039216748937
Energy: 1.5802628858892762
Energy: 1.3809818692841263
Energy: 1.5802628858892762
Energy: 1.7122039216757927
Energy: 1.5802628858901757
Energy: 1.4063027661043672
Energy: 1.6594567814369514
Energy: 1.7215302945159887
Energy: 1.659456781437851
Energy: 1.4063027661034675
Energy: 1.6594567814387502
Energy: 1.3810254699691396
Energy: 1.9172510140613612
Energy: 1.4174643804036124
Energy: 1.9172510140613612
Energy: 1.3810254699691396
Energy: 1.9172510140604615
Energy: 1.3292638476093297
Energy: 1.3424447987343786
Energy: 1.439535075102876
Energy: 1.342444798733479
Energy: 1.3292638476093297
Energy: 1.3424447987325794
Energy: 1.7539331326025218
Energy: 1.491745573344668
Energy: 1.3247527496175235
Energy: 1.491745573344668
Energy: 1.7539331326025218
Energy: 1.491745573344668
Energy: 1.300938247574903
Energy: 1.8026341938793733
Energy: 1.5126916241940953
Energy: 1.8026341938793733
Energy: 1.300938247574903
Energy: 1.8026341938793733
Energy: 1.4739992735110312
Energy: 1.8297075589511853
Energy: 1.7431970972759634
Energy: 1.8297075589511853
Energy: 1.4739992735119307
Energy: 1.8297075589493863
Energy: 1.3692248429095069
Energy: 1.6250970509325664
Energy: 1.8188302634488454
Energy: 1.6250970509316667
Energy: 1.3692248429086071
Energy: 1.6250970509325664
Energy: 1.3040207177946148
Energy: 1.820579752644438
Energy: 1.5791204167599244
Energy: 1.8205797526453376
Energy: 1.3040207177946148
Energy: 1.820579752644438
Energy: 1.3883676854387785
Energy: 1.4988041151993121
Energy: 1.3499005613560104
Energy: 1.4988041151984126
Energy: 1.3883676854387785
Energy: 1.4988041151984126
Energy: 1.3277532717934426
Energy: 1.675179202649202
Energy: 1.5552515997747782
Energy: 1.675179202649202
Energy: 1.3277532717934426
Energy: 1.675179202649202
Energy: 1.906720532538141
Energy: 1.8830586577428097
Energy: 1.332043597876428
Energy: 1.8830586577428097
Energy: 1.906720532538141
Energy: 1.88305865774191
Energy: 1.4176366899441304
Energy: 1.883075449260126
Energy: 1.5557048372269286
Energy: 1.8830754492592263
Energy: 1.4176366899441304
Energy: 1.883075449260126
Energy: 1.5537554594178522
Energy: 1.66924885750468
Energy: 1.3228845485009793
Energy: 1.66924885750468
Energy: 1.5537554594169525
Energy: 1.6692488575064792
Energy: 1.3391346593579294
Energy: 1.7031670007725659
Energy: 1.382071226395495
Energy: 1.7031670007725659
Energy: 1.3391346593579294
Energy: 1.7031670007716664
Energy: 1.3598408338010712
Energy: 1.7841664786534417
Energy: 1.3616656065300774
Energy: 1.7841664786534417
Energy: 1.3598408338010712
Energy: 1.7841664786534417
Energy: 1.8335134934086066
Energy: 1.6259980784776111
Energy: 1.3725595887976478
Energy: 1.6259980784776111
Energy: 1.8335134934077069
Energy: 1.6259980784767116
Energy: 1.774046707510612
Energy: 1.4021446720737283
Energy: 1.6079120561367048
Energy: 1.4021446720728286
Energy: 1.774046707510612
Energy: 1.4021446720755275
Energy: 1.6634037488867226
Energy: 1.801104956513605
Energy: 1.2994243049048395
Energy: 1.801104956513605
Energy: 1.6634037488867226
Energy: 1.8011049565145048
Energy: 1.3252405295873515
Energy: 1.492680790016828
Energy: 1.8096347083577686
Energy: 1.4926807900159285
Energy: 1.3252405295873515
Energy: 1.492680790016828
Energy: 1.4397613565635745
Energy: 1.4073711959037385
Energy: 1.3345145212847558
Energy: 1.4073711959028392
Energy: 1.4397613565635745
Energy: 1.4073711959028392
Energy: 1.4184836677874813
Energy: 1.8179566182589681
Energy: 1.3807884375388901
Energy: 1.8179566182589681
Energy: 1.4184836677865815
Energy: 1.8179566182589681
Energy: 1.5614240332339984
Energy: 1.6229505431765492
Energy: 1.712116416070861
Energy: 1.6229505431765492
Energy: 1.5614240332339984
Energy: 1.6229505431765492
Energy: 1.3807412734121354
Energy: 1.8207109869037448
Energy: 1.4075349352934117
Energy: 1.8207109869037448
Energy: 1.3807412734112356
Energy: 1.8207109869037448
Energy: 1.3240091926789321
Energy: 1.3343534939839419
Energy: 1.33875305344222
Energy: 1.3343534939830421
Energy: 1.3240091926789321
Energy: 1.3343534939821424
Energy: 1.3640060740248756
Energy: 1.638767662915688
Energy: 1.3782484564657798
Energy: 1.6387676629147885
Energy: 1.3640060740248756
Energy: 1.638767662913889
Energy: 1.3136507362815515
Energy: 1.8378595176982586
Energy: 1.6908960527911576
Energy: 1.8378595176982586
Energy: 1.3136507362815515
Energy: 1.8378595176973591

minimum gb energy = 1.2994243049048395 eV
minimum distance =  2.21234450253854 Angstroms
sigma value = 57


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

Energy: 1.4600926809939434
Energy: 1.8619602781713123
Energy: 1.9569529644822203
Energy: 1.8619602781713123
Energy: 1.4600926809939434
Energy: 1.8619602781713123
Energy: 1.4585554900182935
Energy: 1.8056512061116496
Energy: 1.4644813677756507
Energy: 1.7579479386724326
Energy: 1.4585554900182935
Energy: 1.830475013409059
Energy: 1.4563072636650967
Energy: 1.6187093605121827
Energy: 1.3454026657446219
Energy: 1.6187093605121827
Energy: 1.4563072636650967
Energy: 1.6187093605121827
Energy: 1.3882461089393758
Energy: 1.7785611831903223
Energy: 1.4449956490907465
Energy: 1.639606852037127
Energy: 1.3882461089393758
Energy: 1.659097537809785
Energy: 1.3454670346899054
Energy: 1.5361921181246492
Energy: 1.4815157582609233
Energy: 1.5361921181262501
Energy: 1.3454670346899054
Energy: 1.5361921181246492
Energy: 1.465484958084022
Energy: 1.757977097253524
Energy: 1.4578652968880277
Energy: 1.757977097253524
Energy: 1.465484958084022
Energy: 1.757977097253524
Energy: 1.9862514415809893
Energy: 1.8619602781713123
Energy: 1.4600926809939434
Energy: 1.8619602781713123
Energy: 1.9862514415809893
Energy: 1.8619602781713123
Energy: 1.4644813677756507
Energy: 1.8056512061116496
Energy: 1.4585554900182935
Energy: 1.8056512061116496
Energy: 1.46448136777405
Energy: 1.7579479386724326
Energy: 1.3454026657462228
Energy: 1.6187093605121827
Energy: 1.456307263663496
Energy: 1.6187093605121827
Energy: 1.3454026657462228
Energy: 1.6187093605121827
Energy: 1.4449956490907465
Energy: 1.7626706979673707
Energy: 1.388246108937775
Energy: 1.6590975378081843
Energy: 1.4449956490907465
Energy: 1.6396068520355263
Energy: 1.4815157582609233
Energy: 1.5361921181246492
Energy: 1.3454670346915063
Energy: 1.5361921181246492
Energy: 1.4815157582609233
Energy: 1.5361921181262501
Energy: 1.4578652968864267
Energy: 1.757977097253524
Energy: 1.465484958084022
Energy: 1.757977097253524
Energy: 1.4578652968864267
Energy: 1.757977097253524
Energy: 1.4600926809939434
Energy: 1.8619602781713123
Energy: 1.9375651962709048
Energy: 1.8619602781713123
Energy: 1.4600926809939434
Energy: 1.8619602781713123
Energy: 1.4585554900182935
Energy: 1.830475013409059
Energy: 1.4644813677756507
Energy: 1.830475013409059
Energy: 1.4585554900198943
Energy: 1.830475013409059
Energy: 1.4563072636650967
Energy: 1.6187093605121827
Energy: 1.3454026657446219
Energy: 1.6187093605121827
Energy: 1.4563072636650967
Energy: 1.6187093605121827
Energy: 1.3882461089393758
Energy: 1.659097537809785
Energy: 1.4449956490923472
Energy: 1.889352610334242
Energy: 1.388246108937775
Energy: 1.659097537809785
Energy: 1.3454670346899054
Energy: 1.5361921181262501
Energy: 1.4815157582609233
Energy: 1.5361921181262501
Energy: 1.3454670346899054
Energy: 1.5361921181246492

minimum gb energy = 1.3454026657446219 eV
minimum distance =  2.26019694699594 Angstroms
sigma value = 9


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

Energy: 1.7031447584435102
Energy: 1.6379484991177948
Energy: 1.8664009286377663
Energy: 1.6379484991177948
Energy: 1.7031447584435102
Energy: 1.6379484991177948
Energy: 1.8187883041922146
Energy: 1.6267108103840253
Energy: 1.63324094978462
Energy: 1.6267108103840253
Energy: 1.8187883041922146
Energy: 1.6267108103853323
Energy: 1.6520445258800236
Energy: 1.7470685464714848
Energy: 1.577003798303837
Energy: 1.7470685464714848
Energy: 1.6520445258800236
Energy: 1.7470685464714848
Energy: 1.526946224464579
Energy: 1.7297261178618635
Energy: 1.5630540828162285
Energy: 1.7297261178618635
Energy: 1.5269462244658862
Energy: 1.7297261178618635
Energy: 1.588557584991551
Energy: 1.670080623269043
Energy: 1.680581078634582
Energy: 1.6700806232716572
Energy: 1.588557584991551
Energy: 1.6700806232716572
Energy: 1.5258647533684755
Energy: 1.6765327326059674
Energy: 1.6454651178828796
Energy: 1.6765327326072743
Energy: 1.5258647533697827
Energy: 1.6765327326072743
Energy: 1.6589786202065848
Energy: 1.6766860602030556
Energy: 1.5811205990556074
Energy: 1.6766860602043625
Energy: 1.6589786202065848
Energy: 1.6766860602043625
Energy: 1.580648130075028
Energy: 1.6756645717303238
Energy: 1.6184753376166183
Energy: 1.6756645717303238
Energy: 1.580648130075028
Energy: 1.6756645717303238
Energy: 1.5760618958733685
Energy: 1.6931443376005368
Energy: 1.4886845598362577
Energy: 1.6931443376005368
Energy: 1.5760618958720616
Energy: 1.693144337601844
Energy: 1.783983216656108
Energy: 1.7239447025802705
Energy: 1.5404451886243478
Energy: 1.7239447025802705
Energy: 1.7839832166548009
Energy: 1.7239447025802705
Energy: 1.6147469127721847
Energy: 1.631422666652244
Energy: 1.4593747543686781
Energy: 1.631422666652244
Energy: 1.6147469127721847
Energy: 1.6314226666535512
Energy: 1.575239631535383
Energy: 1.64939875944317
Energy: 1.5634244742010917
Energy: 1.6493987594418633
Energy: 1.5752396315366897
Energy: 1.6493987594418633
Energy: 1.5808182943721643
Energy: 1.6269869956713419
Energy: 1.5276650650260193
Energy: 1.6269869956713419
Energy: 1.5808182943721643
Energy: 1.6269869956713419
Energy: 1.5864752422202493
Energy: 1.6531200726013902
Energy: 1.4861919696640946
Energy: 1.6531200726013902
Energy: 1.5864752422202493
Energy: 1.653120072602697
Energy: 1.7854148593163917
Energy: 1.677135073410962
Energy: 1.5279337673717708
Energy: 1.677135073410962
Energy: 1.7854148593163917
Energy: 1.6771350734096548
Energy: 1.579616029923415
Energy: 1.6927947548000837
Energy: 1.5191605334559009
Energy: 1.6927947548000837
Energy: 1.5796160299247222
Energy: 1.6927947547987767
Energy: 1.5763106836160894
Energy: 1.6934289126870983
Energy: 1.52016721367388
Energy: 1.6934289126870983
Energy: 1.5763106836160894
Energy: 1.6934289126857913
Energy: 1.5927005794223685
Energy: 1.6763245144228314
Energy: 1.5409574225580822
Energy: 1.6763245144241383
Energy: 1.5927005794210616
Energy: 1.6763245144241383
Energy: 1.526318836484932
Energy: 1.6750939989485099
Energy: 1.5189175321205928
Energy: 1.6750939989445888
Energy: 1.5263188364862392
Energy: 1.6750939989432818
Energy: 1.5795778639784968
Energy: 1.6700056500980505
Energy: 1.7184984441783455
Energy: 1.6700056500954366
Energy: 1.5795778639798037
Energy: 1.6700056500967437
Energy: 1.4989820675368422
Energy: 1.734805062601685
Energy: 1.5671220235418302
Energy: 1.7348050626029923
Energy: 1.4989820675368422
Energy: 1.734805062601685

minimum gb energy = 1.4593747543686781 eV
minimum distance =  2.2519961217994 Angstroms
sigma value = 27


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

Energy: 1.6607152009044464
Energy: 1.7621418682143968
Energy: 1.9808719029914086
Energy: 1.7621418682143968
Energy: 1.6607152009033448
Energy: 1.7621418682143968
Energy: 1.7454632312615268
Energy: 1.7106373221815667
Energy: 1.6498352318714133
Energy: 1.710637322180465
Energy: 1.7454632312615268
Energy: 1.71063732218377
Energy: 1.5554597931587095
Energy: 1.741040228672313
Energy: 1.6501027193921722
Energy: 1.741040228672313
Energy: 1.5554597931598113
Energy: 1.741040228672313
Energy: 1.5876620261315202
Energy: 1.5904326758336043
Energy: 1.7673675958534103
Energy: 1.5904326758336043
Energy: 1.587662026132622
Energy: 1.5904326758336043
Energy: 1.5743812202561223
Energy: 1.8335561826682083
Energy: 1.7218834689347606
Energy: 1.8335561826671063
Energy: 1.5743812202561223
Energy: 1.8335561826682083
Energy: 1.5403219176475096
Energy: 1.7179842434487576
Energy: 1.5793365966274655
Energy: 1.717984243447656
Energy: 1.5403219176475096
Energy: 1.7179842434487576
Energy: 1.6933064214417364
Energy: 1.5925732888565176
Energy: 1.5420076142590347
Energy: 1.5925732888554163
Energy: 1.6933064214417364
Energy: 1.5925732888565176
Energy: 1.691512169311922
Energy: 1.6347892404353792
Energy: 1.5445180479219998
Energy: 1.6347892404353792
Energy: 1.6915121693130237
Energy: 1.634789240436481
Energy: 1.6257413279007094
Energy: 1.6277132502638452
Energy: 1.7576250795171262
Energy: 1.6277132502638452
Energy: 1.6257413279007094
Energy: 1.6277132502638452
Energy: 1.5900699376247012
Energy: 1.747509124929728
Energy: 1.6218787329442668
Energy: 1.747509124929728
Energy: 1.5900699376247012
Energy: 1.747509124929728
Energy: 1.5900796645164126
Energy: 1.7448742216361743
Energy: 1.6215507901430366
Energy: 1.7448742216361743
Energy: 1.5900796645164126
Energy: 1.7448742216361743
Energy: 1.6263935578285935
Energy: 1.6274607956670106
Energy: 1.757628138504676
Energy: 1.6274607956670106
Energy: 1.6263935578285935
Energy: 1.6274607956670106
Energy: 1.6911522875883669
Energy: 1.634677167185125
Energy: 1.5419790415366854
Energy: 1.6346771671829214
Energy: 1.6911522875883669
Energy: 1.634677167185125
Energy: 1.6946685838491717
Energy: 1.5923377029179875
Energy: 1.5421609511170384
Energy: 1.5923377029179875
Energy: 1.6946685838491717
Energy: 1.5923377029179875
Energy: 1.5402274430103917
Energy: 1.7184122187488151
Energy: 1.5793366717360342
Energy: 1.7184122187477135
Energy: 1.5402274430103917
Energy: 1.7184122187488151
Energy: 1.5744853798790974
Energy: 1.8335561826682083
Energy: 1.7217968640114487
Energy: 1.8335561826682083
Energy: 1.5744853798790974
Energy: 1.8335561826682083
Energy: 1.587860244664206
Energy: 1.590641518395805
Energy: 1.5117909714085627
Energy: 1.590641518395805
Energy: 1.5878602446653078
Energy: 1.590641518395805
Energy: 1.555527292343159
Energy: 1.7409627719084553
Energy: 1.654861337393669
Energy: 1.7409627719084553
Energy: 1.5555272923420569
Energy: 1.7409627719084553
Energy: 1.7452942617288607
Energy: 1.710337873619865
Energy: 1.6497983281017563
Energy: 1.7103378736187633
Energy: 1.7452942617277591
Energy: 1.710337873619865
Energy: 1.6607152009033448
Energy: 1.7621418682143968
Energy: 1.8475606733738241
Energy: 1.7621418682143968
Energy: 1.6607152009033448
Energy: 1.7621418682143968
Energy: 1.7454632312615268
Energy: 1.71063732218377
Energy: 1.6498352318714133
Energy: 1.71063732218377
Energy: 1.7454632312615268
Energy: 1.7106373221848719
Energy: 1.5554597931587095
Energy: 1.741040228672313
Energy: 1.6501027193932742
Energy: 1.741040228672313
Energy: 1.5554597931598113
Energy: 1.741040228672313
Energy: 1.5876620261315202
Energy: 1.5904326758325023
Energy: 1.767367595854512
Energy: 1.5904326758336043
Energy: 1.5876620261315202
Energy: 1.5904326758336043
Energy: 1.5743812202561223
Energy: 1.8335561826682083
Energy: 1.7218834689347606
Energy: 1.8335561826682083
Energy: 1.574381220257224
Energy: 1.8335561826682083
Energy: 1.5403219176475096
Energy: 1.717984243447656
Energy: 1.5793365966274655
Energy: 1.7179842434487576
Energy: 1.5403219176475096
Energy: 1.7179842434498596

minimum gb energy = 1.5117909714085627 eV
minimum distance =  2.23257569361134 Angstroms
sigma value = 19


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

Energy: 1.783161450190289
Energy: 1.7733104079344488
Energy: 1.9519993489334666
Energy: 1.7733104079344488
Energy: 1.783161450190289
Energy: 1.7733104079344488
Energy: 1.6231047723780976
Energy: 1.757838870421749
Energy: 1.5009306068788997
Energy: 1.757838870420798
Energy: 1.6231047723780976
Energy: 1.757838870420798
Energy: 1.4780679295645633
Energy: 1.6336051675898757
Energy: 1.497588546131298
Energy: 1.6336051675908265
Energy: 1.4780679295645633
Energy: 1.6336051675908265
Energy: 1.5545441788808247
Energy: 1.5736245035186545
Energy: 1.3820086214189748
Energy: 1.5736245035186545
Energy: 1.5545441788817755
Energy: 1.5736245035186545
Energy: 1.5282951929799904
Energy: 1.616194630592253
Energy: 1.5402171325861207
Energy: 1.616194630592253
Energy: 1.5282951929790394
Energy: 1.6161946305932042
Energy: 1.4712792860432493
Energy: 1.6052089554585538
Energy: 1.5656129243552588
Energy: 1.6052089554585538
Energy: 1.4712792860432493
Energy: 1.6052089554585538
Energy: 1.6166645868295242
Energy: 1.660843094909255
Energy: 1.39187463321761
Energy: 1.660843094909255
Energy: 1.6166645868285732
Energy: 1.660843094909255
Energy: 1.502638703945357
Energy: 1.6477285976913247
Energy: 1.4175459934908272
Energy: 1.6477285976913247
Energy: 1.502638703945357
Energy: 1.6477285976913247
Energy: 1.597727973742013
Energy: 1.575145404571003
Energy: 1.5375161937947568
Energy: 1.575145404571003
Energy: 1.597727973742013
Energy: 1.575145404571003
Energy: 1.555119054164294
Energy: 1.5851759180773204
Energy: 1.6100396410659035
Energy: 1.5851759180754186
Energy: 1.555119054163343
Energy: 1.5851759180801737
Energy: 1.634711110632585
Energy: 1.5742751841047844
Energy: 1.6232791476049167
Energy: 1.5742751841047844
Energy: 1.6347111106316339
Energy: 1.5742751841047844
Energy: 1.7544154255647288
Energy: 1.7695551662544096
Energy: 1.6093055091221538
Energy: 1.7695551662544096
Energy: 1.7544154255647288
Energy: 1.7695551662544096
Energy: 1.6514450618142187
Energy: 1.7355141183530363
Energy: 1.6093775404448938
Energy: 1.7355141183530363
Energy: 1.6514450618151695
Energy: 1.7355141183530363
Energy: 1.4519461718938462
Energy: 1.5689184876859146
Energy: 1.6497735355539214
Energy: 1.5689184876859146
Energy: 1.4519461718938462
Energy: 1.5689184876868656
Energy: 1.5529516143683457
Energy: 1.598432731445837
Energy: 1.6091904049576191
Energy: 1.598432731445837
Energy: 1.5529516143683457
Energy: 1.5984327314477391
Energy: 1.542652280520952
Energy: 1.588120248295305
Energy: 1.6673605444645037
Energy: 1.588120248296256
Energy: 1.542652280520952
Energy: 1.588120248296256
Energy: 1.5496185951162416
Energy: 1.5930393607416269
Energy: 1.5593666904610783
Energy: 1.5930393607416269
Energy: 1.5496185951162416
Energy: 1.5930393607416269
Energy: 1.715679396535862
Energy: 1.7450866480070553
Energy: 1.5643304154358364
Energy: 1.7450866480070553
Energy: 1.715679396535862
Energy: 1.7450866480070553
Energy: 1.549597717984752
Energy: 1.592994505809268
Energy: 1.559442864585529
Energy: 1.5929945058101975
Energy: 1.549597717984752
Energy: 1.5929945058101975
Energy: 1.5425132872996774
Energy: 1.586941102784543
Energy: 1.6673358624437238
Energy: 1.586941102784543
Energy: 1.5425132872996774
Energy: 1.586941102784543
Energy: 1.553079905783518
Energy: 1.5984872447610774
Energy: 1.6092162073033278
Energy: 1.5984872447620286
Energy: 1.5530799057844693
Energy: 1.5984872447601264
Energy: 1.4523318219319072
Energy: 1.5685963835496075
Energy: 1.6475839320369101
Energy: 1.5685963835496075
Energy: 1.452331821930005
Energy: 1.5685963835496075
Energy: 1.707807318008457
Energy: 1.7354206094841218
Energy: 1.6094675197140762
Energy: 1.7354206094841218
Energy: 1.707807318007506
Energy: 1.7354206094831708
Energy: 1.754480827472019
Energy: 1.7693906011386538
Energy: 1.6095608759136972
Energy: 1.7693906011377027
Energy: 1.754480827472019
Energy: 1.7693906011386538
Energy: 1.634706769030437
Energy: 1.5734562191264696
Energy: 1.5038246188856945
Energy: 1.5734562191274206
Energy: 1.634706769030437
Energy: 1.5734562191264696
Energy: 1.5552505769291018
Energy: 1.639029503780685
Energy: 1.609863469837564
Energy: 1.639029503781636
Energy: 1.5552505769291018
Energy: 1.639029503780685
Energy: 1.5826354991189153
Energy: 1.5751325483571923
Energy: 1.5133742427757584
Energy: 1.5751325483571923
Energy: 1.5826354991189153
Energy: 1.5751325483571923
Energy: 1.5027088446563952
Energy: 1.6476923577794054
Energy: 1.4174957075236214
Energy: 1.6476923577794054
Energy: 1.5027088446563952
Energy: 1.6476923577794054
Energy: 1.6895672150182786
Energy: 1.660843094909255
Energy: 1.3920086581896245
Energy: 1.660843094909255
Energy: 1.6895672150173273
Energy: 1.660843094909255

minimum gb energy = 1.3820086214189748 eV
minimum distance =  2.25836671604232 Angstroms
sigma value = 101


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

Energy: 1.638617796114635
Energy: 1.615751908735967
Energy: 1.7844401635563116
Energy: 1.615751908735131
Energy: 1.638617796114635
Energy: 1.615751908735131
Energy: 1.603903799807498
Energy: 1.6732946926329628
Energy: 1.5827325650604918
Energy: 1.6732946926329628
Energy: 1.603903799807498
Energy: 1.6732946926329628
Energy: 1.5635381387810017
Energy: 1.5749978187488325
Energy: 1.547395757640555
Energy: 1.5749978187488325
Energy: 1.5635381387810017
Energy: 1.5749978187488325
Energy: 1.5908688041166208
Energy: 1.5388924352849467
Energy: 1.4446365201411817
Energy: 1.5570753419924555
Energy: 1.590868804117457
Energy: 1.5173775889264836
Energy: 1.5214987855153808
Energy: 1.585969890139822
Energy: 1.4923659503482325
Energy: 1.5859698901331343
Energy: 1.521498785516179
Energy: 1.5859698901364783
Energy: 1.4289098197282715
Energy: 1.5255795135043206
Energy: 1.5371966903843568
Energy: 1.5255795135034849
Energy: 1.4289098197291077
Energy: 1.5255795135034849
Energy: 1.478285512616347
Energy: 1.5600751058521767
Energy: 1.463020999346157
Energy: 1.5600751058521767
Energy: 1.478285512615511
Energy: 1.5600751058521767
Energy: 1.3714188326610588
Energy: 1.5596403639434964
Energy: 1.4495484525663662
Energy: 1.5684856516296042
Energy: 1.3714188326610588
Energy: 1.5596403639434964
Energy: 1.5261068784930678
Energy: 1.5338863380598668
Energy: 1.5450270179991232
Energy: 1.5338863380590309
Energy: 1.5261068784939038
Energy: 1.5338863380598668
Energy: 1.555595731970209
Energy: 1.5991409083949162
Energy: 1.5230594439301637
Energy: 1.5991409083949162
Energy: 1.555595731970209
Energy: 1.5991409083949162
Energy: 1.510813763221476
Energy: 1.512810513105182
Energy: 1.6519616901239196
Energy: 1.512810513104346
Energy: 1.51081376322064
Energy: 1.512810513105182
Energy: 1.6338031178469048
Energy: 1.5781477911544501
Energy: 1.5949042811854766
Energy: 1.5781477912789361
Energy: 1.6338031178469048
Energy: 1.5781477912321586
Energy: 1.5472693685010461
Energy: 1.5711575124980879
Energy: 1.6621182013132327
Energy: 1.5711575124972519
Energy: 1.5472693685010461
Energy: 1.5711575124972519
Energy: 1.5662988217431404
Energy: 1.7317223064472926
Energy: 1.7343709655811688
Energy: 1.7015897349439728
Energy: 1.5662988217431404
Energy: 1.7317223064472926
Energy: 1.5507224301272577
Energy: 1.787092112990307
Energy: 1.6409231266395534
Energy: 1.787092112990307
Energy: 1.550722430128094
Energy: 1.787092112990307
Energy: 1.5989298167203194
Energy: 1.568843260923812
Energy: 1.4975846367661914
Energy: 1.5688432609246479
Energy: 1.5989298167186474
Energy: 1.568843260923812
Energy: 1.5549054995770304
Energy: 1.5809181604799527
Energy: 1.4105655133182853
Energy: 1.5809181604791167
Energy: 1.5549054995770304
Energy: 1.5809181604799527
Energy: 1.4301596145856126
Energy: 1.5870053617829811
Energy: 1.4102072179354492
Energy: 1.5870053617821451
Energy: 1.4301596145856126
Energy: 1.5870053617829811
Energy: 1.586107096475892
Energy: 1.5313084875179115
Energy: 1.5447035735560672
Energy: 1.5313084875170755
Energy: 1.586107096476728
Energy: 1.5313084875179115
Energy: 1.46315627316324
Energy: 1.677815098592931
Energy: 1.611835782167024
Energy: 1.6778150985937672
Energy: 1.46315627316324
Energy: 1.677815098592931
Energy: 1.457243012678126
Energy: 1.5569677400020547
Energy: 1.3362517804041643
Energy: 1.5569677400020547
Energy: 1.457243012678126
Energy: 1.5569677400020547
Energy: 1.6047531732097144
Energy: 1.5250406187331085
Energy: 1.5182668781456021
Energy: 1.5250406187331085
Energy: 1.6047531732097144
Energy: 1.5250406187331085
Energy: 1.4292545332231337
Energy: 1.5375538261403436
Energy: 1.52633568910431
Energy: 1.5375538261403436
Energy: 1.4292545332231337
Energy: 1.5375538261395076
Energy: 1.590955650532521
Energy: 1.5619680799241595
Energy: 1.4555895266257253
Energy: 1.5619680799241595
Energy: 1.590955650532521
Energy: 1.5619680799233235
Energy: 1.5168063185995933
Energy: 1.8480601947532604
Energy: 1.614931044996622
Energy: 1.8480601947524244
Energy: 1.5168063185995933
Energy: 1.8480601947524244
Energy: 1.6234859351954134
Energy: 1.559910068778837
Energy: 1.5988185828282249
Energy: 1.559910068778837
Energy: 1.6234859351954134
Energy: 1.559910068778837
Energy: 1.550785718315379
Energy: 1.7560682138448178
Energy: 1.5547522322186544
Energy: 1.7560682138439818
Energy: 1.550785718314543
Energy: 1.756068213845654
Energy: 1.640442781378835
Energy: 1.7506492020400533
Energy: 1.5540395698089018
Energy: 1.7506492020400533
Energy: 1.640442781378835
Energy: 1.7506492020400533
Energy: 1.7455388287068117
Energy: 1.5776170261402307
Energy: 1.639770714524734
Energy: 1.5776170261402307
Energy: 1.7455388287068117
Energy: 1.5776170261402307
Energy: 1.410155228220028
Energy: 1.4767747591265035
Energy: 1.5803238113931866
Energy: 1.4767747591214875
Energy: 1.410155228220028
Energy: 1.476774759136535
Energy: 1.4105019538044794
Energy: 1.5426096801928273
Energy: 1.430516175872705
Energy: 1.5426096801928273
Energy: 1.4105019538044794
Energy: 1.5426096801928273
Energy: 1.4981961841727551
Energy: 1.5019260185764434
Energy: 1.4191783145732337
Energy: 1.5019260185756074
Energy: 1.4981961841727551
Energy: 1.5019260185756074
Energy: 1.6218792247146512
Energy: 1.6778039608413344
Energy: 1.4986859229992118
Energy: 1.6778039608413344
Energy: 1.6218792247154872
Energy: 1.6778039608413344

minimum gb energy = 1.3362517804041643 eV
minimum distance =  2.25371829494604 Angstroms
sigma value = 33


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

Energy: 0.014320653270001938
Energy: 0.015274385797088168
Energy: 1.496212007556063
Energy: 0.015274385797782761
Energy: 0.014320653270001938
Energy: 0.015274385797088168
Energy: 0.014413826734635435
Energy: 0.9251180927285819
Energy: 0.014413826734635435
Energy: 0.9251180927278874
Energy: 0.014413826734635435
Energy: 0.9251180927285819
Energy: 1.4444007778856724
Energy: 0.015274385797782761
Energy: 0.014320653270001938
Energy: 0.015274385797782761
Energy: 1.4444007778856724
Energy: 0.015274385797088168
Energy: 0.014413826734635435
Energy: 0.9251180927285819
Energy: 0.014413826734635435
Energy: 0.9251180927285819
Energy: 0.014413826734635435
Energy: 0.9251180927285819

minimum gb energy = 0.014320653270001938 eV
minimum distance =  2.47599146944381 Angstroms
sigma value = 1