Model name: model_name=MEAM_LAMMPS_ChoiKimSeol_2017_CoFe__MO_179158257180_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.611098572611809
cohesive_energy=4.242432836338272
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: 0.016431937050849294
Energy: 1.213725710202995
Energy: 0.016431937050849294
Energy: 1.213725710202995
Energy: 0.016431937050849294
Energy: 1.213725710202995
Energy: 1.213725710202995
Energy: 0.016789051514206173
Energy: 1.213725710202995
Energy: 0.016789051514834744
Energy: 1.213725710202995
Energy: 0.016789051514206173
Energy: 0.016431937050849294
Energy: 1.213725710202995
Energy: 0.016431937051163584
Energy: 1.2137257102026806
Energy: 0.016431937051163584
Energy: 1.213725710202995
Energy: 1.2137257102026806
Energy: 0.016789051513891883
Energy: 1.213725710202995
Energy: 0.016789051513891883
Energy: 1.213725710202995
Energy: 0.016789051513891883
Energy: 0.016431937050849294
Energy: 1.213725710202995
Energy: 0.016431937051163584
Energy: 1.2137257102026806
Energy: 0.016431937051163584
Energy: 1.213725710202995
Energy: 1.213725710202995
Energy: 0.016789051514520457
Energy: 1.213725710202995
Energy: 0.016789051514206173
Energy: 1.213725710202995
Energy: 0.016789051514520457

minimum gb energy = 0.016431937050849294 eV
minimum distance =  2.55091212021297 Angstroms
sigma value = 1


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

Energy: 1.1961036745516214
Energy: 1.0230143641615606
Energy: 1.1961036745508649
Energy: 1.0230143641615606
Energy: 1.1961036745493518
Energy: 1.0230143641615606
Energy: 1.3587710686256695
Energy: 0.9246976980190234
Energy: 1.358771068624913
Energy: 0.9246976980190234
Energy: 1.3587710686264263
Energy: 0.9246976980197799
Energy: 1.0674438466816356
Energy: 1.076871478786115
Energy: 1.0674438466839051
Energy: 1.0768714785849485
Energy: 1.0674438466823921
Energy: 1.076871478544921
Energy: 1.1950712019247232
Energy: 1.0029093028492457
Energy: 1.1950712019269927
Energy: 1.0029093028507587
Energy: 1.1950712019254797
Energy: 1.002909302850002
Energy: 1.0790399332255258
Energy: 1.1389324508864191
Energy: 1.0790399332270388
Energy: 1.1389324508871754
Energy: 1.079039933226282
Energy: 1.1389324508886887
Energy: 1.1142546116875405
Energy: 0.9915741220923471
Energy: 1.114254611688297
Energy: 0.99157412209386
Energy: 1.1142546116890535
Energy: 0.99157412209386
Energy: 1.0716884278846357
Energy: 1.1451180058753472
Energy: 1.0716884278740444
Energy: 1.145118005872321
Energy: 1.0716884278612522
Energy: 1.1451180058715646
Energy: 1.0044527882407437
Energy: 1.2403809470919602
Energy: 1.004452788239987
Energy: 1.2403809470919602
Energy: 1.0044527882392307
Energy: 1.2403809470927163
Energy: 1.1389114436904728
Energy: 1.1467527131039725
Energy: 1.1389114436912295
Energy: 1.1467527131047293
Energy: 1.1389114436904728
Energy: 1.1467527131039725
Energy: 0.9218179046816453
Energy: 1.22572615083536
Energy: 0.9218179046816453
Energy: 1.2257252975223696
Energy: 0.9218179046816453
Energy: 1.2257241676398545
Energy: 1.2824935323623572
Energy: 0.9985688214845826
Energy: 1.2824935323623572
Energy: 0.9985688214845826
Energy: 1.282493532361601
Energy: 0.9985688214845826
Energy: 0.873376169864366
Energy: 1.1495208020007337
Energy: 0.873376169864366
Energy: 1.1495206720276752
Energy: 0.873376169864366
Energy: 1.1495202420877566
Energy: 1.2341707504091322
Energy: 0.8609408466970948
Energy: 1.2341707504114015
Energy: 0.8609408466970948
Energy: 1.2341707504083756
Energy: 0.8609408466970948
Energy: 1.003425700330287
Energy: 1.0853772058632094
Energy: 1.0034257003295306
Energy: 1.0853772057127296
Energy: 1.0034257003310436
Energy: 1.0853772054223612
Energy: 1.312375402998225
Energy: 0.9259246899797888
Energy: 1.3123754034315078
Energy: 0.9259246899820585
Energy: 1.3123754025762902
Energy: 0.925924689981302
Energy: 1.3230106417238028
Energy: 1.1329115422753169
Energy: 1.3230106417222895
Energy: 1.1329115422775866
Energy: 1.3230106417215333
Energy: 1.1329115422768299
Energy: 1.1307508306237273
Energy: 1.0838000732676674
Energy: 1.1307508306252403
Energy: 1.0838000732653976
Energy: 1.1307508306237273
Energy: 1.0838000732661544
Energy: 1.1289784817571222
Energy: 1.0234448154750382
Energy: 1.1289784817578787
Energy: 1.0234448154614892
Energy: 1.1289784817578787
Energy: 1.0234448154750382
Energy: 1.003365906165501
Energy: 1.0025574075792485
Energy: 1.0033659061677704
Energy: 1.0025574074643255
Energy: 1.0033659061662574
Energy: 1.0025574072729933
Energy: 1.100566565225082
Energy: 0.9909956230441168
Energy: 1.1005665652258385
Energy: 0.9909956230426037
Energy: 1.1005665652258385
Energy: 0.9909956230418472
Energy: 0.9417072649221139
Energy: 1.2167519179498938
Energy: 0.9417072649221139
Energy: 1.2167519179514068
Energy: 0.9417072649228015
Energy: 1.2167519179498938
Energy: 1.140475077572551
Energy: 1.1522378237938438
Energy: 1.140475077572551
Energy: 1.1522378237946005
Energy: 1.1404750775717942
Energy: 1.1522378237938438
Energy: 0.8544366433437165
Energy: 1.4281773219376914
Energy: 0.8544366433452294
Energy: 1.4281773219376914
Energy: 0.8544366433437165
Energy: 1.4281773219376914

minimum gb energy = 0.8544366433437165 eV
minimum distance =  2.33861326376726 Angstroms
sigma value = 33


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

Energy: 1.2268579188903945
Energy: 1.2163466022593912
Energy: 1.2268579188895337
Energy: 1.2163466022585305
Energy: 1.226857918889964
Energy: 1.2163466022576699
Energy: 1.2585372048427705
Energy: 1.0386438428080171
Energy: 1.2585372048427705
Energy: 1.038643842807587
Energy: 1.2585372048466434
Energy: 1.0386438428071565
Energy: 0.8749046012249357
Energy: 1.0371798491147242
Energy: 0.8749046012245054
Energy: 1.0371798491138637
Energy: 0.8749046012241142
Energy: 1.0371798490970816
Energy: 1.0972482151917533
Energy: 1.0977780224911624
Energy: 1.0972482151930443
Energy: 1.0977779446264806
Energy: 1.0972482151917533
Energy: 1.0977777775157578
Energy: 1.0393246537859389
Energy: 1.0956258852683898
Energy: 1.0393246537855088
Energy: 1.0956258852675291
Energy: 1.0393246537855088
Energy: 1.0956258852688203
Energy: 1.0374345356084145
Energy: 0.8750940192108545
Energy: 0.8105954579685214
Energy: 0.8750940192108545
Energy: 0.8106803564290563
Energy: 0.8750940192104241
Energy: 1.217869125412504
Energy: 1.1986828797549176
Energy: 1.2178691228300635
Energy: 1.198682879754057
Energy: 1.2178691165107807
Energy: 1.198682879754057
Energy: 0.8638772058390872
Energy: 1.192847045088246
Energy: 0.8638772058386568
Energy: 1.192847045088246
Energy: 0.8638772058390872
Energy: 1.1928470450895372
Energy: 1.0861751417502155
Energy: 0.8791134748070059
Energy: 1.0861751417502155
Energy: 0.8791134748074363
Energy: 1.086175141751076
Energy: 0.8791134748074363
Energy: 0.8372428513579105
Energy: 1.1149042177269812
Energy: 0.8372428513574802
Energy: 1.1148864609803955
Energy: 0.8372428513570499
Energy: 1.1148461831277565
Energy: 1.1163283307140222
Energy: 0.841059113323407
Energy: 1.116328071204541
Energy: 0.8410591133238373
Energy: 1.116327566483533
Energy: 0.8410591133238373
Energy: 0.875844102173564
Energy: 0.9289039944580668
Energy: 0.875844102173564
Energy: 0.9289039944572062
Energy: 0.8758441021731338
Energy: 0.9289039944572062
Energy: 1.2497607506105899
Energy: 0.8630767061933062
Energy: 1.2497607506045656
Energy: 0.8630767061937366
Energy: 1.2497607505860624
Energy: 0.863076706192876
Energy: 1.1934512695664572
Energy: 1.2185486848737181
Energy: 1.1934512695651667
Energy: 1.2185486845485218
Energy: 1.1934512695655968
Energy: 1.2185486836861434
Energy: 1.0609857709311723
Energy: 1.0376584763246146
Energy: 1.0609857709290207
Energy: 1.0376584763246146
Energy: 1.0609857709298813
Energy: 1.037658476323754
Energy: 0.8748813546944778
Energy: 1.037245560826377
Energy: 0.8748813546953385
Energy: 1.037245560823365
Energy: 0.8748813546953385
Energy: 1.037245560826377
Energy: 1.0982667475898555
Energy: 1.0984137362711202
Energy: 1.0982667475231966
Energy: 1.0984137362724111
Energy: 1.0982667473666428
Energy: 1.0984137362685384
Energy: 1.0370022164381625
Energy: 0.8748460873440216
Energy: 1.0370022164390231
Energy: 0.8748460873435913
Energy: 1.0370022164175468
Energy: 0.8748460873435913
Energy: 1.0388108483799385
Energy: 1.0606156914750935
Energy: 1.0388108483786476
Energy: 1.0606156914781055
Energy: 1.038810848379078
Energy: 1.0606156914557685
Energy: 1.2191007729438754
Energy: 1.194764341203886
Energy: 1.2191007729451662
Energy: 1.194764341203886
Energy: 1.2191007729464571
Energy: 1.194764341203886
Energy: 0.8620986358312304
Energy: 1.258797925758483
Energy: 0.8620986358312304
Energy: 1.2587979257464343
Energy: 0.8620986358312304
Energy: 1.2587979257142003
Energy: 1.0373690980956611
Energy: 0.879052278966647
Energy: 1.0373690980930792
Energy: 0.879052278966647
Energy: 1.0373690980780186
Energy: 0.8790522789662166
Energy: 0.8377322725783761
Energy: 1.1143611394973894
Energy: 0.8377322725783761
Energy: 1.1143611046931003
Energy: 0.8377322725783761
Energy: 1.114361027787147
Energy: 1.1190413116898674
Energy: 1.0386330920668865
Energy: 1.1190413116890066
Energy: 1.0386330920668865
Energy: 1.1190413116890066
Energy: 1.0386330920668865
Energy: 0.8749355456567521
Energy: 1.0881197373437608
Energy: 0.8749355456567521
Energy: 1.0881197373424698
Energy: 0.8749355456571825
Energy: 1.0881197373416094
Energy: 1.1925196386351862
Energy: 1.2242732865553378
Energy: 1.1925196386347559
Energy: 1.224273286555768
Energy: 1.1925196386356165
Energy: 1.2242732865566286
Energy: 1.1925268753657774
Energy: 1.2241682346790808
Energy: 1.192526875366208
Energy: 1.2241682346795109
Energy: 1.192526875366638
Energy: 1.2241682346795109
Energy: 0.875026877592786
Energy: 1.088255770746893
Energy: 0.8750268775923556
Energy: 1.0882557707451714
Energy: 0.875026877592786
Energy: 1.0882557707451714
Energy: 1.1189674159455865
Energy: 1.0387711796018317
Energy: 1.1189674159447258
Energy: 1.0387711796014012
Energy: 1.1189674159434349
Energy: 1.0387711796014012
Energy: 0.8375124789766001
Energy: 1.1146817129792723
Energy: 0.8375124789761699
Energy: 1.114681656277655
Energy: 0.8375124789761699
Energy: 1.1146815191956523
Energy: 1.0374566353318277
Energy: 0.8789506003654864
Energy: 1.0374566325764811
Energy: 0.878950600365056
Energy: 1.0374566262378344
Energy: 0.878950600365056
Energy: 0.8620686323408971
Energy: 1.259076003870493
Energy: 0.8620686323400367
Energy: 1.2590760038528503
Energy: 0.8620686323404669
Energy: 1.259076003833056
Energy: 1.2193167170306805
Energy: 1.1956496073001726
Energy: 1.2193167170319714
Energy: 1.1956496072997422
Energy: 1.2193167170298196
Energy: 1.195649607299312
Energy: 1.038737422907225
Energy: 1.0609364815239302
Energy: 1.0387374229055037
Energy: 1.0609364815286635
Energy: 1.0387374229067945
Energy: 1.0609364815278028
Energy: 1.0372397638810782
Energy: 0.8748367069792681
Energy: 1.0372397638810782
Energy: 0.8748367069788379
Energy: 1.0372397638785356
Energy: 0.8748367069784077
Energy: 1.0983193329537309
Energy: 1.0988319252998533
Energy: 1.0983193328578114
Energy: 1.0988319253032959
Energy: 1.098319332673287
Energy: 1.0988319253037264
Energy: 0.8748593276812707
Energy: 1.0371902016324441
Energy: 0.8748593276799799
Energy: 1.0371902016302925
Energy: 0.8748593276804102
Energy: 1.0371902016298622
Energy: 1.0609970469228436
Energy: 1.0376331617489287
Energy: 1.0609970469215528
Energy: 1.037633161747638
Energy: 1.060997046918971
Energy: 1.0376331617472074
Energy: 1.1934167440025525
Energy: 1.218572883564831
Energy: 1.1934167440021222
Energy: 1.2185728831140628
Energy: 1.1934167440021222
Energy: 1.2185728820232686
Energy: 1.2502713935525962
Energy: 0.863116491238784
Energy: 1.2502713935500145
Energy: 0.8631164912400751
Energy: 1.250271393540978
Energy: 0.863116491238784
Energy: 0.8760613106694076
Energy: 0.9290071637073137
Energy: 0.8760613106694076
Energy: 0.929007163706453
Energy: 0.8760613106694076
Energy: 0.9290071637068834

minimum gb energy = 0.8105954579685214 eV
minimum distance =  2.37431002982023 Angstroms
sigma value = 51


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

Energy: 1.1386852578133808
Energy: 1.1193202857073299
Energy: 1.1386852578143778
Energy: 1.1193202857073299
Energy: 1.1386852578143778
Energy: 1.1193202857073299
Energy: 1.1737756947074685
Energy: 1.0031342548667637
Energy: 1.1737723907928947
Energy: 1.0031342548667637
Energy: 1.1737634281789955
Energy: 1.0031342548677606
Energy: 0.9880796994558843
Energy: 0.5550688329263715
Energy: 0.9880796994558843
Energy: 0.5546004610756377
Energy: 0.9880796994578783
Energy: 0.5555500544833991
Energy: 1.0781496666189905
Energy: 0.8879794437873814
Energy: 1.0781496666179933
Energy: 0.8879794437873814
Energy: 1.0781496666189905
Energy: 0.8879794437883785
Energy: 1.1151054343587197
Energy: 1.0869322916290434
Energy: 1.1151054343597167
Energy: 1.0869322916280466
Energy: 1.1151054343597167
Energy: 1.0869322916290434
Energy: 1.1433709832950574
Energy: 1.0869988220717455
Energy: 1.1433709832960544
Energy: 1.0869988220717455
Energy: 1.1433709832960544
Energy: 1.0869988220717455
Energy: 0.9631152655999224
Energy: 1.0874070645750127
Energy: 0.9631152655999224
Energy: 1.0874070645730187
Energy: 0.9631152656019165
Energy: 1.087407064572022
Energy: 0.9900698876221576
Energy: 1.0874496089440144
Energy: 0.9900698876231546
Energy: 1.0874496076364686
Energy: 0.9900698876231546
Energy: 1.0874496044215336
Energy: 1.2561604321594297
Energy: 0.8839479037362548
Energy: 1.2561604317378716
Energy: 0.8839479037362548
Energy: 1.2561604304523057
Energy: 0.8839479037362548
Energy: 0.9154664291241003
Energy: 1.2771742169484999
Energy: 0.9154664291241003
Energy: 1.2771742169484999
Energy: 0.9154664291241003
Energy: 1.2771742169494968
Energy: 1.2543993502875976
Energy: 0.8914902205845227
Energy: 1.2543993467766386
Energy: 0.8914902205835257
Energy: 1.2543993388697747
Energy: 0.8914902205835257
Energy: 1.1347409661690955
Energy: 1.1209681958265085
Energy: 1.1347409661690955
Energy: 1.1209681958255118
Energy: 1.1347409661690955
Energy: 1.1209681958215236
Energy: 1.3254356882780893
Energy: 1.0049509616488022
Energy: 1.3254356882790865
Energy: 1.0049509616497991
Energy: 1.3254356882790865
Energy: 1.0049509616497991
Energy: 1.0635377531017012
Energy: 1.0189111888455389
Energy: 1.0635377530997072
Energy: 1.0189111888455389
Energy: 1.0635377531007042
Energy: 1.0189111888455389
Energy: 1.098827524651267
Energy: 1.120462567007446
Energy: 1.098827524651267
Energy: 1.120462567007446
Energy: 1.098827524651267
Energy: 1.120462567007446
Energy: 1.1389598063849062
Energy: 1.0869008642529563
Energy: 1.1389598063849062
Energy: 1.0869008642539535
Energy: 1.1389598063839093
Energy: 1.086900864251959
Energy: 1.114478925381397
Energy: 1.2099401913835295
Energy: 1.1144789253803997
Energy: 1.2099401913835295
Energy: 1.114478925381397
Energy: 1.2099401913855237
Energy: 1.0334672214310927
Energy: 1.0885371906214267
Energy: 1.0334672214310927
Energy: 1.0885371906214267
Energy: 1.0334672214310927
Energy: 1.0885371906214267

minimum gb energy = 0.5546004610756377 eV
minimum distance =  2.30223206338262 Angstroms
sigma value = 19


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

Energy: 0.8698463259551457
Energy: 0.8493429102284519
Energy: 0.8698463259551457
Energy: 0.8493429102290431
Energy: 0.8698463259557371
Energy: 0.8493429102284519
Energy: 0.9515173222037441
Energy: 1.1320801869222492
Energy: 0.9515173222031527
Energy: 1.1320801869222492
Energy: 0.9515173222019699
Energy: 1.1320801869228407
Energy: 0.8037986620990674
Energy: 1.1298708008791092
Energy: 0.8037986620996588
Energy: 1.1298708008779264
Energy: 0.8037986620990674
Energy: 1.1298708008791092
Energy: 0.9093243977044199
Energy: 0.804024218325153
Energy: 0.9093243977044199
Energy: 0.8040242183257444
Energy: 0.9093243977038284
Energy: 0.8040242183257444
Energy: 0.8450498052272594
Energy: 0.8658715823244738
Energy: 0.8450498052266949
Energy: 0.8658715823244738
Energy: 0.8450498052272594
Energy: 0.8658715823250652
Energy: 0.845075411264309
Energy: 0.8659378247817094
Energy: 0.845075411264309
Energy: 0.8659378247817094
Energy: 0.845075411264309
Energy: 0.8659378247817094
Energy: 0.909653691135922
Energy: 0.8040253507062745
Energy: 0.909653691135922
Energy: 0.8040253507062745
Energy: 0.9096536911353306
Energy: 0.8040253507062745
Energy: 0.8037807190653713
Energy: 1.1298344939976512
Energy: 0.8037807190653713
Energy: 1.1298344939994251
Energy: 0.8037807190653713
Energy: 1.1298344939994251
Energy: 0.9504075246918617
Energy: 1.1321048404409333
Energy: 0.9504075246906789
Energy: 1.1321048404415248
Energy: 0.9504075246906789
Energy: 1.1321048404415248
Energy: 0.8698463259551457
Energy: 0.8493429102284519
Energy: 0.8698463259551457
Energy: 0.8493429102284519
Energy: 0.8698463259551457
Energy: 0.8493429102284519
Energy: 0.9515173222049269
Energy: 1.1320801869222492
Energy: 0.9515173222031527
Energy: 1.1320801869222492
Energy: 0.9515173222025611
Energy: 1.1320801869222492
Energy: 0.8037986620990674
Energy: 1.1298708008779264
Energy: 0.8037986620990674
Energy: 1.1298708008779264
Energy: 0.8037986620990674
Energy: 1.1298708008779264
Energy: 0.9093243977038284
Energy: 0.8040242183257444
Energy: 0.9093243977044199
Energy: 0.804024218326336
Energy: 0.9093243977044199
Energy: 0.8040242183257444
Energy: 0.8450498052272594
Energy: 0.8658715823244738
Energy: 0.8450498052272594
Energy: 0.8658715823244738
Energy: 0.8450498052272594
Energy: 0.8658715823244738
Energy: 0.845075411264309
Energy: 0.8659378247817094
Energy: 0.845075411264309
Energy: 0.8659378247817094
Energy: 0.845075411264309
Energy: 0.8659378247817094
Energy: 0.9096536911353306
Energy: 0.804025350706866
Energy: 0.909653691135922
Energy: 0.804025350706866
Energy: 0.909653691135922
Energy: 0.8040253507062745
Energy: 0.8037807190659627
Energy: 1.1298344939982425
Energy: 0.8037807190653713
Energy: 1.1298344939988338
Energy: 0.8037807190653713
Energy: 1.1298344939982425
Energy: 0.9504075246930445
Energy: 1.1321048404415248
Energy: 0.9504075246912704
Energy: 1.1321048404415248
Energy: 0.9504075246900875
Energy: 1.1321048404415248
Energy: 0.8698463259551457
Energy: 0.8493429102284519
Energy: 0.8698463259551457
Energy: 0.8493429102290431
Energy: 0.8698463259551457
Energy: 0.8493429102284519
Energy: 0.9515173222031527
Energy: 1.1320801869222492
Energy: 0.9515173222037441
Energy: 1.1320801869228407
Energy: 0.9515173222025611
Energy: 1.1320801869234318
Energy: 0.8037986620996588
Energy: 1.1298708008785179
Energy: 0.8037986620990674
Energy: 1.1298708008785179
Energy: 0.8037986620990674
Energy: 1.1298708008785179
Energy: 0.9093243977050114
Energy: 0.804024218326336
Energy: 0.9093243977038284
Energy: 0.8040242183257444
Energy: 0.9093243977044199
Energy: 0.804024218325153
Energy: 0.8450498052266949
Energy: 0.8658715823244738
Energy: 0.8450498052272594
Energy: 0.8658715823244738
Energy: 0.8450498052272594
Energy: 0.8658715823244738
Energy: 0.8450754112649003
Energy: 0.8659378247817094
Energy: 0.845075411264309
Energy: 0.8659378247817094
Energy: 0.8450754112649003
Energy: 0.8659378247817094
Energy: 0.9096536911353306
Energy: 0.8040253507062745
Energy: 0.9096536911353306
Energy: 0.804025350706866
Energy: 0.9096536911353306
Energy: 0.8040253507062745
Energy: 0.8037807190659627
Energy: 1.1298344939976512
Energy: 0.8037807190659627
Energy: 1.1298344939994251
Energy: 0.8037807190653713
Energy: 1.1298344939988338
Energy: 0.9504075246900875
Energy: 1.1321048404409333
Energy: 0.9504075246912704
Energy: 1.1321048404415248
Energy: 0.9504075246912704
Energy: 1.1321048404409333
Energy: 0.8698463259551457
Energy: 0.8493429102290431
Energy: 0.8698463259557371
Energy: 0.8493429102284519
Energy: 0.8698463259551457
Energy: 0.8493429102284519
Energy: 0.9515173222037441
Energy: 1.1320801869222492
Energy: 0.9515173222043355
Energy: 1.1320801869222492
Energy: 0.9515173222037441
Energy: 1.1320801869228407
Energy: 0.8037986620996588
Energy: 1.1298708008779264
Energy: 0.8037986620990674
Energy: 1.1298708008773348
Energy: 0.8037986620990674
Energy: 1.1298708008785179

minimum gb energy = 0.8037807190653713 eV
minimum distance =  2.32153179819933 Angstroms
sigma value = 27


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

Energy: 0.8478930137855668
Energy: 0.8114715202165549
Energy: 0.8478930137855668
Energy: 0.8114715202165549
Energy: 0.8478930137855668
Energy: 0.8114715202151063
Energy: 1.0027531671237668
Energy: 0.8348491095974033
Energy: 1.0027531670296383
Energy: 0.8348491095959548
Energy: 1.00275316690364
Energy: 0.8348491095959548
Energy: 0.8329682001153459
Energy: 0.9553494445258357
Energy: 0.8329682001443186
Energy: 0.9553494445258357
Energy: 0.8329682001414215
Energy: 0.9553494445258357
Energy: 1.0064097229933429
Energy: 0.7890373568473272
Energy: 1.0064097229933429
Energy: 0.7890373568473272
Energy: 1.0064097229933429
Energy: 0.7890373568473272
Energy: 1.003727353926812
Energy: 0.788949508763893
Energy: 1.003727353926812
Energy: 0.788949508763893
Energy: 1.0037273539253633
Energy: 0.788949508763893
Energy: 1.0215305501994352
Energy: 1.0772136145580338
Energy: 1.0215305502008838
Energy: 1.0772136145565854
Energy: 1.0215305502008838
Energy: 1.0772136145594826
Energy: 0.9543172689982562
Energy: 0.8379159574411106
Energy: 0.9543172689997048
Energy: 0.8379159574411106
Energy: 0.9543172689982562
Energy: 0.8379159574425592
Energy: 0.8406282392865032
Energy: 0.8139290219427918
Energy: 0.8406282392865032
Energy: 0.8139290219427918
Energy: 0.8406282392865032
Energy: 0.8139290219442404
Energy: 1.0045930495857245
Energy: 0.8324925577293976
Energy: 1.0045930495770656
Energy: 0.8324925577931045
Energy: 1.0045930495538873
Energy: 0.8324925577438838
Energy: 0.9901551173466526
Energy: 1.026523235935192
Energy: 0.9901551173466526
Energy: 1.026523235935192
Energy: 0.9901551173466526
Energy: 1.0265232359293974
Energy: 0.8123219770550526
Energy: 0.790429373209761
Energy: 0.812321977053604
Energy: 0.790429373209761
Energy: 0.8123219770550526
Energy: 0.790429373209761
Energy: 1.1201000023488867
Energy: 0.9839019105343637
Energy: 1.1201000023474381
Energy: 0.9839019105314664
Energy: 1.1201000023474381
Energy: 0.9839019105213258

minimum gb energy = 0.788949508763893 eV
minimum distance =  2.29673115634437 Angstroms
sigma value = 9


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

Energy: 0.9448407865926653
Energy: 0.8285701113786227
Energy: 0.9448407865934793
Energy: 0.8285701113786227
Energy: 0.9448407865930724
Energy: 0.8285701113794367
Energy: 0.8206503294592027
Energy: 0.7623882301703276
Energy: 0.8206503294575745
Energy: 0.7623882301695136
Energy: 0.8206503294287124
Energy: 0.7623882301707346
Energy: 0.7110150806784888
Energy: 0.8252605197327162
Energy: 0.71101508067971
Energy: 0.8252605197355654
Energy: 0.7110150806788958
Energy: 0.8252605197384145
Energy: 0.7629876907537662
Energy: 0.728606223816936
Energy: 0.7629876907545802
Energy: 0.7286062238177501
Energy: 0.7629876907537662
Energy: 0.728606223816936
Energy: 0.8171488193463288
Energy: 0.7812011766692114
Energy: 0.8171488193463288
Energy: 0.7812011766679904
Energy: 0.8171488193463288
Energy: 0.7812011766692114
Energy: 0.8499353565456819
Energy: 0.8357712923792349
Energy: 0.8499353565009452
Energy: 0.8357712681028379
Energy: 0.8499353564224251
Energy: 0.835771215080838
Energy: 0.8177867019448396
Energy: 0.837181813858803
Energy: 0.8177867019200106
Energy: 0.837181813859617
Energy: 0.8177867019049505
Energy: 0.837181813859617
Energy: 0.7101827854100511
Energy: 0.8191308935186635
Energy: 0.710182785409644
Energy: 0.8191308935190705
Energy: 0.710182785409644
Energy: 0.8191308935198846
Energy: 0.7863797513524899
Energy: 0.7814604874402996
Energy: 0.7863796676787582
Energy: 0.7814604874394856
Energy: 0.7863795276036656
Energy: 0.7814604874402996
Energy: 0.7841827832286665
Energy: 0.8545347748083839
Energy: 0.7841827831367144
Energy: 0.8545347747331199
Energy: 0.7841827827335311
Energy: 0.8545347745878836
Energy: 0.7601455603326579
Energy: 0.7372001911741431
Energy: 0.7601455603351001
Energy: 0.7372001911741431
Energy: 0.7601455603387633
Energy: 0.7372001911741431
Energy: 0.7517396604277347
Energy: 0.8585930844888174
Energy: 0.7517396604277347
Energy: 0.8585930830929214
Energy: 0.7517396604281418
Energy: 0.8585930786423646
Energy: 0.9446195278299603
Energy: 0.8114723033251858
Energy: 0.6383050918669452
Energy: 0.8114723033288491
Energy: 0.638250188160349
Energy: 0.8114723032979145
Energy: 0.9291801615478242
Energy: 0.8078356149772303
Energy: 0.9291801614660479
Energy: 0.8078356149308288
Energy: 0.9291801612435125
Energy: 0.8078356149825217
Energy: 0.7348301056046552
Energy: 0.8018339752460489
Energy: 0.7348301056046552
Energy: 0.8018339752464559
Energy: 0.7348301056034342
Energy: 0.801833975246863
Energy: 0.8770172028874332
Energy: 0.8658067461242702
Energy: 0.8769530657066401
Energy: 0.8658067461173508
Energy: 0.8768777358050203
Energy: 0.8658067460941501
Energy: 0.9686537702961987
Energy: 0.7292221368033525
Energy: 0.9686537702957917
Energy: 0.7292221368021313
Energy: 0.9686537702961987
Energy: 0.7292221368009102
Energy: 0.7508695075439209
Energy: 0.743628308862563
Energy: 0.750869507545142
Energy: 0.74362830886297
Energy: 0.750869507544735
Energy: 0.743628308862563
Energy: 0.7122439121721919
Energy: 1.0331023731308893
Energy: 0.7122439121717848
Energy: 1.0331023731300752
Energy: 0.7122439121717848
Energy: 1.0331023731276332
Energy: 0.906056717092029
Energy: 0.7170895769137474
Energy: 0.906056717093657
Energy: 0.7170895769141544
Energy: 0.9060567170908078
Energy: 0.7170895769141544
Energy: 0.7122748670757777
Energy: 1.0326885903065621
Energy: 0.7122748670761847
Energy: 1.0326885903085972
Energy: 0.7122748670761847
Energy: 1.0326885903114467
Energy: 0.7509662964704313
Energy: 0.7437663328458969
Energy: 0.7509662964712454
Energy: 0.7437663328458969
Energy: 0.7509662964708383
Energy: 0.7437663328458969
Energy: 0.9681917053665451
Energy: 0.7291960746617118
Energy: 0.9681917053665451
Energy: 0.7291960746608976
Energy: 0.9681917053677661
Energy: 0.7291960746629328
Energy: 0.8771079890485828
Energy: 0.8194955767774338
Energy: 0.8770881414296454
Energy: 0.8194955767623736
Energy: 0.8770475935666426
Energy: 0.8194955767346955
Energy: 0.734703280019757
Energy: 0.8019399699731263
Energy: 0.7347032800189429
Energy: 0.8019399699727193
Energy: 0.7347032800169078
Energy: 0.8019399699727193
Energy: 0.9292585198862896
Energy: 0.8077371477105029
Energy: 0.9292585198724507
Energy: 0.8077371477080607
Energy: 0.9292585198496568
Energy: 0.8077371477105029
Energy: 0.9450374291120387
Energy: 0.8113583421420363
Energy: 0.9450176627476597
Energy: 0.8113583421338958
Energy: 0.6388551487026485
Energy: 0.8113583421029613
Energy: 0.7518697988942904
Energy: 0.7306361220518344
Energy: 0.7518697988942904
Energy: 0.7306361220583469
Energy: 0.7518697988938834
Energy: 0.7306361219912239
Energy: 0.7601878803784412
Energy: 0.7372068639528199
Energy: 0.7601878803788483
Energy: 0.7372068639524129
Energy: 0.7601878803808835
Energy: 0.7372068639528199
Energy: 0.7842019123173501
Energy: -1.6963821012490365
Energy: 0.7842019118930013
Energy: 0.6234768694487726
Energy: 0.7842019109096502
Energy: 0.6234926401816435
Energy: 0.786478332170063
Energy: 0.7818369683584165
Energy: 0.7864783187427586
Energy: 0.7818369683596377
Energy: 0.7864782023297413
Energy: 0.7818369683588235
Energy: 0.7102047662325339
Energy: 0.8192878902639665
Energy: 0.7102047662329409
Energy: 0.8192878902631523
Energy: 0.7102047662325339
Energy: 0.8192878902647805
Energy: 0.817990148447544
Energy: 0.8373307656066737
Energy: 0.817990148447951
Energy: 0.8373307656054527
Energy: 0.8179901484455088
Energy: 0.8373307656054527
Energy: 0.8501359889999718
Energy: 0.9029238913732768
Energy: 0.8501359889995648
Energy: 0.90291953678828
Energy: 0.8501359889804344
Energy: 0.9029021247935818
Energy: 0.8170687146137128
Energy: 0.7812613111096167
Energy: 0.8170687146141198
Energy: 0.7812613111096167
Energy: 0.8170687146141198
Energy: 0.7812613111092097
Energy: 0.7628006768252393
Energy: 0.7286060774666013
Energy: 0.7628006768256463
Energy: 0.7286060774682294
Energy: 0.7628006768256463
Energy: 0.7286060774674153
Energy: 0.7108880323570166
Energy: 0.8254177003550334
Energy: 0.7108880323578306
Energy: 0.8254177003538122
Energy: 0.7108880323574236
Energy: 0.8254177003534052
Energy: 0.8191335726561794
Energy: 0.7620459388424038
Energy: 0.8191335726155133
Energy: 0.762045857157354
Energy: 0.8191335726142922
Energy: 0.7620456995868621
Energy: 0.9448407865934793
Energy: 0.8285701113778086
Energy: 0.9448407865938865
Energy: 0.8285701113782156
Energy: 0.9448407865942935
Energy: 0.8285701113798437
Energy: 0.8206503294579817
Energy: 0.7218917287254544
Energy: 0.8206503294539114
Energy: 0.7218917287254544
Energy: 0.8206503294274912
Energy: 0.7218917287258614
Energy: 0.7110150806780817
Energy: 0.8252605197331232
Energy: 0.7110150806780817
Energy: 0.8252605197351583
Energy: 0.7110150806776747
Energy: 0.8252605197363796
Energy: 0.7629876907545802
Energy: 0.7286062238307751
Energy: 0.7629876907541732
Energy: 0.7286062238295541
Energy: 0.7629876907545802
Energy: 0.7286062238299611
Energy: 0.817148819347143
Energy: 0.7812011766688044
Energy: 0.817148819346736
Energy: 0.7812011766679904
Energy: 0.817148819346736
Energy: 0.7812011766692114

minimum gb energy = -1.6963821012490365 eV
minimum distance =  2.35342177133622 Angstroms
sigma value = 57


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

Energy: 0.7856144435225113
Energy: 0.6078678557213735
Energy: 0.3894884930904807
Energy: 0.6078678557204469
Energy: 0.7856144435215848
Energy: 0.6078678557204469
Energy: 0.02292634244662523
Energy: 0.6332660650929169
Energy: 0.022926338916172614
Energy: 0.5539476389384175
Energy: 0.022926336441524416
Energy: 0.6332660650929169
Energy: 0.488965587214128
Energy: 0.4223340402795324
Energy: 0.4889655872178341
Energy: 0.13858284230179327
Energy: 0.48896558721134836
Energy: 0.4223340402693825
Energy: 0.5989781556877202
Energy: 0.4942027847397802
Energy: 0.5989781556877202
Energy: 0.38944169440970133
Energy: 0.5989781556877202
Energy: 0.4942027847407068
Energy: 0.3499667434553945
Energy: -0.16661010579275978
Energy: 0.3499667434572476
Energy: -0.1666101085406141
Energy: 0.3499667434572476
Energy: -0.16661008657631085
Energy: 0.3331309633464077
Energy: 0.4783145343091711
Energy: 0.33313096334455455
Energy: 0.47831453412579833
Energy: 0.3331309633454811
Energy: 0.47831453406001323
Energy: 0.33344504359350474
Energy: 0.329685154580322
Energy: 0.33344504359443133
Energy: 0.329685154580322
Energy: 0.33344504359443133
Energy: 0.329685154580322
Energy: -0.10070654197608507
Energy: 0.3538708364763436
Energy: -0.10070654107219285
Energy: 0.35387083647541706
Energy: -0.10070653951718825
Energy: 0.35387083647541706
Energy: 0.6009486307270256
Energy: 0.38942789561205277
Energy: 0.600948630726099
Energy: 0.4935208093218444
Energy: 0.6009486307270256
Energy: 0.38942789561297936
Energy: 0.32921601746871293
Energy: 0.5156963495304668
Energy: 0.32921601746871293
Energy: 0.5156963495295404
Energy: 0.32921601746871293
Energy: 0.5156963495119359
Energy: 0.3544021181865922
Energy: 0.5457876417775525
Energy: 0.35440211818566564
Energy: 0.545787641776626
Energy: 0.3544021181865922
Energy: 0.545787641778479
Energy: 0.7856144435225113
Energy: 0.6078678557204469
Energy: 0.3894884930904807
Energy: 0.6078678557213735
Energy: 0.7856144435215848
Energy: 0.6078678557204469
Energy: 0.022926342082659305
Energy: 0.6332660650938434
Energy: 0.02292634232621577
Energy: 0.5539476397200892
Energy: 0.022926338421605172
Energy: 0.6332660650929169
Energy: 0.48896558721134836
Energy: 0.4223340415094441
Energy: 0.48896558721690764
Energy: 0.13858284373360877
Energy: 0.48896558720486244
Energy: 0.4223340409815629
Energy: 0.5989781556867936
Energy: 0.4942027847397802
Energy: 0.5989781556867936
Energy: 0.38944169440970133
Energy: 0.5989781556867936
Energy: 0.4942027847397802
Energy: 0.3499667434553945
Energy: -0.16661010256886907
Energy: 0.349966743456321
Energy: -0.1666101180048652
Energy: 0.349966743456321
Energy: -0.16661008852025613
Energy: 0.3331309633473342
Energy: 0.4783145342332361
Energy: 0.3331309633454811
Energy: 0.47831453419339437
Energy: 0.3331309633464077
Energy: 0.4783145342035865
Energy: 0.33344504359443133
Energy: 0.32968515458124853
Energy: 0.33344504359535787
Energy: 0.329685154580322
Energy: 0.33344504359535787
Energy: 0.32968515458124853
Energy: -0.10070653925695387
Energy: 0.3538708364744905
Energy: -0.10070653950143689
Energy: 0.3538708364763436
Energy: -0.10070653977375853
Energy: 0.3538708364744905

minimum gb energy = -0.1666101180048652 eV
minimum distance =  2.44137237035192 Angstroms
sigma value = 11


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

Energy: 0.5867864442731592
Energy: 0.7844393570893008
Energy: 0.5867864442738379
Energy: 0.7844393570893008
Energy: 0.5867864442738379
Energy: 0.7844393570893008
Energy: 0.7767352813669355
Energy: 0.5462714965044423
Energy: 0.7767352813669355
Energy: 0.5461986963097021
Energy: 0.7767352813655781
Energy: 0.3267553326545497
Energy: 0.8199089505737948
Energy: 1.1837844812428187
Energy: 0.8199089505724375
Energy: 1.183784481244176
Energy: 0.8199089505690439
Energy: 1.1837844812407825
Energy: 0.810687211687566
Energy: 0.0931206106636574
Energy: 0.8106872116848511
Energy: 0.09542183798577893
Energy: 0.8106872116821363
Energy: 0.09645182701141222
Energy: 0.7590771253115558
Energy: 0.5283972104246699
Energy: 0.7590771253115558
Energy: 0.5283972104246699
Energy: 0.7590771253115558
Energy: 0.5283972104253486
Energy: 0.6856262583221332
Energy: 0.3791288402726412
Energy: 0.685626258320097
Energy: 0.3800622287744104
Energy: 0.6856262583187396
Energy: 0.38070606077537816
Energy: 0.11256249492807349
Energy: 0.9986290676528065
Energy: 0.12125843369491339
Energy: 0.9986290676453407
Energy: 0.12155286264155574
Energy: 0.9986290676507704
Energy: 0.840097668007354
Energy: 0.04681057769306546
Energy: 0.8400976680066752
Energy: -0.35328062019376116
Energy: 0.840097668007354
Energy: -0.35385094858839533
Energy: 0.8104194921154879
Energy: -0.30400361980290935
Energy: 0.8104194921182027
Energy: -0.38285555750116673
Energy: 0.8104194921215964
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Energy: 0.7913586549392612
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Energy: 0.6637486308885742
Energy: 0.3370150057753985
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Energy: 0.35039170952462323
Energy: 0.6637486308872167
Energy: 0.776655043261145
Energy: 0.6419445362002622
Energy: 0.7766550432631812
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Energy: 0.7766550432591088
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Energy: 0.0867114818612292
Energy: 1.0261443847659828
Energy: 0.08692658940281398
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Energy: 1.208992900724059
Energy: 0.8680800126792988
Energy: 1.2089929007213442
Energy: 0.8680800126786201
Energy: 1.2089929007227016
Energy: 0.8680800126772628

minimum gb energy = -0.9049567494652823 eV
minimum distance =  2.35309879355304 Angstroms
sigma value = 41


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

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Energy: 0.5962905971874644
Energy: 0.6661459160661751
Energy: 0.5962905971874644
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Energy: 0.847524202281123
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Energy: 0.847524202281123
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Energy: 0.9093013863203268
Energy: 0.4751283508775889
Energy: 0.9093013863197917
Energy: 0.47512665895054584
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Energy: 0.9873904077026742
Energy: 0.40289670414786527
Energy: 0.9873904077032092
Energy: 0.40289670399598976
Energy: 0.987390407703744
Energy: 0.4028967040884865
Energy: -0.2439387814444075
Energy: -0.18815216922469422
Energy: -0.24259775561361052
Energy: 0.2902031056440055
Energy: -0.26182739112801706
Energy: 0.29329018293577686
Energy: 0.5808352591380306
Energy: 0.6151340745129534
Energy: 0.5808352591369608
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Energy: 0.5808352591385657
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Energy: 0.40069664206123834
Energy: 0.2311863673132221
Energy: 0.4006966412083914
Energy: 0.23114577051626514
Energy: 0.4006966394165713
Energy: 0.2363711607150686

minimum gb energy = -0.7405837197678372 eV
minimum distance =  2.31513934038868 Angstroms
sigma value = 33


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

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Energy: 0.5899060503030897
Energy: 0.6720081121675192
Energy: 0.5899060503034993
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Energy: -0.5057864050338341
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Energy: -0.6111906536019427
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Energy: -0.6599661276638026
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Energy: -0.6587214578788736
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Energy: -0.6639287560086122
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Energy: -0.8639376434825742
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Energy: 0.8740728685526129
Energy: 0.01671376742517899
Energy: 0.8740728685526129
Energy: 0.016257526135887365
Energy: 0.8740728685526129

minimum gb energy = -1.6218287641672475 eV
minimum distance =  2.3811825053722 Angstroms
sigma value = 67


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

Energy: 0.7177466959303032
Energy: 0.5995821578694085
Energy: 0.7177466959305598
Energy: 0.5995821578694085
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Energy: 0.5985147416296667
Energy: 0.71200932696339
Energy: 0.18689922283604382
Energy: -0.1594386375250088
Energy: -0.3205621507836833
Energy: -0.15946056025710978
Energy: -0.32378942432132
Energy: -0.18764712436570072
Energy: 0.7177466959303032
Energy: 0.5995821578694085
Energy: 0.7177466959308165
Energy: 0.5995821578694085
Energy: 0.7177466959310731
Energy: 0.5995821578694085
Energy: 0.18863613264671694
Energy: -0.15834618799909095
Energy: -0.32159119635936695
Energy: -0.15838601591558213
Energy: -0.32016444808449107
Energy: -0.18540514566156152
Energy: 0.5985147425501113
Energy: 0.7120093269631333
Energy: 0.5985147416221394
Energy: 0.71200932696339
Energy: 0.5985147420886345
Energy: 0.7120093269636181

minimum gb energy = -0.3239931703316313 eV
minimum distance =  2.39016511510573 Angstroms
sigma value = 3


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

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Energy: -0.48307480846983875
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Energy: 0.7196572893473098
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Energy: -2.3698096205874215
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Energy: -0.32013181522227363
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Energy: -0.9261812131936463
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Energy: -0.9617369332201801
Energy: -0.9761151637225087
Energy: -2.1716493186607124
Energy: -2.0651630792053983
Energy: -2.093283333239864
Energy: -2.24682233572802
Energy: -2.242648147777893
Energy: -1.807398365566156
Energy: 0.6631108679656987
Energy: -2.2826995292343737
Energy: 0.6631108679656987
Energy: -2.29888336620836
Energy: 0.6631108679656987
Energy: -2.3384762164893704
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Energy: -2.320456483617801
Energy: -1.268114429286698
Energy: -2.321432442488081
Energy: -1.7612285123604652
Energy: -2.383717014974939

minimum gb energy = -2.5720095144590864 eV
minimum distance =  2.29085375925154 Angstroms
sigma value = 81


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

Energy: 0.7328196968461199
Energy: 0.7098002389139813
Energy: 0.732819696844714
Energy: 0.7098002389139813
Energy: 0.7328196968451828
Energy: 0.7098002389139813
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Energy: -0.6608267199654031
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Energy: -0.510351107700715
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Energy: -1.3538141374248616
Energy: -1.6254124738366087
Energy: -0.8624020533107215
Energy: -1.4372860383645791
Energy: -1.4393179262628013
Energy: -1.436019678992246
Energy: 0.342935386730652
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Energy: -1.5361801424101997
Energy: 0.5857203291812019
Energy: -1.5361586199983273
Energy: 0.5857203291816704
Energy: -1.631249328807046

minimum gb energy = -1.6809361947403598 eV
minimum distance =  2.37024000078638 Angstroms
sigma value = 43


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

Energy: 0.9148505971813279
Energy: 0.015739068328479856
Energy: 0.9148505971819036
Energy: 0.021116345867185287
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Energy: -0.8440867789398582
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Energy: -0.9128798117684453
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Energy: -0.34266014957659424
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Energy: -0.1778544052515975
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Energy: 0.0995098056625268
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Energy: 0.8513254601201831
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Energy: -0.4465162424268357
Energy: -0.03538188812241101
Energy: -0.5983956150266351
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Energy: -0.40610635328898004
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Energy: -0.13531847198201663
Energy: -0.5266036429305995
Energy: -0.13136208067635471
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Energy: 0.758502579805766
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Energy: -0.8164720892976284
Energy: 0.0004919693473208041
Energy: -1.1274817503680876
Energy: 0.02193238015537969
Energy: -0.9339335687530345

minimum gb energy = -1.215906192043441 eV
minimum distance =  2.35853544472266 Angstroms
sigma value = 57


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

Energy: -0.0009559172097810169
Energy: -0.006382943732557687
Energy: 0.016613795031565144
Energy: -0.1035261216788061
Energy: 0.016339152837438895
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Energy: -0.36244042166445045
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Energy: 0.4359397487815635
Energy: 0.029152674500032942
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Energy: 0.02274158015712816
Energy: 0.4359386310051691
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Energy: 0.2718660042159213
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Energy: -0.3579975784985053
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Energy: 0.05083706510646351
Energy: 0.7173363353017239
Energy: 0.051295587330602244
Energy: 0.7173363353017239
Energy: 0.051444624197058655
Energy: -1.2605150134254663
Energy: -0.3605716697777108
Energy: -1.62080533176047
Energy: -0.36204393335446783
Energy: -1.2875215984235668
Energy: -0.3599481359405754
Energy: 0.09715584968324181
Energy: -0.02253769475930767
Energy: 0.09766411947288668
Energy: -0.0227293449228261
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Energy: -0.11338970454358302
Energy: 0.4798688794977851
Energy: -0.28959052795092205
Energy: 0.47986887966388925
Energy: -0.2865781656824878
Energy: 0.47986888003119493
Energy: -0.2771269010958651
Energy: 0.707310819793376
Energy: 0.6681034536561663
Energy: 0.7073108197948668
Energy: 0.6681034536569116
Energy: 0.7073108197903948
Energy: 0.6681034536576569
Energy: -0.30193499083851627
Energy: -0.057068152763119384
Energy: -0.298848814241463
Energy: -0.04526639934977737
Energy: -0.29970340587734823
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Energy: -0.3527958057256885
Energy: -0.37467208458352735
Energy: -0.34987844621178193
Energy: -0.37552085584492817
Energy: -0.3494079282498461
Energy: -0.37816248552303866

minimum gb energy = -1.664698474034781 eV
minimum distance =  2.34555847499023 Angstroms
sigma value = 17


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

Energy: 0.8106223636996854
Energy: 0.7161350588787481
Energy: 0.8106223636996854
Energy: 0.7161350588798021
Energy: 0.8106223636996854
Energy: 0.7161350588798021
Energy: 0.5470332229505191
Energy: 0.5730043890545644
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Energy: 0.7372873077355849
Energy: 0.8422187637475793
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Energy: 0.8894946949942896
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Energy: 0.7502206516946981
Energy: 0.7898173070061343
Energy: 0.7502206516957521
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Energy: 0.5667773031549347
Energy: 0.688149134954396
Energy: 0.5667773031549347
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Energy: 0.5667773031549347
Energy: 0.5046295166767322
Energy: 0.5042314177483003
Energy: 0.5046295166788403
Energy: 0.5054543960493604
Energy: 0.5046295166788403
Energy: 0.505500502645994
Energy: -1.22096718081922
Energy: 0.5751072684906932
Energy: -1.1534459135122497
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Energy: -1.0824349833930182
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Energy: 0.6670537784486847
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Energy: 0.5786154477711882
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Energy: 0.5786154477680262
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Energy: -1.1222610786489169
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Energy: 0.5784137899046796
Energy: -1.129284830433233
Energy: 0.5784137899046796
Energy: 0.5080323504202211
Energy: 0.7491324793492449
Energy: 0.5080323504212753
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Energy: 0.5080323504212753
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Energy: 0.7204787992555064
Energy: -1.0672369816110232
Energy: 0.7204787992565604
Energy: -1.065143797290436
Energy: 0.7204787992565604
Energy: -0.9657126028720079
Energy: 0.509004860494471
Energy: 0.6764046530518908
Energy: -1.202268719859142
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Energy: -0.8756331397826053
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Energy: -0.8401332604278265
Energy: 0.7506524241444188
Energy: -0.7756582126112463
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Energy: -0.8403262132347874
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Energy: 0.7194389704041773
Energy: 0.046336256815603695
Energy: 0.7194389704041773
Energy: 0.045773802290806
Energy: 0.7194389704041773
Energy: 0.12091770848981118

minimum gb energy = -1.22096718081922 eV
minimum distance =  2.42348282798658 Angstroms
sigma value = 17


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

Energy: 0.7581354378461026
Energy: 0.6378963442080611
Energy: 0.7581354378473236
Energy: 0.6378963442080611
Energy: 0.7581354378477306
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Energy: 0.6301339967261661
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Energy: 0.6301339967253521
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Energy: 0.6046928258172717
Energy: 0.6288365322291726
Energy: 0.6046928258144225
Energy: 0.5861614399996931
Energy: 0.7301591207218485
Energy: 0.586161439999286
Energy: 0.7301591207210344
Energy: 0.5861614399984719
Energy: 0.7301591207210344
Energy: 0.6776021803506056
Energy: 0.711793780258594
Energy: 0.6776021803119747
Energy: 0.7117937802581868
Energy: 0.6776021801976357
Energy: 0.711793780259001
Energy: 0.6406452559000325
Energy: 0.6286214933928475
Energy: 0.6406452559008466
Energy: 0.6286214933895912
Energy: 0.6406452559028818
Energy: 0.6286214933944756
Energy: 0.7581354378440673
Energy: 0.6378963442080611
Energy: 0.7581354378432533
Energy: 0.6378963442076541
Energy: 0.7581354378440673
Energy: 0.6378963442076541
Energy: 0.640895216947459
Energy: 0.6194089219459801
Energy: 0.640895216947866
Energy: 0.6194089219463872
Energy: 0.6408952169454238
Energy: 0.6194089219463872
Energy: 0.677840076996452
Energy: 0.7115616287068319
Energy: 0.6778400769801707
Energy: 0.7115616287072388
Energy: 0.6778400769114195
Energy: 0.7115616287072388
Energy: 0.5856437837489368
Energy: 0.6720177467516956
Energy: 0.5856437837493438
Energy: 0.67201772446683
Energy: 0.5856437837497508
Energy: 0.6720176551223844
Energy: 0.6301339967277944
Energy: 0.6045571954882673
Energy: 0.6301339967302365
Energy: 0.6045571954882673
Energy: 0.6301339967261661
Energy: 0.6045571954882673

minimum gb energy = 0.3469696488532024 eV
minimum distance =  2.36725175053376 Angstroms
sigma value = 57


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

Energy: 0.6005285519375121
Energy: 0.5548888639486467
Energy: 0.6005285519368494
Energy: 0.5548888639499722
Energy: 0.6005285519368494
Energy: 0.5548888639499722
Energy: 0.6132040680376011
Energy: 0.6006222245766311
Energy: 0.6132040680342874
Energy: 0.6006222245766311
Energy: 0.6132040680342874
Energy: 0.6006222245766311
Energy: 0.648997240089767
Energy: 0.6465703999766679
Energy: 0.6489972400910925
Energy: 0.6465703999786561
Energy: 0.648997240092418
Energy: 0.6465703999773307
Energy: 0.5792655103665448
Energy: 0.6896561535164816
Energy: 0.5792655103678704
Energy: 0.6896561535164816
Energy: 0.5792655103691959
Energy: 0.6896561535164816
Energy: 0.6039206387505175
Energy: 0.5756418937259369
Energy: 0.6039206387293097
Energy: 0.5756418937252741
Energy: 0.6039206387511802
Energy: 0.5756418937252741
Energy: 0.6291321672250868
Energy: 0.5974031375590962
Energy: 0.6291321672244241
Energy: 0.5974031375590962
Energy: 0.6291321672237613
Energy: 0.5974031375590962
Energy: 0.5944294656152684
Energy: 0.667879986100834
Energy: 0.5944294656146057
Energy: 0.667879986100834
Energy: 0.5944294656146057
Energy: 0.6678799861021596
Energy: 0.49273474315687216
Energy: 0.5695109370918012
Energy: 0.4934489036938163
Energy: 0.5708000738720554
Energy: 0.4932256451965407
Energy: 0.5720372384416434
Energy: 0.6395085505490301
Energy: 0.5982489411538986
Energy: 0.6395085505490301
Energy: 0.5982489411538986
Energy: 0.6395085505490301
Energy: 0.5982489411532359
Energy: 0.6100704418970134
Energy: 0.643990138011706
Energy: 0.6100704418956878
Energy: 0.6439901380110433
Energy: 0.6100704418970134
Energy: 0.643990138011706
Energy: 0.5501971798555385
Energy: 0.5290751632626512
Energy: 0.5501971798516223
Energy: 0.528066375820441
Energy: 0.5501971798516223
Energy: 0.5280613790666773
Energy: 0.6576780776136336
Energy: 0.5814663680724748
Energy: 0.6576780776136336
Energy: 0.5814663680698238
Energy: 0.6576780776136336
Energy: 0.5814663680724748
Energy: 0.6095321778546023
Energy: 0.644340347257622
Energy: 0.6095321778539396
Energy: 0.6443403472589475
Energy: 0.6095321778546023
Energy: 0.6443403472596103
Energy: 0.5778552928331553
Energy: 0.6374403366584535
Energy: 0.5778552928344808
Energy: 0.6374403366591161
Energy: 0.5778552928318298
Energy: 0.6374403366584535
Energy: 0.7011927610341882
Energy: 0.6109291388765076
Energy: 0.701192761034851
Energy: 0.6109291388771705
Energy: 0.7011927610335253
Energy: 0.6109291388758449
Energy: 0.6075368716420454
Energy: 0.6101814853444153
Energy: 0.6075368716440336
Energy: 0.6101814853649604
Energy: 0.6075368716420454
Energy: 0.6101814853676114
Energy: 0.6381088002011369
Energy: 0.6114545391683736
Energy: 0.6381088002004742
Energy: 0.6114545391902442
Energy: 0.6381088002017997
Energy: 0.6114545391670482
Energy: 0.5875914139394738
Energy: 0.6102466410894587
Energy: 0.5875914139394738
Energy: 0.6102466410881332
Energy: 0.5875914139374855
Energy: 0.6102466410894587
Energy: 0.5866010707551079
Energy: 0.6378553377244348
Energy: 0.5866010707544453
Energy: 0.6378553377231093
Energy: 0.5866010707544453
Energy: 0.6378553377237721
Energy: 0.5906162366318065
Energy: 0.6842927106049227
Energy: 0.5906162366324693
Energy: 0.6842927106055855
Energy: 0.5906162366318065
Energy: 0.6842927106055855
Energy: 0.6051468468551482
Energy: 0.6263464314128355
Energy: 0.6051468468491834
Energy: 0.6263464314346459
Energy: 0.6051468468524972
Energy: 0.6263464313803611
Energy: 0.5783292837406423
Energy: 0.7462642167539014
Energy: 0.5783292837426306
Energy: 0.7462642167532387
Energy: 0.5783292837472698
Energy: 0.746264216752576
Energy: 0.6279894506513785
Energy: 0.661143177509442
Energy: 0.627989450652704
Energy: 0.661143177509442
Energy: 0.6279894506533668
Energy: 0.661143177509442
Energy: 0.6596163375072246
Energy: 0.6131343561958097
Energy: 0.6596163375039109
Energy: 0.6131343562150293
Energy: 0.6596163375025854
Energy: 0.6131343562329234
Energy: 0.662333304731353
Energy: 0.6252320832974914
Energy: 0.662333304728702
Energy: 0.6252320832974914
Energy: 0.6623333047518981
Energy: 0.6252320832961659
Energy: 0.6101751064854644
Energy: 0.660312738654576
Energy: 0.6101751064854644
Energy: 0.660312738654576
Energy: 0.6101751064861272
Energy: 0.660312738654576
Energy: 0.5736072620825765
Energy: 0.6513619235714244
Energy: 0.5736072620812511
Energy: 0.6513619236124544
Energy: 0.5736072620825765
Energy: 0.6513619235806427

minimum gb energy = 0.49273474315687216 eV
minimum distance =  2.34436280235621 Angstroms
sigma value = 43


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

Energy: 0.5701605980604569
Energy: 0.5243127920118799
Energy: 0.5701605980498337
Energy: 0.5243127920118799
Energy: 0.5701605980561111
Energy: 0.5243127920113969
Energy: 0.5921692080563977
Energy: 0.5845049938850855
Energy: 0.5921692080568806
Energy: 0.5845049938850855
Energy: 0.5921692080563977
Energy: 0.5845049938850855
Energy: 0.5407994600568133
Energy: 0.5835635002761458
Energy: 0.5407994600466729
Energy: 0.5835635002761458
Energy: 0.5407994600056721
Energy: 0.583563500275663
Energy: 0.6204463453985085
Energy: 0.5734273511665829
Energy: 0.6204463453994743
Energy: 0.5734273511670658
Energy: 0.6204463453989915
Energy: 0.5734273511670658
Energy: 0.5926640281697323
Energy: 0.49031082151204636
Energy: 0.5926640281721467
Energy: 0.4903108215086662
Energy: 0.5926640281702152
Energy: 0.4903108215086662
Energy: 0.5217887163685675
Energy: 0.5193284812237311
Energy: 0.5217887163690504
Energy: 0.5193284812242139
Energy: 0.5217887163695333
Energy: 0.5193284812227654
Energy: 0.4994297136294096
Energy: 0.5637281272156898
Energy: 0.49942971363085814
Energy: 0.5637281272152069
Energy: 0.4994297136303753
Energy: 0.5637281272142411
Energy: 0.5928850920236639
Energy: 0.4680754096264935
Energy: 0.5928850920246297
Energy: 0.46807540962504485
Energy: 0.5928850920241469
Energy: 0.46807540962311334
Energy: 0.506453861924229
Energy: 0.5111195145785017
Energy: 0.5064538619227804
Energy: 0.5111195145775359
Energy: 0.5064538619218146
Energy: 0.5111195145780189
Energy: 0.5989920047579783
Energy: 0.5379169996456278
Energy: 0.5989920047541153
Energy: 0.5379169996456278
Energy: 0.5989920047574954
Energy: 0.5379169996465936
Energy: 0.6607775620905397
Energy: 0.4840189390592363
Energy: 0.6607775620919883
Energy: 0.48401893958434483
Energy: 0.6607775620905397
Energy: 0.48401892919262135
Energy: 0.5136227888546948
Energy: 0.5122871527272362
Energy: 0.5136227888556606
Energy: 0.5122871527253046
Energy: 0.5136227888556606
Energy: 0.5122871527257875
Energy: 0.5992154674309326
Energy: 0.5123443850567665
Energy: 0.5992154674309326
Energy: 0.5123443850558007
Energy: 0.5992154674299668
Energy: 0.5123443850572494
Energy: 0.6516841640604067
Energy: 0.49077320627343307
Energy: 0.651684164058958
Energy: 0.490772593811617
Energy: 0.6516841640604067
Energy: 0.49077158441352464
Energy: 0.5299477911524635
Energy: 0.5134151936609058
Energy: 0.5299477911529464
Energy: 0.5134151936647688
Energy: 0.5299477911524635
Energy: 0.5134151936613887
Energy: 0.5447069875532239
Energy: 0.5216777901229885
Energy: 0.5447069875522582
Energy: 0.5216777901234715
Energy: 0.5447069875527409
Energy: 0.5216777901229885
Energy: 0.49958457007933427
Energy: 0.44975280964917624
Energy: 0.49958457008126583
Energy: 0.4500197249336677
Energy: 0.49958457008271445
Energy: 0.4498029723032194
Energy: 0.5457489579795182
Energy: 0.4900176235002451
Energy: 0.5457489579790352
Energy: 0.4900176235002451
Energy: 0.5457489579804838
Energy: 0.49001762350217665
Energy: 0.5207617032412061
Energy: 0.5424677778744349
Energy: 0.5207617032402403
Energy: 0.5424677778744349
Energy: 0.5207617032407232
Energy: 0.5424677778734691
Energy: 0.5233967590375249
Energy: 0.5087681781207881
Energy: 0.5233967590380079
Energy: 0.5087681781193396
Energy: 0.5233967590375249
Energy: 0.5087681781198224
Energy: 0.5874004384246831
Energy: 0.5415245211789554
Energy: 0.5874004384261319
Energy: 0.5415245211784725
Energy: 0.5874004384251661
Energy: 0.5415245211799212
Energy: 0.5911025319517421
Energy: 0.5888220767787689
Energy: 0.5911025319498107
Energy: 0.5888220767787689
Energy: 0.5911025319507764
Energy: 0.5888220767782859
Energy: 0.5572859509150132
Energy: 0.5842545546166502
Energy: 0.5572859509159789
Energy: 0.5842545546161674
Energy: 0.5572859509150132
Energy: 0.5842545546166502
Energy: 0.5403805696381679
Energy: 0.5269264636340684
Energy: 0.5403805695358416
Energy: 0.526926463635517
Energy: 0.5403805690599429
Energy: 0.5269264636292397
Energy: 0.5456858790917717
Energy: 0.5388126602513581
Energy: 0.5456858790922545
Energy: 0.5388126602513581
Energy: 0.5456858790922545
Energy: 0.5388126602508753
Energy: 0.5488475934829611
Energy: 0.5664832665473639
Energy: 0.5488475934834439
Energy: 0.5664832665478468
Energy: 0.5488475934824782
Energy: 0.5664832665473639
Energy: 0.5124651222944497
Energy: 0.5061833109404374
Energy: 0.512465122293001
Energy: 0.506183310942369
Energy: 0.5124651222683743
Energy: 0.506183310946232
Energy: 0.4656165422983346
Energy: 0.5674380609224922
Energy: 0.4656165423002662
Energy: 0.5674380609229751
Energy: 0.46561654229978333
Energy: 0.5674380609224922
Energy: 0.5055487118019123
Energy: 0.5376880962879829
Energy: 0.5055487118014294
Energy: 0.5376880962870171
Energy: 0.5055487118014294
Energy: 0.5376880962870171
Energy: 0.5275607123013563
Energy: 0.4971727312932291
Energy: 0.5275607123023219
Energy: 0.49717273066482837
Energy: 0.5275607123023219
Energy: 0.49717272865355117
Energy: 0.46914197013646103
Energy: 0.5028806719112627
Energy: 0.4691419701369439
Energy: 0.5028806719093751
Energy: 0.46914197013742687
Energy: 0.5028806719084093
Energy: 0.5052047561969072
Energy: 0.5221685174756425
Energy: 0.5052047561959414
Energy: 0.5221685174751596
Energy: 0.5052047561964242
Energy: 0.5221685174751596
Energy: 0.5113569643770532
Energy: 0.4992552836767724
Energy: 0.5113569642752097
Energy: 0.4992552836796697
Energy: 0.511356964078283
Energy: 0.49925528367725536
Energy: 0.48661991536508414
Energy: 0.5093185041774685
Energy: 0.4866199164346603
Energy: 0.5093185041769858
Energy: 0.4866199100094335
Energy: 0.5093185041755371
Energy: 0.5059040033324173
Energy: 0.505473759568865
Energy: 0.5059040033314516
Energy: 0.505473759568865
Energy: 0.5059040033324173
Energy: 0.5054737595683821
Energy: 0.46063811746054206
Energy: 0.4993917167774628
Energy: 0.460638117461025
Energy: 0.4993917167789114
Energy: 0.46063811746054206
Energy: 0.49939171677649696

minimum gb energy = 0.44975280964917624 eV
minimum distance =  2.35488637079373 Angstroms
sigma value = 81


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

Energy: -0.0344065493298922
Energy: -0.006823178889849065
Energy: -0.0344065493298922
Energy: -0.006823178889849065
Energy: -0.0344065493298922
Energy: -0.006823178889849065
Energy: 0.7344846292067907
Energy: -0.0069865726320888005
Energy: 0.7344846292067907
Energy: -0.006986596876538335
Energy: 0.7344846292085649
Energy: -0.006986598864539889
Energy: 0.7344800158685356
Energy: -0.007293661677996401
Energy: 0.7344800158685356
Energy: -0.007293652580375151
Energy: 0.7344800158685356
Energy: -0.007293656366618509
Energy: -0.0344065493298922
Energy: -0.006823178889849065
Energy: -0.0344065493298922
Energy: -0.006823178889849065
Energy: -0.0344065493298922
Energy: -0.006823178889849065
Energy: 0.7344846292067907
Energy: -0.006986593411265574
Energy: 0.7344846292067907
Energy: -0.006986582607580762
Energy: 0.7344846292067907
Energy: -0.006986592859728411
Energy: 0.7344800158685356
Energy: -0.007293660871094062
Energy: 0.7344800158685356
Energy: -0.007293660599761002
Energy: 0.7344800158685356
Energy: -0.00729365667694385
Energy: -0.0344065493298922
Energy: -0.006823178889849065
Energy: -0.0344065493298922
Energy: -0.006823178889849065
Energy: -0.0344065493298922
Energy: -0.006823178889849065
Energy: 0.7344846292067907
Energy: -0.0069865960501196925
Energy: 0.7344846292067907
Energy: -0.0069865876192785675
Energy: 0.7344846292067907
Energy: -0.006986598827281493
Energy: 0.7344800158685356
Energy: -0.007293653036145335
Energy: 0.7344800158685356
Energy: -0.007293658897286181
Energy: 0.7344800158685356
Energy: -0.0072936575157819565
Energy: -0.0344065493298922
Energy: -0.006823178889849065
Energy: -0.0344065493298922
Energy: -0.006823178889849065
Energy: -0.0344065493298922
Energy: -0.006823178889849065

minimum gb energy = -0.0344065493298922 eV
minimum distance =  2.52918698626183 Angstroms
sigma value = 3


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

Energy: 0.36560352453876893
Energy: 0.3545109662147823
Energy: 0.36560352453929984
Energy: 0.3545109662147823
Energy: 0.36560352453876893
Energy: 0.3545109662147823
Energy: 0.22397321890817545
Energy: 0.2727189701267769
Energy: 0.22397321890711358
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Energy: 0.22397321890817545
Energy: 0.272718970126246
Energy: 0.3423235745183814
Energy: 0.27083127896885895
Energy: 0.3423235745199742
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Energy: 0.300555305802035
Energy: 0.2858992804073126
Energy: 0.300555305802035
Energy: 0.285899271135413
Energy: 0.3005553058025659
Energy: 0.2858992534402444
Energy: 0.28981196709215695
Energy: 0.2703816216323565
Energy: 0.28981196709215695
Energy: 0.2703816216323565
Energy: 0.28981196709215695
Energy: 0.2703816216323565
Energy: 0.33746818088138353
Energy: 0.29918843783144317
Energy: 0.3374681808718266
Energy: 0.2991884378303813
Energy: 0.3374681808723575
Energy: 0.2991884378309122
Energy: 0.31380060700750806
Energy: 0.4342323528145997
Energy: 0.31380060700803897
Energy: 0.43423235281406874
Energy: 0.31380060700803897
Energy: 0.43423235281353784
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Energy: 0.28622363354951535
Energy: 0.15195428517267975
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Energy: 0.3109950707924232
Energy: 0.3476069212451631
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Energy: -1.0493487933405075
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Energy: 0.33880197781105803
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Energy: 0.3388019777983155
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Energy: 0.2998726195706839
Energy: 0.2851868441864967
Energy: 0.22648621888441892
Energy: 0.28518684418702767
Energy: 0.22648621888601173
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Energy: 0.31778420268053187
Energy: 0.32837190730197635
Energy: 0.3177842026677894
Energy: 0.32837190730038357
Energy: 0.31778420259027257
Energy: 0.32837190730197635
Energy: 0.26997471166842724
Energy: 0.1469880665835799
Energy: 0.2699747116694891
Energy: 0.14698806732978786
Energy: 0.2699747116694891
Energy: 0.14698806737062176
Energy: 0.2708032593761788
Energy: 0.29721062630159994
Energy: 0.2708032593767097
Energy: 0.29721062630159994
Energy: 0.2708032593767097
Energy: 0.29721062630159994
Energy: 0.3919662079940603
Energy: 0.32618836356409386
Energy: 0.3919662079919366
Energy: 0.32618836356409386
Energy: 0.3919662079972459
Energy: 0.32618836356409386
Energy: 0.25332371376934965
Energy: 0.14777423117641725
Energy: 0.22131772105247094
Energy: 0.14777423117641725
Energy: 0.22071982333273774
Energy: 0.14777423117588628
Energy: 0.2662702156234197
Energy: 0.32180818187035193
Energy: 0.26627021562395065
Energy: 0.3218081818071704
Energy: 0.26627021562395065
Energy: 0.32180818169306724
Energy: 0.3413970466880069
Energy: 0.2835010535017121
Energy: 0.341397046687476
Energy: 0.2835010535017121
Energy: 0.3413970466885379
Energy: 0.2835010535017121
Energy: 0.3130888369850043
Energy: 0.20746844765279737
Energy: 0.3130888197621284
Energy: 0.20746844765173544
Energy: 0.3130887795492895
Energy: 0.2074684476522664
Energy: 0.31413215384433923
Energy: 0.35320725535182723
Energy: 0.31413215384327736
Energy: 0.3532072553512963
Energy: 0.31413215384433923
Energy: 0.3532072553523582
Energy: 0.3586412384956395
Energy: 0.2837992671360845
Energy: 0.35864123849404667
Energy: 0.2837992671360845
Energy: 0.35864123849617047
Energy: 0.2837992671350227
Energy: 0.3160901444048868
Energy: 0.41981016605222404
Energy: 0.31609014440541777
Energy: 0.41981016605222404
Energy: 0.31609014440223215
Energy: 0.419810166051693
Energy: 0.3708647062333793
Energy: 0.3519527870460876
Energy: 0.3708645344654738
Energy: 0.35195278704661853
Energy: 0.370864140403274
Energy: 0.35195278704661853
Energy: 0.35115046056665516
Energy: 0.29932586254902854
Energy: 0.35115046056665516
Energy: 0.29932586254955945
Energy: 0.3511504605671861
Energy: 0.29932586254955945
Energy: 0.26575561143975146
Energy: 0.3322147479053922
Energy: 0.26575561143975146
Energy: 0.33221474789264965
Energy: 0.26575561144028237
Energy: 0.33221474785287763

minimum gb energy = -1.195126934342986 eV
minimum distance =  2.37050139330643 Angstroms
sigma value = 67


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

Energy: 0.3345653724570393
Energy: 0.428000066070158
Energy: 0.33456537245552626
Energy: 0.428000066070158
Energy: 0.3345653724547697
Energy: 0.42800006606940155
Energy: 0.4157230430629899
Energy: 0.05093164657319879
Energy: 0.41572304306147684
Energy: 0.05093164656336396
Energy: 0.41572304306072033
Energy: 0.050931646574711845
Energy: 0.4735173708363857
Energy: 0.41221625079934954
Energy: 0.4735173708363857
Energy: 0.41221625080010604
Energy: 0.4735173708363857
Energy: 0.41221625079934954
Energy: 0.3604975362662061
Energy: 0.5081680036409871
Energy: 0.36049753626242353
Energy: 0.5081680036417436
Energy: 0.36049753626318
Energy: 0.5081680036425001
Energy: 0.46207149246262513
Energy: 0.27637137018039065
Energy: 0.4620714924633817
Energy: 0.2763713701788776
Energy: 0.46207149246262513
Energy: 0.2763713701788776
Energy: 0.484680738200688
Energy: 0.42832086967176153
Energy: 0.484680738200688
Energy: 0.42832086967176153
Energy: 0.4846807382022011
Energy: 0.42832086967176153
Energy: 0.31097455646094724
Energy: 0.49014241727334285
Energy: 0.31097455646094724
Energy: 0.4901424170804977
Energy: 0.3109745564617037
Energy: 0.4901424166842847
Energy: 0.5511779579266545
Energy: 0.28894319291591486
Energy: 0.5511779579266545
Energy: 0.2889431929128888
Energy: 0.5511779579266545
Energy: 0.28894319291591486
Energy: 0.4999223714336464
Energy: -2.0734435499030752
Energy: 0.4999223714328898
Energy: -2.0226167430541255
Energy: 0.4999223714336464
Energy: -2.1449574340032163
Energy: 0.4306613577485323
Energy: 0.4630384790292721
Energy: 0.43066135774777575
Energy: 0.4630384790285156
Energy: 0.43066135774777575
Energy: 0.4630384790292721
Energy: 0.44832147356251023
Energy: 0.4323766760680379
Energy: 0.4483214683183449
Energy: 0.432376676069551
Energy: 0.44832145339870116
Energy: 0.43237667606879443
Energy: 0.4295897904605713
Energy: 0.4245487624367641
Energy: 0.42958979045988355
Energy: 0.4245473858103948
Energy: 0.42958979045912704
Energy: 0.4245404526005561
Energy: 0.43231711897142133
Energy: 0.43852169173733685
Energy: 0.4323171189706648
Energy: 0.4385216917365803
Energy: 0.43231711897142133
Energy: 0.43852169173809336
Energy: 0.46883332160871755
Energy: 0.06363924088922679
Energy: 0.4688333216072045
Energy: 0.06363924088922679
Energy: 0.4688333216072045
Energy: 0.06363924088922679
Energy: 0.37070171986450406
Energy: 0.39314914984451266
Energy: 0.3707017198667737
Energy: 0.3931491498460257
Energy: 0.3707017198660172
Energy: 0.39314914984451266
Energy: 0.05700094074144159
Energy: 0.44301143161267165
Energy: 0.05700094073992854
Energy: 0.44301143161191514
Energy: 0.05700094074446769
Energy: 0.44301143161267165
Energy: 0.49424327298722587
Energy: 0.06176418342767432
Energy: 0.49424327297436493
Energy: 0.06176418342767432
Energy: 0.4942432729244343
Energy: 0.061764183426161266
Energy: 0.3458977020238969
Energy: 0.43450442029664044
Energy: 0.34589770200422726
Energy: 0.43450442029664044
Energy: 0.3458977019981751
Energy: 0.43450442029664044
Energy: 0.3100806523305673
Energy: 0.47377453438534023
Energy: 0.3100806523305673
Energy: 0.47377453438609674
Energy: 0.3100806523305673
Energy: 0.47377453438534023
Energy: 0.7364332608400405
Energy: 0.05085827562194007
Energy: 0.7364332608385274
Energy: 0.050858275620427024
Energy: 0.7364332608385274
Energy: 0.05085827561967048
Energy: 0.35518786384099305
Energy: 0.4387414690423871
Energy: -2.505470439373924
Energy: 0.4387414690423871
Energy: -2.447254773557017
Energy: 0.43874146904314354
Energy: 0.39664180241396313
Energy: -2.493378065342471
Energy: 0.3966418024154762
Energy: -2.1546214858349124
Energy: 0.39664180241396313
Energy: -2.2815976374259463
Energy: 0.47319516294083475
Energy: 0.0528963317676341
Energy: 0.47319516294007824
Energy: 0.05289633176839062
Energy: 0.47319516294007824
Energy: 0.0528963317676341

minimum gb energy = -2.505470439373924 eV
minimum distance =  2.36321854292311 Angstroms
sigma value = 33


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

Energy: 0.45431820641675963
Energy: 0.5676792485989443
Energy: 0.4543182064162796
Energy: 0.5676792485989443
Energy: 0.45431820641436005
Energy: 0.5676792485989443
Energy: 0.4956481445247146
Energy: 0.3846994355404184
Energy: 0.4956481445242346
Energy: 0.38469943553993846
Energy: 0.4956481445242346
Energy: 0.3846994355413782
Energy: 0.4353687560101986
Energy: 0.37735272066800807
Energy: 0.4353687560130782
Energy: 0.37735272066896797
Energy: 0.4353687560130782
Energy: 0.37735272066944786
Energy: 0.38640329257885203
Energy: 0.6068116294580301
Energy: 0.3864032925764524
Energy: 0.6068116294565905
Energy: 0.3864032925774122
Energy: 0.6068116294570702
Energy: 0.5831992939466302
Energy: 0.4261163356843802
Energy: 0.5831992939475901
Energy: 0.4261163356853401
Energy: 0.5831992939471102
Energy: 0.42611633568629986
Energy: -0.9305437291539052
Energy: 0.5796862971863074
Energy: -1.2728381633910064
Energy: 0.5796862644262639
Energy: -1.1369463430874571
Energy: 0.5796861830541168
Energy: 0.3756011689318508
Energy: 0.6095998173155258
Energy: 0.375601168930891
Energy: 0.6095998173150458
Energy: 0.3756011689318508
Energy: 0.6095998173150458
Energy: 0.6780680012876393
Energy: 0.5636162685467796
Energy: 0.6780680012876393
Energy: 0.5636162685467796
Energy: 0.6780680012876393
Energy: 0.5636162685462996
Energy: 0.526348610620864
Energy: 0.5600295541107829
Energy: 0.5263486106213439
Energy: 0.5600295541088632
Energy: 0.5263486106203841
Energy: 0.5600295541088632
Energy: 0.07076724445131286
Energy: 0.606478332838978
Energy: 0.07076724445131286
Energy: 0.5942979920076326
Energy: 0.07076724445227271
Energy: 0.5682246580977932
Energy: 0.5895372478417852
Energy: 0.4248521167021095
Energy: 0.5895372478413053
Energy: 0.4248521167035493
Energy: 0.5895372478408254
Energy: 0.4248521167054689
Energy: 0.51067754095224
Energy: 0.5412355106954884
Energy: 0.5106775409531998
Energy: 0.5412355106950085
Energy: 0.5106775409531998
Energy: 0.5412355106935687
Energy: 0.08538694754943593
Energy: 0.459034714698453
Energy: 0.08538694754895601
Energy: 0.4590347146994128
Energy: 0.08538694754751623
Energy: 0.4590347146994128
Energy: 0.5176846379883593
Energy: 0.3842238500731146
Energy: 0.5176846379893192
Energy: 0.3842238500755142
Energy: 0.5176846379883593
Energy: 0.38422385007359444
Energy: 0.46797297593296433
Energy: 0.5325595067235505
Energy: 0.46797297593152454
Energy: 0.5325595067230706
Energy: 0.4679729759344041
Energy: 0.5325595067249904
Energy: 0.3899337487272506
Energy: 0.5242134212382812
Energy: 0.389933748724851
Energy: 0.5242134212306023
Energy: 0.38993374872533093
Energy: 0.5242134211706553
Energy: 0.5868991664280752
Energy: 0.3756983703822858
Energy: 0.5868991664295148
Energy: 0.3756983703822858
Energy: 0.5868991664271153
Energy: 0.37569837038276577
Energy: 0.45583797419345984
Energy: -1.2602095900609775
Energy: 0.45583772620821006
Energy: -1.2559640266379284
Energy: 0.4558319624103521
Energy: -1.2492146609137371
Energy: 0.49204590922599944
Energy: 0.6345034898060009
Energy: 0.49204590922647945
Energy: 0.6345034898060009
Energy: 0.49204590922599944
Energy: 0.634503489805041
Energy: 0.6090110777009007
Energy: 0.38433113703931554
Energy: 0.6090110777004208
Energy: 0.38433113703979543
Energy: 0.6090110776999408
Energy: 0.3843311370402754
Energy: 0.3762549538941386
Energy: 0.5274886491724696
Energy: 0.37625495389365865
Energy: 0.527488649176309
Energy: 0.37625495389365865
Energy: 0.5274886491542324
Energy: 0.48210826457479167
Energy: 0.5701571540641496
Energy: 0.48210826457719136
Energy: 0.5701571540636695
Energy: 0.48210826457623146
Energy: 0.5701571540636695
Energy: 0.6150728869611152
Energy: 0.42416359786606755
Energy: 0.6150728814098639
Energy: 0.4241635978675073
Energy: 0.6150728658365092
Energy: 0.4241635978675073
Energy: 0.07904652085389209
Energy: 0.545134263213642
Energy: 0.07904652085485195
Energy: 0.545134263213642
Energy: 0.07904652085341217
Energy: 0.5451342632131622
Energy: 0.5140024105744739
Energy: 0.5233019467616675
Energy: 0.5140024105778334
Energy: 0.5233019467602278
Energy: 0.5140024105754337
Energy: 0.5233019467607076
Energy: 0.6806187055429994
Energy: 0.5248595574612206
Energy: 0.6806187055429994
Energy: 0.5248595574612206
Energy: 0.680618705545879
Energy: 0.5248595574617005
Energy: 0.3772594064050498
Energy: 0.5601079445881064
Energy: 0.37725940640361
Energy: 0.5601079445881064
Energy: 0.37725940640169037
Energy: 0.5601079445881064
Energy: 0.3757988309571356
Energy: -0.682853475579037
Energy: 0.3757988309571356
Energy: 0.5862527090615276
Energy: 0.3757988309571356
Energy: 0.58618530084907
Energy: 0.6147709402389042
Energy: 0.4247158950674978
Energy: 0.6147709402389042
Energy: 0.4247158950689375
Energy: 0.6147709402398641
Energy: 0.4247158950708573
Energy: 0.3865224961637762
Energy: 0.6077691185410604
Energy: 0.38652249616473605
Energy: 0.6077691185415404
Energy: 0.38652249616425616
Energy: 0.6077691185420202
Energy: -1.196904486990987
Energy: -0.9918689422040731
Energy: -1.0813684089121063
Energy: -1.372004938369335
Energy: -1.3594621898647943
Energy: -1.415038370063873
Energy: 0.5749139260985513
Energy: 0.38480187491677764
Energy: 0.5749139260980715
Energy: 0.3848018749134181
Energy: 0.5749139260975915
Energy: 0.38480187491101847
Energy: 0.4911044753212075
Energy: 0.5233658038675358
Energy: 0.4911044753197678
Energy: 0.5233658038296217
Energy: 0.4911044753207276
Energy: 0.5233658037543171
Energy: 0.46614126643479836
Energy: 0.3850522390428445
Energy: 0.46614126643479836
Energy: 0.3850522390342059
Energy: 0.4661412664357582
Energy: 0.3850522390404449
Energy: 0.5485913285752031
Energy: 0.37836029220771344
Energy: 0.5485913285752031
Energy: 0.37836029220771344
Energy: 0.5485913285752031
Energy: 0.3783602922110729
Energy: 0.08493131028020352
Energy: 0.47531208964266974
Energy: 0.0849313102816433
Energy: 0.47531208964266974
Energy: 0.0849313102816433
Energy: 0.47531208964314964
Energy: 0.512138041006697
Energy: 0.49193662545646927
Energy: 0.5121380410071769
Energy: 0.49193662545646927
Energy: 0.512138041006697
Energy: 0.4919366254569491

minimum gb energy = -1.415038370063873 eV
minimum distance =  2.37959904988848 Angstroms
sigma value = 41


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

Energy: 0.7025373108143399
Energy: 0.7298583363005078
Energy: 0.7025373108143399
Energy: 0.7298583363005078
Energy: 0.7025373108143399
Energy: 0.7298583363005078
Energy: 0.7556394072231033
Energy: 0.7281226572127063
Energy: 0.7556394072244136
Energy: 0.7281226572127063
Energy: 0.7556394072244136
Energy: 0.7281226572113959
Energy: 0.7956477872073949
Energy: 0.7259036263114347
Energy: 0.7956477872073949
Energy: 0.7259036263114347
Energy: 0.7956477872060846
Energy: 0.7259036263114347
Energy: 0.6971048047472993
Energy: 0.8146217739790561
Energy: 0.6971048047472993
Energy: 0.8146217739777458
Energy: 0.6971048047472993
Energy: 0.8146217739790561
Energy: 0.7951151924320272
Energy: 0.7333307580604383
Energy: 0.7951151924333375
Energy: 0.733330758059128
Energy: 0.7951151924333375
Energy: 0.733330758059128
Energy: 0.8112904569933103
Energy: 0.806875788594844
Energy: 0.8112904569946205
Energy: 0.806875788594844
Energy: 0.8112904569946205
Energy: 0.806875788594844
Energy: 0.6979878454564329
Energy: 0.7742625433070245
Energy: 0.6979878454551225
Energy: 0.7742625433070245
Energy: 0.6979878454551225
Energy: 0.7742625433070245
Energy: 0.7415305586479574
Energy: 0.7287686148528978
Energy: 0.7415305586479574
Energy: 0.7287686148528978
Energy: 0.7415305586466471
Energy: 0.7287686148528978
Energy: 0.761183919193041
Energy: 0.7488692171831001
Energy: 0.761183919193041
Energy: 0.7488692171831001
Energy: 0.761183919193041
Energy: 0.7488692171831001
Energy: 0.6976031218607344
Energy: 0.799916369935969
Energy: 0.6976031218607344
Energy: 0.799916369935969
Energy: 0.6976031218607344
Energy: 0.799916369935969
Energy: 0.7554884541149381
Energy: 0.726792334139415
Energy: 0.7554884541149381
Energy: 0.726792334139415
Energy: 0.7554884541149381
Energy: 0.726792334139415
Energy: 0.755021907071505
Energy: 0.726816081846739
Energy: 0.7550219070728154
Energy: 0.726816081846739
Energy: 0.7550219070728154
Energy: 0.726816081846739
Energy: 0.7318707621882935
Energy: 0.8114465062026707
Energy: 0.7318707621882935
Energy: 0.8114465062000501
Energy: 0.7318707621869831
Energy: 0.8114465062026707
Energy: 0.7939399633305179
Energy: 0.7284518271323374
Energy: 0.7939399633305179
Energy: 0.7284518271323374
Energy: 0.7939399633292075
Energy: 0.7284518271323374

minimum gb energy = 0.6971048047472993 eV
minimum distance =  2.36976272061518 Angstroms
sigma value = 11


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

Energy: 0.8544748815601024
Energy: 0.9176695306649469
Energy: 0.8544748815601024
Energy: 0.9176695306655226
Energy: 0.8544748815601024
Energy: 0.9176695306655226
Energy: 0.9160393396457315
Energy: 0.8700554424111956
Energy: 0.9160393396451558
Energy: 0.8700554424117711
Energy: 0.9160393396451558
Energy: 0.8700554424077418
Energy: 1.007096852203878
Energy: 0.8890350366845927
Energy: 1.007096852203878
Energy: 0.8890350366845927
Energy: 1.0070968522044537
Energy: 0.8890350366845927
Energy: 0.8503794131785671
Energy: 0.9552736764468672
Energy: 0.8503794131785671
Energy: 0.9552736764468672
Energy: 0.8503794131785671
Energy: 0.9552736764462916
Energy: 0.9817679464515868
Energy: 0.9098875693669075
Energy: 0.9048435543617943
Energy: 0.9098875693674833
Energy: 0.904702657458475
Energy: 0.9098875693674833
Energy: 0.8892163170960362
Energy: 0.8836107118568916
Energy: 0.8892163170954606
Energy: 0.8836107118511353
Energy: 0.8892163170948848
Energy: 0.8836107118488328
Energy: 0.8729782363846786
Energy: 1.005080633584568
Energy: 0.8729782363846786
Energy: 1.0050806335839924
Energy: 0.8729782363852544
Energy: 1.005080633584568
Energy: 0.9691878743827493
Energy: 0.864146999298793
Energy: 0.9691878743821736
Energy: 0.864146999298793
Energy: 0.9691878743827493
Energy: 0.8641469992982175
Energy: 0.9575361773336656
Energy: 0.864716330561219
Energy: 0.9575361773342412
Energy: 0.8647163305617946
Energy: 0.9575361773336656
Energy: 0.8647163305617946
Energy: 0.8962159353969311
Energy: 0.96091242806269
Energy: 0.8962159353969311
Energy: 0.9609124280575094
Energy: 0.8962159353969311
Energy: 0.9609124280442961
Energy: 0.9659233932082345
Energy: 0.9018833490161198
Energy: 0.9659233932088103
Energy: 0.9018833490155441
Energy: 0.965923393207659
Energy: 0.9018833490161198
Energy: 0.9577170992228722
Energy: 0.9355328198921774
Energy: 0.9577170992234477
Energy: 0.9355328198921774
Energy: 0.9577170992228722
Energy: 0.935532819892753
Energy: 0.8518947542157549
Energy: 0.9522674516433389
Energy: 0.8518947542151791
Energy: 0.9522674516427632
Energy: 0.8518947542151791
Energy: 0.9522674516433389
Energy: 0.9997536118759208
Energy: 0.8596344043851342
Energy: 0.9997536118759208
Energy: 0.8596344043857097
Energy: 0.9997536118759208
Energy: 0.8596344043857097
Energy: 0.9285093482705593
Energy: 0.8854306127405384
Energy: 0.9285093482705593
Energy: 0.8854306127405384
Energy: 0.9285093482705593
Energy: 0.8854306127411139
Energy: 0.8965640235842307
Energy: 0.9476887713689406
Energy: 0.8965640235836552
Energy: 0.9476887713689406
Energy: 0.8965640235836552
Energy: 0.947688771368365
Energy: 0.9209956489693839
Energy: 0.8719093535576978
Energy: 0.9209956489682325
Energy: 0.8719093535571221
Energy: 0.9209956489688084
Energy: 0.8719093535571221
Energy: 0.9430851432514451
Energy: 0.942427969300093
Energy: 0.9430851432520206
Energy: 0.9424279692989418
Energy: 0.9430851432514451
Energy: 0.9424279692983661
Energy: 0.8877033236340595
Energy: 0.9407365671801963
Energy: 0.8877033236340595
Energy: 0.9407365671796205
Energy: 0.887703323634635
Energy: 0.9407365671801963
Energy: 0.9337943424087082
Energy: 0.8852101319106442
Energy: 0.9337943424023764
Energy: 0.8852101319112198
Energy: 0.9337943423862587
Energy: 0.8852101319106442
Energy: 0.8771557322802297
Energy: 0.9263976010188476
Energy: 0.8771557322808053
Energy: 0.9263976010194233
Energy: 0.8771557322808053
Energy: 0.9263976010188476
Energy: 0.8240619154233823
Energy: 1.0040681283666475
Energy: 0.8240619154285628
Energy: 1.004068128365496
Energy: 0.8240619154245336
Energy: 1.0040681283660717
Energy: 0.9758350678431724
Energy: 0.888377281667111
Energy: 0.975835067843748
Energy: 0.8883772816665354
Energy: 0.975835067843748
Energy: 0.8883772816665354
Energy: 0.963853079073162
Energy: 0.868542392704694
Energy: 0.9638530790725862
Energy: 0.868542392707546
Energy: 0.963853079073162
Energy: 0.8685423927081216
Energy: 0.8973377011398828
Energy: 0.9537697137516449
Energy: 0.8973377011398828
Energy: 0.9537697137516449
Energy: 0.8973377011398828
Energy: 0.9537697137516449
Energy: 0.9864575394336387
Energy: 0.9052963087405034
Energy: 0.9864575394342144
Energy: 0.905296308741079
Energy: 0.9864575394336387
Energy: 0.9052963087405034
Energy: 0.8934544259689543
Energy: 1.0172585826935172
Energy: 0.8934544259695298
Energy: 1.017258582694093
Energy: 0.8934544259689543
Energy: 1.0172585826935172
Energy: 0.8503572124298278
Energy: 0.9255314855319905
Energy: 0.8503572124304033
Energy: 0.925531485531415
Energy: 0.8503572124298278
Energy: 0.925531485531415
Energy: 0.9576282541582927
Energy: 0.8552783346573894
Energy: 0.9576282541588682
Energy: 0.8552783346625701
Energy: 0.9576282541588682
Energy: 0.8552783346568137
Energy: 0.9097504219951917
Energy: 0.8878956274520834
Energy: 0.9097504219946162
Energy: 0.887895627452659
Energy: 0.9097504219946162
Energy: 0.8878956274532348
Energy: 0.8901862644519605
Energy: 0.9930007202569172
Energy: 0.8901862644513849
Energy: 0.9930007202586442
Energy: 0.8901862644519605
Energy: 0.9930007202580685

minimum gb energy = 0.8240619154233823 eV
minimum distance =  2.32324644361228 Angstroms
sigma value = 57


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

Energy: 0.9680709182860745
Energy: 1.024104812715743
Energy: 0.9680709182860745
Energy: 1.024104812714719
Energy: 0.968070918287099
Energy: 1.024104812714719
Energy: 0.9631002131607943
Energy: 1.0150353772317915
Energy: 0.9631002131597698
Energy: 1.0150353772317915
Energy: 0.9631002131607943
Energy: 1.015035377232816
Energy: 1.138647534891426
Energy: 1.0238879455852514
Energy: 1.1386475348904015
Energy: 1.0238879455862757
Energy: 1.138647534891426
Energy: 1.0238879455852514
Energy: 0.959881610708588
Energy: 1.0320080702744951
Energy: 0.959881610708588
Energy: 1.0320080702744951
Energy: 0.9598816107116611
Energy: 1.0320080702744951
Energy: 1.1386829190027297
Energy: 1.0239145526985753
Energy: 1.1386829190027297
Energy: 1.0239145526985753
Energy: 1.1386829190017054
Energy: 1.0239145526985753
Energy: 0.9627623654589001
Energy: 1.0144587934597906
Energy: 0.9627623654599244
Energy: 1.0144587934587663
Energy: 0.9627623654609487
Energy: 1.0144587934597906
Energy: 0.9680709182881231
Energy: 1.024104812715743
Energy: 0.9680709182881231
Energy: 1.024104812715743
Energy: 0.9680709182860745
Energy: 1.0241048127167676
Energy: 0.9631002131618186
Energy: 1.015035377232816
Energy: 0.9631002131587454
Energy: 1.015035377232816
Energy: 0.9631002131607943
Energy: 1.0150353772317915
Energy: 1.1386475348893772
Energy: 1.0238879455852514
Energy: 1.1386475348904015
Energy: 1.0238879455842271
Energy: 1.1386475348904015
Energy: 1.0238879455852514
Energy: 0.9598816107137098
Energy: 1.0955677188013861
Energy: 0.9598816107126854
Energy: 1.0955677188013861
Energy: 0.9598816107137098
Energy: 1.0955677188024104
Energy: 1.1386829190017054
Energy: 1.0239145526995999
Energy: 1.1386829190027297
Energy: 1.0239145526995999
Energy: 1.1386829190017054
Energy: 1.0239145526995999
Energy: 0.9627623654609487
Energy: 1.0144587934597906
Energy: 0.9627623654619732
Energy: 1.014458793460815
Energy: 0.9627623654609487
Energy: 1.0144587934597906
Energy: 0.968070918287099
Energy: 1.0241048127167676
Energy: 0.968070918287099
Energy: 1.0241048127167676
Energy: 0.968070918287099
Energy: 1.024104812715743
Energy: 0.9631002131587454
Energy: 1.015035377232816
Energy: 0.9631002131577211
Energy: 1.0150353772317915
Energy: 0.9631002131577211
Energy: 1.015035377232816
Energy: 1.1386475348924503
Energy: 1.0238879455852514
Energy: 1.138647534891426
Energy: 1.0238879455852514
Energy: 1.1386475348904015
Energy: 1.0238879455852514
Energy: 0.9598816107106368
Energy: 1.0955677188034347
Energy: 0.9598816107137098
Energy: 1.0955677188003619
Energy: 0.959881610708588
Energy: 1.0955677188034347
Energy: 1.1386829190017054
Energy: 1.0239145526985753
Energy: 1.1386829190027297
Energy: 1.0239145526985753
Energy: 1.1386829190017054
Energy: 1.0239145526985753

minimum gb energy = 0.959881610708588 eV
minimum distance =  2.34530079314792 Angstroms
sigma value = 9


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

Energy: 1.107104266709282
Energy: 0.9957999260627197
Energy: 1.107104266709282
Energy: 0.9957999260635562
Energy: 1.1071042667076094
Energy: 0.9957999260577015
Energy: 1.0030189635680344
Energy: 1.0672930916827024
Energy: 1.00301896356218
Energy: 1.0672930916827024
Energy: 1.0030189635688709
Energy: 1.0672930916827024
Energy: 1.0598694838305778
Energy: 0.9917946044475225
Energy: 1.059869483828905
Energy: 0.9917946044466863
Energy: 1.0598694838305778
Energy: 0.9917946044466863
Energy: 0.9961240728505973
Energy: 1.0811854710936448
Energy: 0.9961240728505973
Energy: 1.0811854710936448
Energy: 0.9961240728505973
Energy: 1.0811854710936448
Energy: 1.0493456280164253
Energy: 0.9833947047033498
Energy: 1.049345628015589
Energy: 0.9833947047066953
Energy: 1.049345628015589
Energy: 0.983394704705859
Energy: 1.068620822792228
Energy: 1.0000870658111374
Energy: 1.0686208227930645
Energy: 1.0000870658119738
Energy: 1.0686208227939007
Energy: 1.0000870658111374
Energy: 0.993331191788263
Energy: 1.117333034555887
Energy: 0.9933311917890993
Energy: 1.117333034555887
Energy: 0.993331191788263
Energy: 1.117333034555887
Energy: 0.9903248251152326
Energy: 1.0728518026892304
Energy: 0.990324825114396
Energy: 1.0728518026909033
Energy: 0.9903248251152326
Energy: 1.0728518026909033
Energy: 1.1000485415609986
Energy: 1.0892378662099822
Energy: 1.1000485415609986
Energy: 1.0892378662099822
Energy: 1.1000485415609986
Energy: 1.0892378662099822
Energy: 0.9960605682368867
Energy: 1.0499155845925179
Energy: 0.9960605682352139
Energy: 1.0499155845925179
Energy: 0.9960605682368867
Energy: 1.0499155845916814
Energy: 1.0623410484999414
Energy: 1.023113529298229
Energy: 1.0623410484982687
Energy: 1.0231135292973925
Energy: 1.0623410484974325
Energy: 1.023113529298229
Energy: 1.1227977219042227
Energy: 1.0006441461674696
Energy: 1.12279772190255
Energy: 1.0006441461674696
Energy: 1.12279772190255
Energy: 1.0006441461674696
Energy: 0.9913436194658825
Energy: 1.0660820910600364
Energy: 0.9913436194658825
Energy: 1.066082091060873
Energy: 0.991343619465046
Energy: 1.066082091060873
Energy: 1.0736882325272987
Energy: 1.082577452699061
Energy: 1.073688232528135
Energy: 1.082577452699061
Energy: 1.073688232528135
Energy: 1.082577452699061
Energy: 1.1143745379581629
Energy: 0.9980875622059014
Energy: 1.1143745379581629
Energy: 0.9980875622067378
Energy: 1.1143745379589993
Energy: 0.9980875622067378
Energy: 1.0658042523260238
Energy: 1.1065576422494765
Energy: 1.0658042523260238
Energy: 1.1065576422486398
Energy: 1.0658042523260238
Energy: 1.1065576422486398
Energy: 0.991776099247202
Energy: 1.0727126511218215
Energy: 0.9917760992513838
Energy: 1.0727126511234941
Energy: 0.9917760992455292
Energy: 1.0727126511218215
Energy: 1.256412108571142
Energy: 1.0004291857894345
Energy: 1.256412108571142
Energy: 1.0004291857894345
Energy: 1.2564121085719784
Energy: 1.0004291857894345
Energy: 0.9947747253496467
Energy: 1.0754581337415963
Energy: 0.9947747253496467
Energy: 1.0754581337424327
Energy: 0.9947747253496467
Energy: 1.0754581337424327
Energy: 1.0327187821363988
Energy: 1.019907818018824
Energy: 1.0327187821372354
Energy: 1.0199078180179875
Energy: 1.0327187821363988
Energy: 1.0199078180179875
Energy: 1.0482878134619824
Energy: 1.0026234412732105
Energy: 1.0482878134619824
Energy: 1.0026234412732105
Energy: 1.0482878134619824
Energy: 1.0026234412732105

minimum gb energy = 0.9833947047033498 eV
minimum distance =  2.32937477639797 Angstroms
sigma value = 27


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

Energy: 1.0574871178617817
Energy: 1.1078143129041869
Energy: 1.0574871178631915
Energy: 1.1078143129041869
Energy: 1.0574871178631915
Energy: 1.1078143129041869
Energy: 1.090715148051064
Energy: 1.0473183259124097
Energy: 1.0907151480517692
Energy: 1.0473183259124097
Energy: 1.090715148051064
Energy: 1.0473183259124097
Energy: 1.0646404904480657
Energy: 1.0658407810176274
Energy: 1.064640490449476
Energy: 1.0658407810176274
Energy: 1.064640490452296
Energy: 1.0658407810176274
Energy: 1.092980888735994
Energy: 1.0622863377483875
Energy: 1.0929808887352892
Energy: 1.0622863377483875
Energy: 1.0929808887345842
Energy: 1.0622863377483875
Energy: 1.0271781250367271
Energy: 1.0618973923891395
Energy: 1.027178125037432
Energy: 1.0618973923877297
Energy: 1.0271781250367271
Energy: 1.0618973923884347
Energy: 1.0646371509405668
Energy: 1.0487590085657805
Energy: 1.064637150939862
Energy: 1.0487590085664855
Energy: 1.0646371509405668
Energy: 1.0487590085657805
Energy: 1.0544620835646148
Energy: 1.0800362810273465
Energy: 1.05446208356391
Energy: 1.0800362810280513
Energy: 1.05446208356391
Energy: 1.0800362810259683
Energy: 1.0884505526963002
Energy: 1.0949271250479902
Energy: 1.0884505526941852
Energy: 1.0949271250437602
Energy: 1.0884505526955952
Energy: 1.0949271250486952
Energy: 1.0396824899281412
Energy: 1.0489947480940334
Energy: 1.039682489941536
Energy: 1.0489947480933284
Energy: 1.0396824899281412
Energy: 1.0489947480933284
Energy: 1.0551581990881589
Energy: 1.035198385856251
Energy: 1.0551581990888639
Energy: 1.0351983858555462
Energy: 1.055158199087454
Energy: 1.035198385856251
Energy: 1.0708013602713873
Energy: 1.0446101417036582
Energy: 1.0708013602713873
Energy: 1.0446101417029532
Energy: 1.0708013602720923
Energy: 1.0446101417036582
Energy: 1.039328354388858
Energy: 1.0475783330222228
Energy: 1.039328354389563
Energy: 1.0475783330215176
Energy: 1.039328354389563
Energy: 1.0475783330215176
Energy: 1.2557563523549309
Energy: 1.0786210520546256
Energy: 1.2557563523648008
Energy: 1.0786210520525428
Energy: 1.2557563523640958
Energy: 1.0786210520546256
Energy: 1.0518972763014824
Energy: 1.0807301573547057
Energy: 1.0518972762916123
Energy: 1.0807301573547057
Energy: 1.0518972762972523
Energy: 1.0807301573547057
Energy: 1.0678395770355005
Energy: 1.0484115887230576
Energy: 1.0678395770355005
Energy: 1.0484115887237628
Energy: 1.0678395770355005
Energy: 1.0484115887237628
Energy: 1.06960166850737
Energy: 1.0614306428403384
Energy: 1.069601668508075
Energy: 1.0614306428403384
Energy: 1.06960166850737
Energy: 1.0614306428396332
Energy: 1.047578062980797
Energy: 1.0703468125828912
Energy: 1.047578062980092
Energy: 1.0703468125835964
Energy: 1.047578062980797
Energy: 1.0703468125843012
Energy: 1.072181197412836
Energy: 1.0659420675573157
Energy: 1.072181197412836
Energy: 1.065942067558021
Energy: 1.0721811974121311
Energy: 1.065942067558021
Energy: 1.0670101334454307
Energy: 1.049001985773389
Energy: 1.0670101334447257
Energy: 1.049001985774094
Energy: 1.0670101334447257
Energy: 1.049001985774094
Energy: 1.0574871178631915
Energy: 1.1078143129034819
Energy: 1.0574871178646017
Energy: 1.1078143129034819
Energy: 1.0574871178631915
Energy: 1.1078143129034819
Energy: 1.0907151480517692
Energy: 1.0473183259124097
Energy: 1.090715148052474
Energy: 1.0473183259131147
Energy: 1.0907151480517692
Energy: 1.0473183259124097
Energy: 1.064640490452296
Energy: 1.0658407810183321
Energy: 1.0646404904530007
Energy: 1.0658407810183321
Energy: 1.064640490452296
Energy: 1.0658407810183321
Energy: 1.092980888733879
Energy: 1.0622863377476826
Energy: 1.0929808887345842
Energy: 1.0622863377476826
Energy: 1.0929808887345842
Energy: 1.0622863377476826
Energy: 1.0271781250339072
Energy: 1.0618973923870245
Energy: 1.0271781250346121
Energy: 1.0618973923877297
Energy: 1.0271781250339072
Energy: 1.0618973923870245
Energy: 1.0646371509412718
Energy: 1.0487590085664855
Energy: 1.0646371509405668
Energy: 1.0487590085671905
Energy: 1.064637150939862
Energy: 1.0487590085678955

minimum gb energy = 1.0271781250339072 eV
minimum distance =  2.33101726903196 Angstroms
sigma value = 19


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

Energy: 0.9950310403732919
Energy: 1.023636978027254
Energy: 0.9950310403739006
Energy: 1.023636978027254
Energy: 0.9950310403751177
Energy: 1.0236369780266454
Energy: 1.011059058765716
Energy: 1.0237025760241962
Energy: 1.0110590587663246
Energy: 1.0237025760241962
Energy: 1.0110590587651074
Energy: 1.0237025760248049
Energy: 1.0546756223925167
Energy: 1.0156441450982356
Energy: 1.0546756223931253
Energy: 1.015644145098844
Energy: 1.0546756223937062
Energy: 1.015644145098844
Energy: 1.0155458342240782
Energy: 0.9877087414108002
Energy: 1.0155458342228612
Energy: 0.9877087414101917
Energy: 1.01554583422347
Energy: 0.9877087414101917
Energy: 1.0215760653573849
Energy: 1.0157247823157747
Energy: 1.0215760653598194
Energy: 1.015724782315166
Energy: 1.0215760653598194
Energy: 1.0157247823157747
Energy: 0.9834962837864369
Energy: 1.016516586452795
Energy: 0.9834962837858284
Energy: 1.0165165864540122
Energy: 0.9834962837852199
Energy: 1.0165165864534036
Energy: 1.0201336560353116
Energy: 1.0243834693824927
Energy: 1.020133656034703
Energy: 1.024383469381884
Energy: 1.020133656034703
Energy: 1.024383469381884
Energy: 1.0283719840994239
Energy: 1.037086152554063
Energy: 1.0283719840994239
Energy: 1.03708615255528
Energy: 1.0283719840994239
Energy: 1.0370861525546715
Energy: 1.0314001269110515
Energy: 1.018138962537556
Energy: 0.46477814859109706
Energy: 1.0181389625369477
Energy: 0.44358582463591517
Energy: 1.0181389625369477
Energy: 1.0181519977857216
Energy: 1.0120991735714677
Energy: 1.0181519977857216
Energy: 1.0120991735714677
Energy: 1.0181519977857216
Energy: 1.0120991735714677
Energy: 1.0153878087081474
Energy: 1.0772491549119072
Energy: 1.0153878087081474
Energy: 1.0772491549119072
Energy: 1.0153878087087558
Energy: 1.0772491549119072
Energy: 1.0247365307240828
Energy: 1.0199366608194216
Energy: 1.0247365307216483
Energy: 1.0199366608194216
Energy: 1.02473653072104
Energy: 1.019936660818813
Energy: 0.9852165343368516
Energy: 1.0295880888602558
Energy: 0.9852165343368516
Energy: 1.0295880888602558
Energy: 0.9852165343362431
Energy: 1.0295880888596474
Energy: 1.0154016678417106
Energy: 0.9812390553843103
Energy: 1.0154016678435362
Energy: 0.9812390553837018
Energy: 1.0154016678417106
Energy: 0.9812390553837018
Energy: 1.038586791709618
Energy: 1.0067942553809335
Energy: 1.038586791709618
Energy: 1.0067942553803249
Energy: 1.038586791708401
Energy: 1.006794255379716
Energy: 1.0649343089572643
Energy: 1.013933178767943
Energy: 1.0649343089572643
Energy: 1.0139331787685515
Energy: 1.0649343089566556
Energy: 1.0139331787685515
Energy: 1.015338628984136
Energy: 1.043220895206533
Energy: 1.0153386289847446
Energy: 1.0432208952071413
Energy: 1.015338628981093
Energy: 1.0432208952071413
Energy: 1.0435079070403774
Energy: 1.0256773851005858
Energy: 1.0435079070403774
Energy: 1.0256773851011944
Energy: 1.0435079070409856
Energy: 1.0256773851011944
Energy: 1.0192755709545207
Energy: 1.0164997399622613
Energy: 1.0192755709545207
Energy: 1.0164997399634783
Energy: 1.0192755709551293
Energy: 1.016499739964087
Energy: 1.0164994503951124
Energy: 1.002364344222132
Energy: 1.0164994503951124
Energy: 1.002364344222132
Energy: 1.0164994503957208
Energy: 1.002364344222132
Energy: 1.0218940736801227
Energy: 1.0371074203991069
Energy: 1.0218940736795141
Energy: 1.0371074203984982
Energy: 1.0218940736801227
Energy: 1.0371074203984982
Energy: 1.067047978520591
Energy: 1.0284169909477179
Energy: 1.067047961003376
Energy: 1.0284169909471095
Energy: 1.067047920328999
Energy: 1.0284169909477179
Energy: 1.0229934170946746
Energy: 1.0153763293084883
Energy: 1.0229934170946746
Energy: 1.0153763293090967
Energy: 1.0229934170940662
Energy: 1.0153763293097053
Energy: 1.0234444881455782
Energy: 1.0708887996862608
Energy: 1.0234444881455782
Energy: 1.0708887996856524
Energy: 1.023444488146795
Energy: 1.0708887996856524
Energy: 0.9513312591279135
Energy: 1.0134440160258391
Energy: 0.951331259128522
Energy: 1.0134440160258391
Energy: 0.9513312591273049
Energy: 1.0134440160252303
Energy: 1.0068206367674646
Energy: 1.018635434003755
Energy: 1.0068206367674646
Energy: 1.0186354340019292
Energy: 1.0068206367674646
Energy: 1.0186354340025379
Energy: 1.020545404076969
Energy: 1.0056436695347464
Energy: 1.020545404076969
Energy: 1.005643669534138
Energy: 1.0205454040763604
Energy: 1.0056436695317037
Energy: 0.9793884431721445
Energy: 1.0278096871636255
Energy: 0.9793884431709274
Energy: 1.0278096871636255
Energy: 0.979388443171536
Energy: 1.0278096871636255
Energy: 1.0363039217057741
Energy: 1.016375538205886
Energy: 1.0363039217051653
Energy: 1.016375538205886
Energy: 1.0363039217057741
Energy: 1.0163755382064945

minimum gb energy = 0.44358582463591517 eV
minimum distance =  2.31419921355076 Angstroms
sigma value = 101


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

Energy: 1.091616537352119
Energy: 0.9401749722567256
Energy: 1.0916165373440945
Energy: 0.9401749722572604
Energy: 1.091616537352119
Energy: 0.9401749722567256
Energy: 0.9930708244780594
Energy: 0.9985314069462201
Energy: 0.9930708244732449
Energy: 0.998531406947825
Energy: 0.99307082447164
Energy: 0.998531406947825
Energy: 0.985282499590161
Energy: 1.0027197493398703
Energy: 0.985282499590161
Energy: 1.0027197493393354
Energy: 0.985282499590696
Energy: 1.0027197493388005
Energy: 0.9933984264367437
Energy: 0.9928164233415662
Energy: 0.9933984264367437
Energy: 0.992816423341031
Energy: 0.9933984264367437
Energy: 0.992816423341031
Energy: 0.9958938653831149
Energy: 0.9702573220463673
Energy: 0.9958938653841849
Energy: 0.9702573220463673
Energy: 0.995893865382045
Energy: 0.9702573220458324
Energy: 0.9278289231714784
Energy: 1.0010244330797957
Energy: 0.9278289231709435
Energy: 1.001024433077656
Energy: 0.9278289231704083
Energy: 1.001024433078726
Energy: 0.9965859673905416
Energy: 1.0018938405506579
Energy: 0.9965859673916116
Energy: 1.0018938405501228
Energy: 0.9965859673921466
Energy: 1.001893840549053
Energy: 0.9993390273587179
Energy: 1.0055657472205264
Energy: 0.9993390273603228
Energy: 1.0055657472199915
Energy: 0.999339027359253
Energy: 1.0055657472199915
Energy: 0.9288995803171793
Energy: 0.999340094398816
Energy: 0.9288995803166444
Energy: 0.9993400943982812
Energy: 0.9288995803166444
Energy: 0.9993400943977462
Energy: 0.9954912694940923
Energy: 0.9941819299716481
Energy: 0.9954912695010465
Energy: 0.9941819299732528
Energy: 0.9954912694940923
Energy: 0.9941819299716481
Energy: 0.9985463739484397
Energy: 1.1705367596608176
Energy: 0.9985463739495095
Energy: 1.1705367596624223
Energy: 0.9985463739500444
Energy: 1.1705367596629572
Energy: 0.9879717994242306
Energy: 0.9984150307958455
Energy: 0.9879717994242306
Energy: 0.9984150307963804
Energy: 0.9879717994247657
Energy: 0.9984150307958455
Energy: 0.9184728079558058
Energy: 1.0002901918843963
Energy: 0.9184728079552708
Energy: 1.0002901918843963
Energy: 0.9184728079552708
Energy: 1.0002901918843963
Energy: 0.9988345678902493
Energy: 1.0114114842922517
Energy: 0.9988345678886443
Energy: 1.0114114842927868
Energy: 0.9988345678875745
Energy: 1.0114114842922517
Energy: 0.9917636331888313
Energy: 0.9679905650915229
Energy: 0.9917636331882963
Energy: 0.9679905650920578
Energy: 0.9917636331872265
Energy: 0.9679905650909878
Energy: 0.985732149841198
Energy: 1.0145718375819768
Energy: 0.9857321498422678
Energy: 1.0145718375819768
Energy: 0.9857321498428027
Energy: 1.0145718375819768
Energy: 0.9931218684275231
Energy: 1.01037550735482
Energy: 0.9931218684264533
Energy: 1.0103755073553549
Energy: 0.9931218684264533
Energy: 1.010375507354285
Energy: 0.9985049832044559
Energy: 0.9170407202095086
Energy: 0.998504983203921
Energy: 0.9170407202095086
Energy: 0.998504983203921
Energy: 0.9170407202095086
Energy: 0.9304290038253127
Energy: 0.9998714458039202
Energy: 0.9304290038263825
Energy: 0.9998714458023152
Energy: 0.9304290038263825
Energy: 0.9998714458039202
Energy: 1.002742480348604
Energy: 1.0063764450504777
Energy: 1.0027424803518137
Energy: 1.0063764450494082
Energy: 1.0027424803491392
Energy: 1.0063764450526178
Energy: 1.0077988207966921
Energy: 1.1023628942138954
Energy: 1.007798820796157
Energy: 1.1023628942128254
Energy: 1.0077988207956223
Energy: 1.1023628942133603
Energy: 0.9651177889686543
Energy: 0.9976952600318717
Energy: 0.9651177889691892
Energy: 0.9976952600324068
Energy: 0.9651177889691892
Energy: 0.9976952600329415
Energy: 0.9922158235433267
Energy: 1.0004924628537228
Energy: 0.9922158235433267
Energy: 1.0004924628537228
Energy: 0.9922158235433267
Energy: 1.0004924628547927
Energy: 0.9936378554371577
Energy: 1.14983805020756
Energy: 0.9936378554366228
Energy: 1.1498380502064898
Energy: 0.9936378554371577
Energy: 1.14983805020756
Energy: 1.00406608241468
Energy: 1.008348958182185
Energy: 1.0040660824136103
Energy: 1.0083489581843246
Energy: 1.0040660824141452
Energy: 1.00834895818379
Energy: 0.9196582319508669
Energy: 1.0138782816930259
Energy: 0.919658231951402
Energy: 1.0138782816930259
Energy: 0.9196582319503319
Energy: 1.0138782816924907
Energy: 0.9959464413111965
Energy: 1.0058212102090338
Energy: 0.9959464413111965
Energy: 1.0058212102095692
Energy: 0.9959464413106615
Energy: 1.0058212102079642
Energy: 0.9969510827902158
Energy: 0.9651600584598526
Energy: 0.9969510827896808
Energy: 0.9651600584603877
Energy: 0.9969510827891459
Energy: 0.9651600584603877
Energy: 1.1335127756424854
Energy: 0.9991305572829847
Energy: 1.1335127756424854
Energy: 0.9991305572829847
Energy: 1.1335127756419505
Energy: 0.9991305572829847
Energy: 0.9981141669845733
Energy: 1.0185865480136365
Energy: 0.9981141669835035
Energy: 1.0185865480131013
Energy: 0.9981141669856431
Energy: 1.0185865480141711
Energy: 0.9940103600654474
Energy: 0.9503462418937386
Energy: 0.9940103600670522
Energy: 0.9503462418921339
Energy: 0.9940103600659824
Energy: 0.9503462418926688
Energy: 0.9898234968904207
Energy: 0.9974661594963722
Energy: 0.9898234968989797
Energy: 0.9974661594953023
Energy: 0.9898234968936304
Energy: 0.9974661594958372
Energy: 0.9937728839377312
Energy: 0.9989083618599274
Energy: 0.9937728839377312
Energy: 0.9989083618593926
Energy: 0.9937728839382661
Energy: 0.9989083618599274

minimum gb energy = 0.9170407202095086 eV
minimum distance =  2.323136901495 Angstroms
sigma value = 33


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

Energy: 0.018592459890593663
Energy: 0.7435362844296776
Energy: 0.018592459890593663
Energy: 0.7435362844292331
Energy: 0.018592459890593663
Energy: 0.7435362844292331
Energy: 0.019059580023135243
Energy: -0.5127381998703482
Energy: 0.01905958002357971
Energy: -0.5127381998699039
Energy: 0.01905958002357971
Energy: -0.5127381998703482
Energy: 0.744128749482954
Energy: -0.5105819605860553
Energy: 0.7440258915287744
Energy: -0.5105819605860553
Energy: 0.7440279003080427
Energy: -0.5105819605856109
Energy: 0.01905958002357971
Energy: -0.5127381998699039
Energy: 0.01905958002357971
Energy: -0.5127381998694593
Energy: 0.01905958002357971
Energy: -0.5127381998703482

minimum gb energy = -0.5127381998703482 eV
minimum distance =  2.46747347344488 Angstroms
sigma value = 1