Model name: model_name=SNAP_LiHuChen_2018_Ni__MO_913991514986_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.520425826311112
cohesive_energy=2.4459192092499484
mass=58.6934
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: -3.33480144358195 eV

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

Energy: 0.009999560116177558
Energy: 1.252231586152432
Energy: 0.009999560116177558
Energy: 1.2522315861527626
Energy: 0.009999560116177558
Energy: 1.252231586152432
Energy: 1.252231586152432
Energy: 0.010149157863889266
Energy: 1.252231586152432
Energy: 0.010149157863889266
Energy: 1.2522315861527626
Energy: 0.010149157863889266
Energy: 0.009999560116177558
Energy: 1.2522315861527626
Energy: 0.009999560116177558
Energy: 1.2522315861527626
Energy: 0.009999560116177558
Energy: 1.252231586152432
Energy: 1.252231586152432
Energy: 0.010149157863889266
Energy: 1.252231586152432
Energy: 0.010149157863889266
Energy: 1.2522315861527626
Energy: 0.010149157863889266
Energy: 0.009999560116177558
Energy: 1.2522315861527626
Energy: 0.009999560116177558
Energy: 1.252231586152432
Energy: 0.009999560116177558
Energy: 1.252231586152432
Energy: 1.252231586152432
Energy: 0.010149157863889266
Energy: 1.252231586152432
Energy: 0.010149157863889266
Energy: 1.2522315861527626
Energy: 0.010149157863889266

minimum gb energy = 0.009999560116177558 eV
minimum distance =  2.48775549611833 Angstroms
sigma value = 1


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

Energy: 1.3716185689663827
Energy: 1.2984044562752444
Energy: 1.3716185689671787
Energy: 1.2984044562752444
Energy: 1.3716185689671787
Energy: 1.2984044562752444
Energy: 1.4489859663486708
Energy: 1.2637016995344932
Energy: 1.4489859663486708
Energy: 1.2637016995344932
Energy: 1.4489859663486708
Energy: 1.2637016995344932
Energy: 1.2997212613813438
Energy: 1.3616009603751764
Energy: 1.2997212613813438
Energy: 1.3616009603751764
Energy: 1.299721261380548
Energy: 1.3616009603751764
Energy: 1.4476157015762745
Energy: 1.3200304068495057
Energy: 1.4476157015762745
Energy: 1.3200304068495057
Energy: 1.4476157015762745
Energy: 1.3200304068495057
Energy: 1.2947634945944366
Energy: 1.38061080181558
Energy: 1.2947634945944366
Energy: 1.38061080181558
Energy: 1.2947634945944366
Energy: 1.38061080181558
Energy: 1.3464387057071847
Energy: 1.265989716189971
Energy: 1.3464387057071847
Energy: 1.2659897161891747
Energy: 1.3464387057071847
Energy: 1.265989716189971
Energy: 1.2817014398829834
Energy: 1.3292801692275478
Energy: 1.2817014398829834
Energy: 1.3292801692275478
Energy: 1.2817014398829834
Energy: 1.3292801692283438
Energy: 1.2913635779023098
Energy: 1.4440431487582914
Energy: 1.2913635779023098
Energy: 1.4440431487590875
Energy: 1.2913635779023098
Energy: 1.4440431487590875
Energy: 1.3842045115676838
Energy: 1.3360458687735337
Energy: 1.3842045115676838
Energy: 1.3360458687735337
Energy: 1.3842045115676838
Energy: 1.3360458687735337
Energy: 1.2414971891450157
Energy: 1.4110934271949584
Energy: 1.2414971891450157
Energy: 1.4110934271949584
Energy: 1.2414971891450157
Energy: 1.4110934271949584
Energy: 1.3087382568654582
Energy: 1.2619411129481823
Energy: 1.3087382568654582
Energy: 1.2619411129481823
Energy: 1.3087382568654582
Energy: 1.2619411129481823
Energy: 1.2661048159901915
Energy: 1.3024073889122638
Energy: 1.2661048159901915
Energy: 1.3024073889122638
Energy: 1.2661048159901915
Energy: 1.3024073889114678
Energy: 1.472578359914603
Energy: 1.2417126738049327
Energy: 1.472578359914603
Energy: 1.2417126738049327
Energy: 1.472578359914603
Energy: 1.2417126738049327
Energy: 1.2933497839946548
Energy: 1.2860725864887335
Energy: 1.2933497839946548
Energy: 1.2860725864887335
Energy: 1.2933497839946548
Energy: 1.2860725864887335
Energy: 1.514665233754847
Energy: 1.252412470230144
Energy: 1.514665233754847
Energy: 1.252412470230144
Energy: 1.514665233754847
Energy: 1.252412470230144
Energy: 1.5145006362833349
Energy: 1.3800062934417112
Energy: 1.5145006362833349
Energy: 1.3800062934417112
Energy: 1.5145006362833349
Energy: 1.3800062934417112
Energy: 1.3006722286705779
Energy: 1.3572715031046492
Energy: 1.3006722286705779
Energy: 1.3572715031046492
Energy: 1.3006722286705779
Energy: 1.3572715031046492
Energy: 1.3008351860025373
Energy: 1.3108082790958049
Energy: 1.3008351860025373
Energy: 1.3108082790958049
Energy: 1.3008351860025373
Energy: 1.3108082790950089
Energy: 1.3201007364700124
Energy: 1.2943867850877582
Energy: 1.3201007364700124
Energy: 1.2943867850877582
Energy: 1.3201007364700124
Energy: 1.2943867850877582
Energy: 1.3886992473143982
Energy: 1.268804970526136
Energy: 1.3886992473143982
Energy: 1.26880497052534
Energy: 1.3886992473143982
Energy: 1.26880497052534
Energy: 1.2844323493866845
Energy: 1.4283132533415208
Energy: 1.2844323493866845
Energy: 1.4283132533415208
Energy: 1.2844323493866845
Energy: 1.4283132533399288
Energy: 1.3362487384169874
Energy: 1.3301825790671007
Energy: 1.3362487384169874
Energy: 1.3301825790671007
Energy: 1.3362487384169874
Energy: 1.3301825790671007
Energy: 1.2338862179407115
Energy: 1.4443275211053355
Energy: 1.2338862179407115
Energy: 1.4443275211053355
Energy: 1.2338862179407115
Energy: 1.4443275211053355

minimum gb energy = 1.2338862179407115 eV
minimum distance =  2.19997126404722 Angstroms
sigma value = 33


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

Energy: 1.4412462557933396
Energy: 1.402514298056544
Energy: 1.3127519987576017
Energy: 1.4025142980560912
Energy: 1.4412462557933396
Energy: 1.402514298056544
Energy: 1.1928342750019774
Energy: 1.2968510003087395
Energy: 1.1928343188758233
Energy: 1.2968510003087395
Energy: 1.1928344041756238
Energy: 1.2968510003087395
Energy: 1.3151143849864988
Energy: 0.9210802139927085
Energy: 1.3151143849864988
Energy: 0.9210802139080833
Energy: 1.3151143849869513
Energy: 0.9210802139257206
Energy: 1.4779324976572272
Energy: 0.9291945608416412
Energy: 1.4779324976572272
Energy: 0.9291945608398301
Energy: 1.47793249765768
Energy: 0.9291945608429789
Energy: 1.332696030446545
Energy: 1.0344121655083118
Energy: 1.332696030446545
Energy: 1.034412165473017
Energy: 1.332696030446545
Energy: 1.0344121654698475
Energy: 1.0880054032116857
Energy: 1.2367807984501613
Energy: 1.0880054031501307
Energy: 1.3086975208361367
Energy: 1.0880054030555448
Energy: 1.2367807984506138
Energy: 1.0535235986728302
Energy: 0.9839587357737287
Energy: 1.0535235202437963
Energy: 1.3143901536443776
Energy: 1.053523427465892
Energy: 0.983958736794704
Energy: 1.2173215543095752
Energy: 1.1087060247763596
Energy: 1.2173215543095752
Energy: 1.1087060247600602
Energy: 1.2173215543095752
Energy: 1.1087060246505331
Energy: 0.9863902287581612
Energy: 1.3167215776730647
Energy: 0.9863902289943993
Energy: 1.3167215776730647
Energy: 0.9863902294053208
Energy: 1.3167215776730647
Energy: 1.2837374174365448
Energy: 1.1551940429760668
Energy: 1.2836996162526644
Energy: 1.1551940478673433
Energy: 1.2837374174365448
Energy: 1.1551940487688308
Energy: 1.0845268054479082
Energy: 1.2797376309297035
Energy: 1.0845268054537944
Energy: 1.2797376309297035
Energy: 1.0845268054465502
Energy: 1.2797376309297035
Energy: 1.316192039082758
Energy: 1.1284810279046544
Energy: 1.3161918088158873
Energy: 1.128481027895599
Energy: 1.316192039082758
Energy: 1.1284810279232176
Energy: 0.9461652726004456
Energy: 1.202038210809948
Energy: 0.9461652629423816
Energy: 1.202038210809948
Energy: 0.9461652477784596
Energy: 1.2020382108094954
Energy: 1.319769333113752
Energy: 1.063914541165003
Energy: 1.319769333113752
Energy: 1.0639145409332924
Energy: 1.319769333113752
Energy: 1.0639145408735486
Energy: 1.3761749733883637
Energy: 1.1616529310045438
Energy: 1.3761749733888164
Energy: 1.16165293102356
Energy: 1.3761749733892692
Energy: 1.1616529310276347
Energy: 1.3050749656945126
Energy: 0.9193949595948282
Energy: 1.3050749656945126
Energy: 0.9193949595753801
Energy: 1.3050749656945126
Energy: 0.9193949595713052
Energy: 1.4881401889124644
Energy: 1.3110132378010082
Energy: 1.4881401889124644
Energy: 1.3110132378010082
Energy: 1.4881401889120116
Energy: 1.3110132378010082
Energy: 1.265993208282107
Energy: 1.3087688875994397
Energy: 1.265993208282107
Energy: 1.3089779269872581
Energy: 1.265993208282107
Energy: 1.3087688875994397
Energy: 1.3287588210424293
Energy: 1.2359527741018406
Energy: 1.3287588210424293
Energy: 1.034671432358307
Energy: 1.3287588210424293
Energy: 1.2359527741022933
Energy: 1.4044350311237124
Energy: 1.3142402554214334
Energy: 1.4044350311237124
Energy: 1.3771831757726924
Energy: 1.4044350311237124
Energy: 1.3142402554214334
Energy: 1.2133768909778504
Energy: 1.0847795146112649
Energy: 1.2133768909783031
Energy: 1.084779520437986
Energy: 1.2133768909778504
Energy: 1.0847795217363798
Energy: 0.9189996089549979
Energy: 1.3163236052334333
Energy: 0.9189996089545451
Energy: 1.3163236052334333
Energy: 0.9189996089554506
Energy: 1.3163236052338863
Energy: 1.2851886703849902
Energy: 1.7271463755951344
Energy: 1.2851866509986678
Energy: 1.7271463755951344
Energy: 1.2851886703849902
Energy: 1.7271463755951344
Energy: 1.1025195749794607
Energy: 1.35934958658332
Energy: 1.1025195749794607
Energy: 1.35934958658332
Energy: 1.1025195749758385
Energy: 1.35934958658332
Energy: 1.3151628695640938
Energy: 1.2285125384338156
Energy: 1.3146909520002867
Energy: 1.2285125384338156
Energy: 1.3151628695640938
Energy: 1.2285125384338156
Energy: 1.113684678786759
Energy: 1.410894845365792
Energy: 1.3148570751555588
Energy: 1.4108948453653392
Energy: 1.1136846771611626
Energy: 1.4108948453653392
Energy: 1.072411256907798
Energy: 0.9131327699005152
Energy: 0.9870936803645943
Energy: 0.9131327692284537
Energy: 1.0724112838432296
Energy: 0.9131327690374709
Energy: 1.3143911838190319
Energy: 0.9637417847406492
Energy: 1.3143911838190319
Energy: 0.9637418002159263
Energy: 1.3143911838190319
Energy: 0.9637418079153272
Energy: 1.0546910018623306
Energy: 1.281297438714766
Energy: 1.0546909848737007
Energy: 1.281297438714766
Energy: 1.0546909547807368
Energy: 1.281297438714766
Energy: 1.2864755048925103
Energy: 1.0505032732712736
Energy: 1.2864755048929633
Energy: 1.050503273270368
Energy: 1.2864755048929633
Energy: 1.0505032732699153
Energy: 1.3009362182308746
Energy: 1.3168217241871236
Energy: 1.3009362181412485
Energy: 1.3167950074598866
Energy: 1.3009362179833173
Energy: 1.3168217241871236
Energy: 1.2737085283482257
Energy: 1.0232594204279952
Energy: 1.2737085283482257
Energy: 0.9190167081592574
Energy: 1.2737085283482257
Energy: 1.0232594197441827
Energy: 1.4049237228344824
Energy: 1.3773197799174368
Energy: 1.4049237228340299
Energy: 1.3142492884867205
Energy: 1.4049237228340299
Energy: 1.3773197799174368
Energy: 1.2877892856203297
Energy: 1.3760206046707868
Energy: 1.2877892856203297
Energy: 1.3760206046707868
Energy: 1.2877892856203297
Energy: 1.3760206046707868
Energy: 0.918628100113336
Energy: 1.2152830874285616
Energy: 0.9186281001137888
Energy: 1.2152830874276561
Energy: 0.9186281001146942
Energy: 1.215283087428109
Energy: 0.9297155704163002
Energy: 1.4813228724838416
Energy: 0.929715570437127
Energy: 1.4813228724838416
Energy: 0.9297155704660831
Energy: 1.4813228724838416
Energy: 1.26635998394133
Energy: 1.265137503564025
Energy: 1.3063286893441195
Energy: 1.2651375035649308
Energy: 1.2663599839408772
Energy: 1.2651375035644778
Energy: 1.08877215915163
Energy: 1.330563415665806
Energy: 1.088772159141669
Energy: 1.330563415665806
Energy: 1.0887721591900938
Energy: 1.330563415665806
Energy: 1.3196737960649922
Energy: 1.4101895298077896
Energy: 1.3196737960649922
Energy: 1.4101895298077896
Energy: 1.3196737960649922
Energy: 1.4101895298077896
Energy: 1.0516319645693557
Energy: 1.2144229943911464
Energy: 1.051631964408708
Energy: 1.2144229943911464
Energy: 1.0516319638538703
Energy: 1.2144229943911464
Energy: 1.3165217653809724
Energy: 1.0164964061452977
Energy: 1.3165217653809724
Energy: 1.016496406131715
Energy: 1.3165217653809724
Energy: 1.0164964061217747

minimum gb energy = 0.9131327690374709 eV
minimum distance =  2.31059864562552 Angstroms
sigma value = 51


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

Energy: 1.3952550765839764
Energy: 1.3762144266747287
Energy: 1.3952550765839764
Energy: 1.3762144266747287
Energy: 1.3952550765839764
Energy: 1.3762144266747287
Energy: 1.453628036634268
Energy: 1.3074342926850804
Energy: 1.453628036634268
Energy: 1.3074342926850804
Energy: 1.453628036634268
Energy: 1.3074342926850804
Energy: 1.2923201755902152
Energy: 1.3444606237492343
Energy: 1.2923201755902152
Energy: 1.3444606237492343
Energy: 1.2923201755902152
Energy: 1.3444606237492343
Energy: 1.3298377169273883
Energy: 1.2687083441652647
Energy: 1.3298377169273883
Energy: 1.2687083441652647
Energy: 1.3298377169273883
Energy: 1.2687083441652647
Energy: 1.3760745088992743
Energy: 1.3244941438184403
Energy: 1.3760745088992743
Energy: 1.3244941438184403
Energy: 1.3760745089002995
Energy: 1.3244941438184403
Energy: 1.389880527082709
Energy: 1.3238057161963837
Energy: 1.389880527082709
Energy: 1.3238057161963837
Energy: 1.389880527082709
Energy: 1.3238057161963837
Energy: 1.3029310798803404
Energy: 1.3238251279207658
Energy: 1.3029310798813896
Energy: 1.3238251279207658
Energy: 1.3029310798803404
Energy: 1.3238251279207658
Energy: 1.268032838654202
Energy: 1.3250083326569948
Energy: 1.268032838654202
Energy: 1.3250083326569948
Energy: 1.2680328386552508
Energy: 1.3250083326569948
Energy: 1.5773382009890888
Energy: 1.265532458302956
Energy: 1.5773382009890888
Energy: 1.265532458302956
Energy: 1.5773382009890888
Energy: 1.265532458302956
Energy: 1.3103283407170863
Energy: 1.3881904627638701
Energy: 1.3103283407170863
Energy: 1.3881904627628212
Energy: 1.3103283407170863
Energy: 1.3881904627628212
Energy: 1.5205820119420979
Energy: 1.2462786283855745
Energy: 1.5205820119420979
Energy: 1.2462786283855745
Energy: 1.5205820119420979
Energy: 1.2462786283855745
Energy: 1.3978970222680318
Energy: 1.3779531822793467
Energy: 1.3978970222680318
Energy: 1.3779531822793467
Energy: 1.3978970222680318
Energy: 1.3779531822793467
Energy: 1.5254606781621682
Energy: 1.312912576479659
Energy: 1.5254606781621682
Energy: 1.312912576479659
Energy: 1.5254606781621682
Energy: 1.312912576479659
Energy: 1.284667466445541
Energy: 1.3127140654859952
Energy: 1.284667466445541
Energy: 1.3127140654859952
Energy: 1.284667466445541
Energy: 1.3127140654859952
Energy: 1.3663085808874091
Energy: 1.3700433760897681
Energy: 1.3663085808874091
Energy: 1.3700433760897681
Energy: 1.3663085808874091
Energy: 1.3700433760897681
Energy: 1.3753891419380606
Energy: 1.3239138527612229
Energy: 1.3753891419380606
Energy: 1.3239138527612229
Energy: 1.3753891419380606
Energy: 1.3239138527612229
Energy: 1.3888465487921386
Energy: 1.4107450571223055
Energy: 1.3888465487921386
Energy: 1.4107450571223055
Energy: 1.3888465487921386
Energy: 1.4107450571223055
Energy: 1.3083413039404164
Energy: 1.3252894570616847
Energy: 1.3083413039404164
Energy: 1.3252894570616847
Energy: 1.3083413039404164
Energy: 1.3252894570616847

minimum gb energy = 1.2462786283855745 eV
minimum distance =  2.19796024285329 Angstroms
sigma value = 19


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

Energy: 1.2258150084653114
Energy: 1.1959552122202406
Energy: 1.2258150084653114
Energy: 1.1959552122202406
Energy: 1.2258150084653114
Energy: 1.1959552122202406
Energy: 1.293844097318161
Energy: 1.3734783635665269
Energy: 1.2938440973175387
Energy: 1.3734783635665269
Energy: 1.2938440973175387
Energy: 1.3734783635665269
Energy: 1.1233118398124595
Energy: 1.3720262929861007
Energy: 1.1233118398124595
Energy: 1.3720262929861007
Energy: 1.1233118398124595
Energy: 1.3720262929861007
Energy: 1.273452244371256
Energy: 1.123328024380015
Energy: 1.273452244371256
Energy: 1.123328024380015
Energy: 1.273452244371256
Energy: 1.123328024380015
Energy: 1.1782024438351457
Energy: 1.2235116354466062
Energy: 1.1782024438351457
Energy: 1.2235116354466062
Energy: 1.1782024438351457
Energy: 1.2235116354466062
Energy: 1.1781102755325505
Energy: 1.2235658049048739
Energy: 1.1781102755319282
Energy: 1.2235658049042517
Energy: 1.1781102755325505
Energy: 1.2235658049048739
Energy: 1.2734329522690382
Energy: 1.1233193798234897
Energy: 1.2734329522690382
Energy: 1.1233193798234897
Energy: 1.2734329522690382
Energy: 1.1233193798234897
Energy: 1.123309507746005
Energy: 1.3720142333805472
Energy: 1.123309507746005
Energy: 1.3720142333805472
Energy: 1.123309507746005
Energy: 1.3720142333805472
Energy: 1.2936876330791027
Energy: 1.3734012174470933
Energy: 1.2936876330791027
Energy: 1.3734012174470933
Energy: 1.2936876330791027
Energy: 1.3734012174470933
Energy: 1.2258150084653114
Energy: 1.1959552122202406
Energy: 1.2258150084653114
Energy: 1.1959552122202406
Energy: 1.2258150084653114
Energy: 1.1959552122202406
Energy: 1.2938440973175387
Energy: 1.3734783635665269
Energy: 1.2938440973175387
Energy: 1.3734783635665269
Energy: 1.2938440973175387
Energy: 1.3734783635665269
Energy: 1.1233118398124595
Energy: 1.3720262929861007
Energy: 1.1233118398124595
Energy: 1.3720262929861007
Energy: 1.1233118398124595
Energy: 1.3720262929861007
Energy: 1.273452244371256
Energy: 1.123328024380015
Energy: 1.273452244371256
Energy: 1.123328024380015
Energy: 1.273452244371256
Energy: 1.123328024380015
Energy: 1.1782024438351457
Energy: 1.2235116354466062
Energy: 1.1782024438351457
Energy: 1.2235116354466062
Energy: 1.1782024438351457
Energy: 1.2235116354466062
Energy: 1.1781102755319282
Energy: 1.2235658049042517
Energy: 1.1781102755319282
Energy: 1.2235658049042517
Energy: 1.1781102755319282
Energy: 1.2235658049042517
Energy: 1.2734329522690382
Energy: 1.1233193798234897
Energy: 1.2734329522696601
Energy: 1.1233193798234897
Energy: 1.2734329522684158
Energy: 1.1233193798234897
Energy: 1.123309507746005
Energy: 1.3720142333805472
Energy: 1.123309507746005
Energy: 1.3720142333805472
Energy: 1.123309507746005
Energy: 1.3720142333805472
Energy: 1.2936876330791027
Energy: 1.3734012174470933
Energy: 1.2936876330791027
Energy: 1.3734012174470933
Energy: 1.2936876330791027
Energy: 1.3734012174470933
Energy: 1.2258150084653114
Energy: 1.1959552122202406
Energy: 1.2258150084653114
Energy: 1.1959552122202406
Energy: 1.2258150084653114
Energy: 1.1959552122202406
Energy: 1.2938440973175387
Energy: 1.3734783635665269
Energy: 1.2938440973175387
Energy: 1.3734783635665269
Energy: 1.293844097318161
Energy: 1.3734783635665269
Energy: 1.1233118398124595
Energy: 1.3720262929861007
Energy: 1.1233118398124595
Energy: 1.3720262929861007
Energy: 1.1233118398124595
Energy: 1.3720262929861007
Energy: 1.273452244371256
Energy: 1.123328024380015
Energy: 1.273452244371256
Energy: 1.123328024380015
Energy: 1.273452244371256
Energy: 1.123328024380015
Energy: 1.1782024438351457
Energy: 1.2235116354466062
Energy: 1.1782024438351457
Energy: 1.2235116354466062
Energy: 1.1782024438351457
Energy: 1.2235116354466062
Energy: 1.1781102755319282
Energy: 1.2235658049042517
Energy: 1.1781102755319282
Energy: 1.2235658049048739
Energy: 1.1781102755319282
Energy: 1.2235658049048739
Energy: 1.2734329522696601
Energy: 1.1233193798234897
Energy: 1.2734329522690382
Energy: 1.1233193798234897
Energy: 1.2734329522696601
Energy: 1.1233193798234897
Energy: 1.123309507746005
Energy: 1.3720142333805472
Energy: 1.123309507746005
Energy: 1.3720142333805472
Energy: 1.123309507746005
Energy: 1.3720142333805472
Energy: 1.2936876330791027
Energy: 1.3734012174470933
Energy: 1.2936876330784803
Energy: 1.3734012174470933
Energy: 1.2936876330791027
Energy: 1.3734012174470933
Energy: 1.2258150084653114
Energy: 1.1959552122202406
Energy: 1.2258150084653114
Energy: 1.1959552122202406
Energy: 1.2258150084653114
Energy: 1.1959552122202406
Energy: 1.2938440973175387
Energy: 1.3734783635665269
Energy: 1.2938440973175387
Energy: 1.3734783635665269
Energy: 1.2938440973175387
Energy: 1.3734783635665269
Energy: 1.1233118398124595
Energy: 1.3720262929861007
Energy: 1.1233118398124595
Energy: 1.3720262929861007
Energy: 1.1233118398124595
Energy: 1.372026292985478

minimum gb energy = 1.123309507746005 eV
minimum distance =  2.22662516124975 Angstroms
sigma value = 27


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

Energy: 1.2285840420137943
Energy: 1.163760840017748
Energy: 1.2285840420137943
Energy: 1.163760840017748
Energy: 1.2285840420137943
Energy: 1.163760840017748
Energy: 1.2330426556512981
Energy: 1.2042089894703596
Energy: 1.2330426556543463
Energy: 1.2042089894703596
Energy: 1.2330426556558707
Energy: 1.2042089894703596
Energy: 1.1247079979550576
Energy: 1.3191094159641459
Energy: 1.1247079979550576
Energy: 1.3191094159626215
Energy: 1.1247079979550576
Energy: 1.3191094159626215
Energy: 1.2140019518872978
Energy: 1.1278292323823327
Energy: 1.2140019518872978
Energy: 1.1278292323823327
Energy: 1.2140019518827252
Energy: 1.1278292323823327
Energy: 1.214534599900319
Energy: 1.1278734086258488
Energy: 1.214534599900319
Energy: 1.1278734086258488
Energy: 1.214534599900319
Energy: 1.1278734086258488
Energy: 1.2399668549213263
Energy: 1.3260727985703928
Energy: 1.2399668549213263
Energy: 1.3260727985703928
Energy: 1.2399668549213263
Energy: 1.3260727985703928
Energy: 1.2134674547701343
Energy: 1.1999608760394946
Energy: 1.2134674547701343
Energy: 1.1999608760394946
Energy: 1.2134674547701343
Energy: 1.1999608760394946
Energy: 1.22465927552565
Energy: 1.1675880984910145
Energy: 1.22465927552565
Energy: 1.1675880984910145
Energy: 1.22465927552565
Energy: 1.1675880984910145
Energy: 1.343694570522539
Energy: 1.1227987726156479
Energy: 1.343694570522539
Energy: 1.122798769658454
Energy: 1.343694570522539
Energy: 1.1227987778520694
Energy: 1.180472208309783
Energy: 1.3277901563437466
Energy: 1.180472208309783
Energy: 1.3277901563437466
Energy: 1.180472208309783
Energy: 1.3277901563437466
Energy: 1.1639272248845258
Energy: 1.128056051626199
Energy: 1.1639272248845258
Energy: 1.128056051626199
Energy: 1.1639272248845258
Energy: 1.128056051626199
Energy: 1.3021146110895345
Energy: 1.2614194694187286
Energy: 1.3021146110895345
Energy: 1.2614194694187286
Energy: 1.3021146110895345
Energy: 1.2614194694187286

minimum gb energy = 1.122798769658454 eV
minimum distance =  2.18805640527456 Angstroms
sigma value = 9


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

Energy: 1.1386469509920851
Energy: 1.0626125482016655
Energy: 1.1386469509920851
Energy: 1.0626125482016655
Energy: 1.1386469509920851
Energy: 1.0626125482016655
Energy: 1.1109767573047789
Energy: 0.9953913026190466
Energy: 1.1109767573047789
Energy: 0.9953913026190466
Energy: 1.1109767573047789
Energy: 0.9953913026190466
Energy: 0.980940167355801
Energy: 1.1017234118429693
Energy: 0.980940167355801
Energy: 1.1017234118429693
Energy: 0.980940167355801
Energy: 1.1017234118429693
Energy: 1.0705080070731554
Energy: 1.0336997978638738
Energy: 1.0705080070731554
Energy: 1.0336997978638738
Energy: 1.0705080070731554
Energy: 1.0336997978638738
Energy: 1.0226281361513465
Energy: 1.004351714442934
Energy: 1.0226281361513465
Energy: 1.004351714442934
Energy: 1.0226281361513465
Energy: 1.004351714442934
Energy: 1.0920005319227364
Energy: 1.0701702765578995
Energy: 1.0920005319227364
Energy: 1.0701702765578995
Energy: 1.0920005319227364
Energy: 1.0701702765578995
Energy: 1.0648624693217488
Energy: 1.09292650982091
Energy: 1.0648624693217488
Energy: 1.09292650982091
Energy: 1.0648624693217488
Energy: 1.09292650982091
Energy: 0.9970046637612073
Energy: 1.0917809585203218
Energy: 0.9970046637612073
Energy: 1.0917809585203218
Energy: 0.9970046637612073
Energy: 1.0917809585203218
Energy: 1.06725363087582
Energy: 1.0049306060346788
Energy: 1.06725363087582
Energy: 1.0049306060346788
Energy: 1.06725363087582
Energy: 1.0049306060346788
Energy: 1.0239780899919628
Energy: 1.190310509583523
Energy: 1.0239780899919628
Energy: 1.1903105095749578
Energy: 1.0239780899919628
Energy: 1.1903105095792401
Energy: 1.0669175084698321
Energy: 1.039368046252515
Energy: 1.0669175084698321
Energy: 1.039368046252515
Energy: 1.0669175084698321
Energy: 1.039368046252515
Energy: 0.9733242755400514
Energy: 1.1048848379253138
Energy: 0.9733242755400514
Energy: 1.1048848379210312
Energy: 0.9733242755400514
Energy: 1.1048848379210312
Energy: 1.1130826493311767
Energy: 1.0360169046364445
Energy: 1.1130826493269332
Energy: 1.0360169046364445
Energy: 1.1130826493269332
Energy: 1.0360169046364445
Energy: 1.135877907328523
Energy: 1.3718202570125948
Energy: 1.135877907328523
Energy: 1.3718202570125948
Energy: 1.135877907328523
Energy: 1.3718202570125948
Energy: 1.0378702507575304
Energy: 1.0574728990473887
Energy: 1.0378702507575304
Energy: 1.0574728990473887
Energy: 1.0378702507575304
Energy: 1.0574728990473887
Energy: 1.0006380589235297
Energy: 1.0665422634519257
Energy: 1.0006380589235297
Energy: 1.0665422634519257
Energy: 1.0006380589235297
Energy: 1.0665422634519257
Energy: 1.3004510608842086
Energy: 1.0345780406407998
Energy: 1.3004510608842086
Energy: 1.0345780406407998
Energy: 1.3004510608842086
Energy: 1.0345780406407998
Energy: 1.055333668655528
Energy: 1.004637115510578
Energy: 1.055333668655528
Energy: 1.004637115510578
Energy: 1.055333668655528
Energy: 1.004637115510578
Energy: 0.9925643561902988
Energy: 1.1427261305391634
Energy: 0.9925643561902988
Energy: 1.142726130547729
Energy: 0.9925643561902988
Energy: 1.1427261305391634
Energy: 1.1888760294411935
Energy: 0.9128801778819907
Energy: 1.1888760294411935
Energy: 0.9128801778819907
Energy: 1.1888760294411935
Energy: 0.9128801778819907
Energy: 0.9927239874268643
Energy: 1.1435183217661107
Energy: 0.9927239874268643
Energy: 1.1435183217618279
Energy: 0.9927239874268643
Energy: 1.1435183217618279
Energy: 1.0565669594241722
Energy: 1.0047511137549212
Energy: 1.0565669594241722
Energy: 1.0047511137549212
Energy: 1.0565669594241722
Energy: 1.0047511137549212
Energy: 1.3000497264686943
Energy: 1.03495049674306
Energy: 1.3000497264686943
Energy: 1.0349504967387773
Energy: 1.3000497264686943
Energy: 1.0349504967387773
Energy: 1.0009361269731687
Energy: 1.1036990331760823
Energy: 1.0009361269731687
Energy: 1.1036990331760823
Energy: 1.0009361269731687
Energy: 1.1036990331760823
Energy: 1.0378373159584757
Energy: 1.057210457275829
Energy: 1.0378373159584757
Energy: 1.057210457275829
Energy: 1.0378373159584757
Energy: 1.057210457275829
Energy: 1.1367489947164104
Energy: 1.066019684707357
Energy: 1.1367489947164104
Energy: 1.066019684707357
Energy: 1.1367489947164104
Energy: 1.066019684707357
Energy: 1.1130275351481327
Energy: 1.0361262790029093
Energy: 1.1130275351481327
Energy: 1.0361262790029093
Energy: 1.1130275351481327
Energy: 1.0361262790029093
Energy: 0.9732553404250147
Energy: 1.077388858572217
Energy: 0.9732553404250147
Energy: 1.077388858572217
Energy: 0.9732553404250147
Energy: 1.077388858572217
Energy: 1.0668991352479966
Energy: 1.0396067858524571
Energy: 1.0668991352479966
Energy: 1.0396067858524571
Energy: 1.0668991352479966
Energy: 1.0396067858524571
Energy: 1.0236436402550382
Energy: 1.0429830691570345
Energy: 1.0236436402550382
Energy: 1.0429830691313775
Energy: 1.0236436402550382
Energy: 1.0429830691270947
Energy: 1.0668453342845807
Energy: 1.0050438787162126
Energy: 1.0668453342845807
Energy: 1.0050438787162126
Energy: 1.0668453342845807
Energy: 1.0050438787162126
Energy: 0.9966441036157343
Energy: 1.0915228224490716
Energy: 0.9966441036157343
Energy: 1.0915228224490716
Energy: 0.9966441036157343
Energy: 1.0915228224490716
Energy: 1.0648973350158897
Energy: 1.0924473007722098
Energy: 1.0648973350158897
Energy: 1.0924473007722098
Energy: 1.0648973350158897
Energy: 1.0924473007722098
Energy: 1.0920518915570534
Energy: 1.0504146065359357
Energy: 1.0920518915570534
Energy: 1.0504146065359357
Energy: 1.0920518915570534
Energy: 1.0504146065359357
Energy: 1.0225094570989364
Energy: 1.0042622024517716
Energy: 1.0225094570989364
Energy: 1.0042622024517716
Energy: 1.0225094570989364
Energy: 1.0042622024517716
Energy: 1.0704737539637201
Energy: 1.0336002329521508
Energy: 1.0704737539637201
Energy: 1.0336002329521508
Energy: 1.0704737539675746
Energy: 1.0336002329521508
Energy: 0.9811606485398628
Energy: 1.101577520567694
Energy: 0.9811606485398628
Energy: 1.101577520567694
Energy: 0.9811606485398628
Energy: 1.101577520567694
Energy: 1.1110476964396816
Energy: 0.9209087007159197
Energy: 1.1110476964353988
Energy: 0.9209087007159197
Energy: 1.1110476964353988
Energy: 0.9209087007159197
Energy: 1.1386469509920851
Energy: 1.0626125482016655
Energy: 1.1386469509920851
Energy: 1.0626125482016655
Energy: 1.1386469509920851
Energy: 1.0626125482016655
Energy: 1.110976757300496
Energy: 0.9953913026190466
Energy: 1.1109767573047789
Energy: 0.9953913026190466
Energy: 1.1109767573047789
Energy: 0.9953913026190466
Energy: 0.980940167355801
Energy: 1.1017234118429693
Energy: 0.980940167355801
Energy: 1.1017234118429693
Energy: 0.980940167355801
Energy: 1.1017234118429693
Energy: 1.0705080070731554
Energy: 1.0336997978638738
Energy: 1.0705080070731554
Energy: 1.0336997978638738
Energy: 1.0705080070731554
Energy: 1.0336997978638738
Energy: 1.0226281361513465
Energy: 1.004351714442934
Energy: 1.0226281361513465
Energy: 1.0043517144386513
Energy: 1.0226281361513465
Energy: 1.004351714442934

minimum gb energy = 0.9128801778819907 eV
minimum distance =  2.30391497776393 Angstroms
sigma value = 57


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

Energy: 0.9846342521069614
Energy: 0.8969102740979619
Energy: 0.4520242927516706
Energy: 0.8969102740979619
Energy: 0.9846342521069614
Energy: 0.8969102740979619
Energy: 1.0845266180197513
Energy: 0.88421236969926
Energy: 1.0845266180197513
Energy: 0.883246325855496
Energy: 1.0845266180197513
Energy: 0.88421236969926
Energy: 0.9736344811611789
Energy: 1.0813439475549742
Energy: 0.9736344811611789
Energy: 0.7649778518828072
Energy: 0.9736344811611789
Energy: 1.0813439475549742
Energy: 0.8980164707660518
Energy: 0.6313055132572982
Energy: 0.8980164707660518
Energy: 0.6311120705819779
Energy: 0.8980164707660518
Energy: 0.6313055132572982
Energy: 0.6324893248561082
Energy: 1.087543801808426
Energy: 0.6324893248561082
Energy: 1.087543801808426
Energy: 0.6324893248561082
Energy: 1.087543801808426
Energy: 0.8107221699307016
Energy: 0.9714505105941533
Energy: 0.4518650309438698
Energy: 0.9714505105941533
Energy: 0.8107221699307016
Energy: 0.9714505105941533
Energy: 0.8107171453044459
Energy: 0.5308486919565072
Energy: 0.4518262037681125
Energy: 0.5308486919565072
Energy: 0.8107171453044459
Energy: 0.5308486919565072
Energy: 1.084492742534745
Energy: 0.6384287618574003
Energy: 1.084492742534745
Energy: 0.6384287618574003
Energy: 1.084492742534745
Energy: 0.6384287618574003
Energy: 0.9002516212093991
Energy: 0.6312614411237499
Energy: 0.9002516212093991
Energy: 0.6312777471103493
Energy: 0.9002516212093991
Energy: 0.6312614411237499
Energy: 0.5324194907789773
Energy: 1.0024199320625953
Energy: 0.5324194907789773
Energy: 1.0024199320625953
Energy: 0.5324194907789773
Energy: 1.0024199320625953
Energy: 0.6327694546106035
Energy: 0.8838857220664709
Energy: 0.6327694546106035
Energy: 0.8838857220664709
Energy: 0.6327694546106035
Energy: 0.8838857220664709
Energy: 0.9846342521069614
Energy: 0.8969102740979619
Energy: 0.4520242927516706
Energy: 0.8969102740979619
Energy: 0.9846342521069614
Energy: 0.8969102740979619
Energy: 1.0845266180197513
Energy: 0.88421236969926
Energy: 1.0845266180197513
Energy: 0.883246325855496
Energy: 1.0845266180197513
Energy: 0.88421236969926
Energy: 0.9736344811602041
Energy: 1.081343947557899
Energy: 0.9736344811602041
Energy: 0.7649778518155617
Energy: 0.9736344811602041
Energy: 1.081343947557899
Energy: 0.8980164707660518
Energy: 0.6313055132572982
Energy: 0.8980164707660518
Energy: 0.6311120705819779
Energy: 0.8980164707660518
Energy: 0.6313055132572982
Energy: 0.6324893248561082
Energy: 1.087543801808426
Energy: 0.6324893248561082
Energy: 1.0875438018094008
Energy: 0.6324893248561082
Energy: 1.0875438018094008
Energy: 0.8107221699307016
Energy: 0.9714505105941533
Energy: 0.4518650309438698
Energy: 0.9714505105941533
Energy: 0.8107221699307016
Energy: 0.9714505105941533
Energy: 0.8107171453044459
Energy: 0.5308486919565072
Energy: 0.45182620376713756
Energy: 0.5308486919565072
Energy: 0.8107171453044459
Energy: 0.5308486919565072
Energy: 1.084492742534745
Energy: 0.6384287618574003
Energy: 1.084492742534745
Energy: 0.6384287618574003
Energy: 1.084492742534745
Energy: 0.6384287618574003

minimum gb energy = 0.45182620376713756 eV
minimum distance =  2.40042990018612 Angstroms
sigma value = 11


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

Energy: 0.8257847075478046
Energy: 0.8122839692381364
Energy: 0.8257847075478046
Energy: 0.8122839692381364
Energy: 0.8257847075478046
Energy: 0.8122839692381364
Energy: 1.2235143805751176
Energy: 0.847042477591205
Energy: 1.2235143805751176
Energy: 0.847042477591205
Energy: 1.2235143805751176
Energy: 0.847042477591205
Energy: 1.0986027034727335
Energy: 1.4295602224136492
Energy: 1.0986027034727335
Energy: 1.4295602224136492
Energy: 1.0986027034727335
Energy: 1.4295602224136492
Energy: 1.1060816121386392
Energy: 0.5203701304383124
Energy: 1.1060816121386392
Energy: 0.5203701304383124
Energy: 1.1060816121386392
Energy: 0.5203701304383124
Energy: 0.9839684797887979
Energy: 0.7240526445344055
Energy: 0.9839684797887979
Energy: 0.7240526445344055
Energy: 0.9839684797887979
Energy: 0.7240526445344055
Energy: 1.0998846488915046
Energy: 0.5503980877883559
Energy: 1.0998846488915046
Energy: 0.5503980877869277
Energy: 1.0998846488915046
Energy: 0.5503980877876418
Energy: 0.6842265081187715
Energy: 0.7255538912353621
Energy: 0.6842265081187715
Energy: 0.7255538912353621
Energy: 0.6842265081180573
Energy: 0.7255538912339339
Energy: 0.9224502250590773
Energy: 0.4429196298295414
Energy: 0.9224502250590773
Energy: 0.4429196298295414
Energy: 0.9224502250590773
Energy: 0.4429196298295414
Energy: 0.921045333070018
Energy: 0.44117634791465016
Energy: 0.921045333070018
Energy: 0.44117634791465016
Energy: 0.921045333070018
Energy: 0.44117634791465016
Energy: 0.6882087021437355
Energy: 1.3348001173149666
Energy: 0.6882087021437355
Energy: 1.3348001173149666
Energy: 0.6882087021437355
Energy: 1.3348001173149666
Energy: 0.8636320603358412
Energy: 0.7495816423978344
Energy: 0.8636320603358412
Energy: 0.7495816424042616
Energy: 0.8636320603358412
Energy: 0.7495816424092605
Energy: 0.7547415719815113
Energy: 0.46712016941888274
Energy: 0.7547415719815113
Energy: 0.46712016941888274
Energy: 0.7547415719815113
Energy: 0.46712016941888274
Energy: 0.6896061211247275
Energy: 0.6847950224534103
Energy: 0.6896061211247275
Energy: 0.6847950224541245
Energy: 0.6896061211247275
Energy: 0.6847950224541245
Energy: 1.0499731597970439
Energy: 1.3544795786357458
Energy: 1.0499731597970439
Energy: 1.3544795786357458
Energy: 1.0499731597970439
Energy: 1.3544795786357458
Energy: 1.2505195264219737
Energy: 0.6639760042988803
Energy: 1.2505195264219737
Energy: 0.6639760042995944
Energy: 1.2505195264219737
Energy: 0.6639760042995944
Energy: 0.741210399285061
Energy: 0.5962025938381835
Energy: 0.7412103992857751
Energy: 0.5962025927074898
Energy: 0.7412103992864894
Energy: 0.5962025931643377
Energy: 0.8979306810845452
Energy: 0.7441435433320177
Energy: 0.8979306810817212
Energy: 0.7441435433320177
Energy: 0.897930681081007
Energy: 0.7441435433327318
Energy: 1.3872909434804188
Energy: 0.9612030902137659
Energy: 1.3872909434804188
Energy: 0.9612030902101953
Energy: 1.3872909434804188
Energy: 0.9612030902130521
Energy: 1.1029751309102087
Energy: 0.5160220776336267
Energy: 1.1029751309102087
Energy: 0.5160220776336267
Energy: 1.1029751309102087
Energy: 0.5160220776336267
Energy: 0.9854317161523891
Energy: 0.9042907463915009
Energy: 0.9854317161523891
Energy: 0.9042907463915009
Energy: 0.9854317161523891
Energy: 0.9042907463915009
Energy: 0.6962967725067217
Energy: 0.664899546705942
Energy: 0.6962967725067217
Energy: 0.664899546705942
Energy: 0.6962967725067217
Energy: 0.664899546705942
Energy: 0.924304784943511
Energy: 0.7280331280468677
Energy: 0.924304784943511
Energy: 0.7280331280482961
Energy: 0.924304784944225
Energy: 0.7280331280475819
Energy: 1.0315949580715684
Energy: 0.8888882310927712
Energy: 1.0315949580715684
Energy: 0.8888882310934854
Energy: 1.0315949580715684
Energy: 0.8888882310927712
Energy: 0.9167852654523552
Energy: 0.7475291251985289
Energy: 0.9167852654523552
Energy: 0.7475291251985289
Energy: 0.9167852654530693
Energy: 0.7475291251985289
Energy: 0.6957245491137747
Energy: 1.3399096554845165
Energy: 0.6957245491137747
Energy: 1.3399096554845165
Energy: 0.6957245491137747
Energy: 1.3399096554845165
Energy: 1.5917764147798141
Energy: 0.7493944329587621
Energy: 1.5917764147798141
Energy: 0.7493944329566197
Energy: 1.5917764147798141
Energy: 0.7493944329566197

minimum gb energy = 0.44117634791465016 eV
minimum distance =  2.32286965830326 Angstroms
sigma value = 41


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

Energy: 0.9539679579216317
Energy: 0.8462837089439728
Energy: 0.9539679579216317
Energy: 0.8462837089439728
Energy: 0.9539679579216317
Energy: 0.8462837089439728
Energy: 1.129528290669016
Energy: 0.8808770297725917
Energy: 1.129528290669016
Energy: 0.8808770297714661
Energy: 1.129528290669016
Energy: 0.8808770297725917
Energy: 0.9336202685193902
Energy: 0.9420606823746319
Energy: 0.9336202685188274
Energy: 0.9420606823751947
Energy: 0.9336202685193902
Energy: 0.9420606823751947
Energy: 0.6955077872223078
Energy: 0.5602124116387154
Energy: 0.6955077872228705
Energy: 0.5602124118637807
Energy: 0.6955077872223078
Energy: 0.5602124116550381
Energy: 0.8279325956446745
Energy: 0.8860940948654189
Energy: 0.8279325956446745
Energy: 0.8860940948654189
Energy: 0.8279325956446745
Energy: 0.8860940948654189
Energy: 0.8029826278311146
Energy: 0.8966252506542679
Energy: 0.8029826278311146
Energy: 0.8966252506537051
Energy: 0.8029826278305519
Energy: 0.8966252506559566
Energy: 0.6217319636468535
Energy: 1.2581281861075913
Energy: 0.6217319636457277
Energy: 1.2581281861075913
Energy: 0.6217319636462906
Energy: 1.2581281861075913
Energy: 0.6171413307585139
Energy: 0.5593990319612064
Energy: 0.6171413307590767
Energy: 0.5593990319617692
Energy: 0.6171413307596396
Energy: 0.5593990319617692
Energy: 0.821517132539653
Energy: 0.8842763526961702
Energy: 0.821517132539653
Energy: 0.8842763526961702
Energy: 0.821517132539653
Energy: 0.8842763526961702
Energy: 0.7190440504667608
Energy: 1.0594754752574151
Energy: 0.719044050465635
Energy: 1.0594754752574151
Energy: 0.7190440504667608
Energy: 1.0594754752574151
Energy: 0.7848021430245932
Energy: 1.0246129785305524
Energy: 0.7848021430245932
Energy: 1.0246129785305524
Energy: 0.7848021430245932
Energy: 1.024612978531115
Energy: 0.6312360600413438
Energy: 0.8097786714709638
Energy: 0.6312360600413438
Energy: 0.8097786714692753
Energy: 0.6312360600413438
Energy: 0.8097786714709638
Energy: 0.6138268550777111
Energy: 0.5606812445532746
Energy: 0.613826855078274
Energy: 0.5606812445532746
Energy: 0.613826855078274
Energy: 0.5606812445532746
Energy: 0.5959495903353655
Energy: 1.1531011882165572
Energy: 0.5959495903353655
Energy: 1.1531011882176827
Energy: 0.5959495903348028
Energy: 1.1531011882165572
Energy: 1.0040566866265725
Energy: 0.8942704439659377
Energy: 1.0040566866265725
Energy: 0.8942704439636864
Energy: 1.0040566866265725
Energy: 0.8942704439653749
Energy: 0.5988318792734492
Energy: 1.0721003710566321
Energy: 0.5988318792734492
Energy: 1.0721003710566321
Energy: 0.5988318792734492
Energy: 1.0721003710566321
Energy: 0.6448239820011277
Energy: 0.560101972152323
Energy: 0.6448239820011277
Energy: 0.560101972152323
Energy: 0.6448239820016904
Energy: 0.560101972152323
Energy: 0.9319706019828541
Energy: 1.2351274771595193
Energy: 0.9319706019828541
Energy: 1.2351274771595193
Energy: 0.9319706019817285
Energy: 1.2351274771595193
Energy: 0.7155660172700808
Energy: 1.1935642399225916
Energy: 0.7155660172706437
Energy: 1.1935642399225916
Energy: 0.7155660172706437
Energy: 1.1935642399225916
Energy: 0.7225217728261583
Energy: 0.6603287150230891
Energy: 0.7225217728261583
Energy: 0.6603287150247776
Energy: 0.7225217728261583
Energy: 0.6603287150247776
Energy: 0.6017256619441639
Energy: 0.8824695399887384
Energy: 0.6017256619441639
Energy: 0.8824695399881756
Energy: 0.6017256619441639
Energy: 0.8824695399893014
Energy: 0.9332771748841933
Energy: 1.241890230729498
Energy: 0.9332771748836305
Energy: 1.2418902307300603
Energy: 0.9332771748836305
Energy: 1.241890230729498
Energy: 0.6954315985609478
Energy: 0.5585454944359758
Energy: 0.6954315985609478
Energy: 0.5585454944365387
Energy: 0.6954315985620735
Energy: 0.5585454944365387
Energy: 0.598547893885668
Energy: 0.8777566171129978
Energy: 0.598547893885668
Energy: 0.8777566171129978
Energy: 0.598547893885668
Energy: 0.8777566171129978
Energy: 0.5967442234670604
Energy: 1.0873677415791239
Energy: 0.5967442234670604
Energy: 1.0873677415791239
Energy: 0.5967442234670604
Energy: 1.0873677415791239
Energy: 0.6869408894659308
Energy: 1.0204847121580123
Energy: 0.6869408894653679
Energy: 1.0204847121580123
Energy: 0.6869408894653679
Energy: 1.0204847121580123
Energy: 0.6228093775458704
Energy: 0.5584475513132265
Energy: 0.6228093775458704
Energy: 0.5584475513132265
Energy: 0.6228093775458704
Energy: 0.5584475513132265
Energy: 0.81849071183979
Energy: 0.879921763463277
Energy: 0.81849071183979
Energy: 0.879921763463277
Energy: 0.81849071183979
Energy: 0.8799217634638399
Energy: 0.717633640431971
Energy: 0.8951169095882692
Energy: 0.717633640431971
Energy: 0.8951169095922091
Energy: 0.717633640431971
Energy: 0.8951169095865806
Energy: 0.9389603674124661
Energy: 0.9281787827218556
Energy: 0.9389603674119033
Energy: 0.928178782721293
Energy: 0.9389603674119033
Energy: 0.9281787827218556
Energy: 0.6308360903127905
Energy: 0.8115497627988411
Energy: 0.6308360903127905
Energy: 0.811549762799404
Energy: 0.6308360903127905
Energy: 0.8115497627988411
Energy: 0.8156612155202022
Energy: 0.8738740448867814
Energy: 0.8156612155202022
Energy: 0.8738740448862186
Energy: 0.8156612155202022
Energy: 0.8738740448867814
Energy: 0.5974855205945518
Energy: 0.6293049392897361
Energy: 0.597485520593989
Energy: 0.6293049392891732
Energy: 0.5974855205945518
Energy: 0.6293049392897361

minimum gb energy = 0.5584475513132265 eV
minimum distance =  2.33500307254175 Angstroms
sigma value = 33


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

Energy: 0.9735989305604927
Energy: 0.8489924830231851
Energy: 0.9735989305604927
Energy: 0.8489924830231851
Energy: 0.9735989305604927
Energy: 0.8489924830231851
Energy: 0.9231801663673679
Energy: 0.6536219882459061
Energy: 0.9231801663673679
Energy: 0.6536219882459061
Energy: 0.9231801663673679
Energy: 0.6536219882459061
Energy: 0.7907499316491442
Energy: 1.0251687783412102
Energy: 0.7907499316491442
Energy: 1.0251687783412102
Energy: 0.7907499316491442
Energy: 1.0251687783412102
Energy: 0.8113118489661205
Energy: 0.7354604463664146
Energy: 0.8113118489661205
Energy: 0.7354604463664146
Energy: 0.8113118489661205
Energy: 0.7354604463664146
Energy: 0.8996226684110417
Energy: 0.8423084680055535
Energy: 0.8996226684110417
Energy: 0.8423084680055535
Energy: 0.8996226684110417
Energy: 0.8423084680055535
Energy: 1.2360841664681503
Energy: 0.6575133125367536
Energy: 1.2360841664681503
Energy: 0.6575133125407038
Energy: 1.2360841664681503
Energy: 0.6575133125367536
Energy: 0.7996201507534191
Energy: 0.8964004730776362
Energy: 0.7996201507534191
Energy: 0.8964004730776362
Energy: 0.7996201507534191
Energy: 0.8964004730776362
Energy: 0.8066664399101479
Energy: 0.8109400197214587
Energy: 0.8066664399101479
Energy: 0.8109400197214587
Energy: 0.8066664399101479
Energy: 0.8109400197214587
Energy: 0.7299062148602854
Energy: 0.8846375060176903
Energy: 0.7299062148602854
Energy: 0.8846375060137401
Energy: 0.7299062148602854
Energy: 0.8846375060176903
Energy: 1.311360447788487
Energy: 0.6792473338609422
Energy: 1.311360447788487
Energy: 0.6792473338609422
Energy: 1.311360447788487
Energy: 0.6792473338609422
Energy: 0.8684589857217462
Energy: 0.8594356925987431
Energy: 0.8684589857217462
Energy: 0.8594356925987431
Energy: 0.8684589857217462
Energy: 0.8594356925987431
Energy: 0.8145333360491008
Energy: 0.734725600734328
Energy: 0.8145333360648658
Energy: 0.734725600734328
Energy: 0.814533336072766
Energy: 0.734725600734328
Energy: 0.8879669908567501
Energy: 0.6548372337864556
Energy: 0.8879669908567501
Energy: 0.6548372337706551
Energy: 0.8879669908567501
Energy: 0.6548372337825056
Energy: 0.8055087684624564
Energy: 0.8215388361097209
Energy: 0.8055087684624564
Energy: 0.8215388361097209
Energy: 0.8055087684624564
Energy: 0.8215388361097209
Energy: 0.781846850157809
Energy: 0.7908618956184
Energy: 0.781846850157809
Energy: 0.7908618956184
Energy: 0.781846850157809
Energy: 0.7908618956184
Energy: 0.754323721715276
Energy: 1.2325459365323657
Energy: 0.754323721715276
Energy: 1.2325459365323657
Energy: 0.754323721715276
Energy: 1.2325459365323657
Energy: 0.8436640279881743
Energy: 0.6354320519995021
Energy: 0.8436640279842241
Energy: 0.6354320519995021
Energy: 0.8436640279881743
Energy: 0.6354320519995021
Energy: 0.7303326498317106
Energy: 0.8130770464582077
Energy: 0.7303326498317106
Energy: 0.8130770464582077
Energy: 0.7303326498317106
Energy: 0.8130770464582077
Energy: 1.2965146558600311
Energy: 0.7904195659880774
Energy: 1.2965146558600311
Energy: 0.7904195659880774
Energy: 1.2965146558600311
Energy: 0.7904195659880774
Energy: 0.6143298399210064
Energy: 0.7741765389113481
Energy: 0.6143298408962687
Energy: 0.7741765389113481
Energy: 0.6143298406356649
Energy: 0.7741765389073978
Energy: 0.6196165075469935
Energy: 0.851413954741073
Energy: 0.6196165075430434
Energy: 0.851413954741073
Energy: 0.6196165075469935
Energy: 0.851413954741073
Energy: 0.6387284087526882
Energy: 0.9235507993074201
Energy: 0.6387284087526882
Energy: 0.9235507993074201
Energy: 0.6387284087526882
Energy: 0.9235507993034697
Energy: 0.9279389335230294
Energy: 0.5769624521608537
Energy: 0.9279389335230294
Energy: 0.576962452164804
Energy: 0.9279389335230294
Energy: 0.5769624521766187
Energy: 0.6371785811648152
Energy: 0.811172412681033
Energy: 0.6371785811648152
Energy: 0.811172412681033
Energy: 0.637178581160865
Energy: 0.811172412681033
Energy: 0.8412531113445002
Energy: 0.6337520657409419
Energy: 0.8412531113445002
Energy: 0.6337520657409419
Energy: 0.8412531113445002
Energy: 0.6337520657409419
Energy: 0.7505945709790914
Energy: 1.2262383493872437
Energy: 0.7505945709790914
Energy: 1.2262383493872437
Energy: 0.7505945709830416
Energy: 1.2262383493872437
Energy: 0.9241691619267295
Energy: 0.709734189418916
Energy: 0.9241691619267295
Energy: 0.709734189418916
Energy: 0.9241691619267295
Energy: 0.7097341894228661
Energy: 0.8671544769408499
Energy: 0.622456192596321
Energy: 0.8671544769408499
Energy: 0.622456192596321
Energy: 0.8671544769408499
Energy: 0.622456192596321
Energy: 0.6569772311971357
Energy: 0.5854115177375877
Energy: 0.6569772311971357
Energy: 0.5854115197236641
Energy: 0.6569772311971357
Energy: 0.5854115202369355
Energy: 0.2979543627018949
Energy: 1.3036464474033482
Energy: 0.2979543627611475
Energy: 1.3036464474033482
Energy: 0.29795436272954606
Energy: 1.3036464474033482
Energy: 0.8178806948161765
Energy: 0.7941316143707475
Energy: 0.8178806948161765
Energy: 0.7941316143707475
Energy: 0.8178806948161765
Energy: 0.7941316143707475
Energy: 0.7275193273113871
Energy: 0.8339924344132142
Energy: 0.7275193273113871
Energy: 0.8339924344092638
Energy: 0.7275193273113871
Energy: 0.8339924344092638
Energy: 0.6149341472295083
Energy: 0.650087086213169
Energy: 0.6149341472374087
Energy: 0.650087086213169
Energy: 0.6149341472255582
Energy: 0.650087086213169
Energy: 0.8170845090231701
Energy: 0.7998895245525215
Energy: 0.8170845090231701
Energy: 0.7998895245525215
Energy: 0.8170845090231701
Energy: 0.7998895245525215
Energy: 0.8173818962356741
Energy: 0.7998388219549931
Energy: 0.8173818962356741
Energy: 0.7998388219549931
Energy: 0.8173818962356741
Energy: 0.7998388219549931
Energy: 0.6132119267901252
Energy: 0.6496984517360868
Energy: 0.6132119267901252
Energy: 0.6496984517321365
Energy: 0.6132119267703742
Energy: 0.6496984517321365
Energy: 0.7261577704068569
Energy: 0.8348018353339778
Energy: 0.7261577704068569
Energy: 0.8348018353339778
Energy: 0.7261577704068569
Energy: 0.8348018353379282
Energy: 0.8179061305124482
Energy: 0.7939758787329135
Energy: 0.8179061305124482
Energy: 0.7939758787329135
Energy: 0.8179061305124482
Energy: 0.7939758787329135
Energy: 0.6589869032466593
Energy: 1.3033845258966237
Energy: 0.6589869032466593
Energy: 1.3033845258966237
Energy: 0.6589869032466593
Energy: 1.3033845258966237
Energy: 0.6564127222645314
Energy: 0.5839281306506136
Energy: 0.6564127222684816
Energy: 0.5839281306506136
Energy: 0.6564127222645314
Energy: 0.5839281306506136
Energy: 0.8668831948479075
Energy: 0.62026797048722
Energy: 0.8668831948439575
Energy: 0.62026797048722
Energy: 0.8668831948479075
Energy: 0.62026797048722
Energy: 0.9240404015181435
Energy: 0.7098768444537228
Energy: 0.9240404015181435
Energy: 0.7098768444458224
Energy: 0.9240404015181435
Energy: 0.7098768444379221
Energy: 0.75049954221642
Energy: 1.2263267384092187
Energy: 0.75049954221642
Energy: 1.2263267384092187
Energy: 0.75049954221642
Energy: 1.2263267384092187
Energy: 0.8412520169328324
Energy: 0.6328878173236864
Energy: 0.8412520169328324
Energy: 0.6328878173236864
Energy: 0.8412520169288822
Energy: 0.6328878173236864
Energy: 0.6675366308070694
Energy: 0.8099781719058453
Energy: 0.6675366308109837
Energy: 0.8099781719058453
Energy: 0.6675366308070694
Energy: 0.8099781719058453
Energy: 0.9281165776215954
Energy: 0.30658549919388933
Energy: 0.9281165776215954
Energy: 0.30658549918993916
Energy: 0.9281165776215954
Energy: 0.30658549918993916
Energy: 0.6386896857807532
Energy: 0.9238285949811483
Energy: 0.6386896857807532
Energy: 0.9238285949811483
Energy: 0.6386896857807532
Energy: 0.9238285949811483

minimum gb energy = 0.2979543627018949 eV
minimum distance =  2.34578082152726 Angstroms
sigma value = 67


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

Energy: 0.9781995307251681
Energy: 0.9041941167627198
Energy: 0.9781995307251681
Energy: 0.9041941167627198
Energy: 0.9781995307251681
Energy: 0.9041941167627198
Energy: 0.8838724232887758
Energy: 0.7092479111388174
Energy: 0.8838724232887758
Energy: 0.7092479111388174
Energy: 0.8838724232887758
Energy: 0.7092479111388174
Energy: 0.8678422011489143
Energy: 1.040893369405104
Energy: 0.8678422011489143
Energy: 1.040893369405104
Energy: 0.8678422011489143
Energy: 1.040893369405104
Energy: 0.883967278811252
Energy: 0.7090827740217016
Energy: 0.883967278811252
Energy: 0.7090827740217016
Energy: 0.883967278811252
Energy: 0.7090827740217016
Energy: 0.9781995307251681
Energy: 0.9041941167627198
Energy: 0.9781995307251681
Energy: 0.9041941167627198
Energy: 0.9781995307251681
Energy: 0.9041941167627198
Energy: 0.8838724232887758
Energy: 0.7092479111388174
Energy: 0.8838724232887758
Energy: 0.7092479111388174
Energy: 0.8838724232887758
Energy: 0.7092479111388174
Energy: 0.8678422011489143
Energy: 1.040893369405104
Energy: 0.8678422011489143
Energy: 1.040893369405104
Energy: 0.8678422011489143
Energy: 1.040893369405104

minimum gb energy = 0.7090827740217016 eV
minimum distance =  2.35416343105674 Angstroms
sigma value = 3


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

Energy: 1.196603051622677
Energy: 0.9923018803036137
Energy: 1.1618528185964332
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Energy: 0.9084009194368583
Energy: 0.5480907531507574
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Energy: 0.5480907531543501
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Energy: 0.21589152003905293
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Energy: 0.2158915200354603
Energy: 1.1226320768091185
Energy: 0.889348701434504
Energy: 1.1226320768091185
Energy: 0.889348701434504
Energy: 1.1226320768091185
Energy: 0.889348701434504
Energy: 1.0797494836644344
Energy: 1.0985861605766134
Energy: 1.079748510795124
Energy: 1.0985861605766134
Energy: 1.0797494836644344
Energy: 1.0985861605766134
Energy: 0.8993274175169422
Energy: 0.9781174040465079
Energy: 0.8993274175169422
Energy: 0.9781174040465079
Energy: 0.8993274175169422
Energy: 0.9781174040465079
Energy: 0.9383086091125706
Energy: 1.0471090463441346
Energy: 0.9383086091125706
Energy: 1.0471090463441346
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Energy: 1.0471090463441346
Energy: 1.0179070522213598
Energy: 0.9369278112723617
Energy: 1.0179070522213598
Energy: 0.9369278112723617
Energy: 1.0179070522213598
Energy: 0.9369278112723617
Energy: 1.0043669242685076
Energy: 0.9679485981374467
Energy: 1.0044037529789172
Energy: 0.9679485981374467
Energy: 1.0043669242685076
Energy: 0.9679485981374467

minimum gb energy = -0.1997539630731386 eV
minimum distance =  2.32179520543896 Angstroms
sigma value = 81


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

Energy: 1.0616327615470702
Energy: 0.9909383877091285
Energy: 0.9780207223046481
Energy: 0.9909383877091285
Energy: 1.0616327615470702
Energy: 0.9909383877091285
Energy: 0.8986748560702741
Energy: 0.8773497711496336
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Energy: 0.8773497711496336
Energy: 0.9394074985532094
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Energy: 1.0630856600355203
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Energy: 0.9314740063227107
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Energy: 0.8481955729450762
Energy: 0.931058583096782
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Energy: 0.9310585830962889
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Energy: 1.0019578939531746
Energy: 0.8167523775831587
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Energy: 0.8163752965356701
Energy: 0.8352294025765907
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Energy: 0.8352294025770838
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Energy: 1.062661539224994
Energy: 0.8170531296278474
Energy: 1.062661539224994
Energy: 0.8170531296278474
Energy: 1.062661539224994
Energy: 0.8170531296278474
Energy: 0.8098423161122725
Energy: 0.8592827545713856
Energy: 0.8098423161122725
Energy: 0.8592827545713856
Energy: 0.8098423161122725
Energy: 0.8592827545713856
Energy: 0.8167383828038273
Energy: 0.879766686850985
Energy: 0.8167383828038273
Energy: 0.879766686850985
Energy: 0.8167383828038273
Energy: 0.879766686850492
Energy: 0.8165506239697827
Energy: 0.8000904224028158
Energy: 0.8165506239702758
Energy: 0.8000904224028158
Energy: 0.8165506239702758
Energy: 0.8000904224028158
Energy: 1.0792572412592116
Energy: 1.0272458249525525
Energy: 1.0796202754109965
Energy: 1.0272458249535388
Energy: 1.079257241259705
Energy: 1.027245824954032
Energy: 1.1660845205364208
Energy: 1.0690918861025525
Energy: 1.1660845205364208
Energy: 1.0690918861025525
Energy: 1.1660845205364208
Energy: 1.0690918861025525
Energy: 0.8737006674277286
Energy: -0.2910787980933853
Energy: 0.8737006674277286
Energy: -0.2910787977705508
Energy: 0.8737006674277286
Energy: -0.2910788023882008
Energy: 0.8826414891998562
Energy: 0.8163166660052187
Energy: 0.8826414891993631
Energy: 0.8163166660052187
Energy: 0.8826414891998562
Energy: 0.8163166660052187

minimum gb energy = -0.38009275340594934 eV
minimum distance =  2.38255291150778 Angstroms
sigma value = 43


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

Energy: 0.7010055535232037
Energy: 0.8730427190379437
Energy: 0.7010055535232037
Energy: 0.8730427190379437
Energy: 0.7010055535232037
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Energy: 0.8447495395799667
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Energy: 1.188707988768558
Energy: 0.9628185396005409
Energy: 1.019432715962581
Energy: 0.9628185396005409
Energy: 1.019432715962581
Energy: 0.9628185396005409
Energy: 1.019432715962581
Energy: 1.0966666148767232
Energy: 0.6049509444890024
Energy: 1.0966666148779343
Energy: 0.6049509444890024
Energy: 1.0966666148767232
Energy: 0.6049509444890024
Energy: 1.1676527911997385
Energy: 0.9464889351371866
Energy: 1.1676527911997385
Energy: 0.9464889351353696
Energy: 1.1676527911997385
Energy: 0.9464889351371866
Energy: 1.152106131586325
Energy: 0.9128060959673913
Energy: 1.152106131586325
Energy: 0.9128060959673913
Energy: 1.152106131586325
Energy: 0.9128060959673913
Energy: 1.0952399463049194
Energy: 0.6044175511784448
Energy: 1.0952399463049194
Energy: 0.6044175511784448
Energy: 1.0952399463049194
Energy: 0.6044175511784448
Energy: 0.9620448772605983
Energy: 1.025200779128167
Energy: 0.9620448772605983
Energy: 1.025200779128167
Energy: 0.9620448772605983
Energy: 1.025200779128167
Energy: 1.1597521302503333
Energy: 1.0533466668334457
Energy: 1.1597521302503333
Energy: 1.0533466668334457
Energy: 1.1597521302503333
Energy: 1.0533466668334457
Energy: 0.8448368367213908
Energy: 1.045208194103814
Energy: 0.8448368367213908
Energy: 1.045208194103814
Energy: 0.8448368367213908
Energy: 1.0452081941032088
Energy: 0.6131313396131591
Energy: 0.7828013186261505
Energy: 0.6131313396125534
Energy: 0.7828013186279674
Energy: 0.6131313396131591
Energy: 0.7828013186303902
Energy: 0.931892495729185
Energy: 0.9166174893905472
Energy: 0.931892495729185
Energy: 0.9166174893905472
Energy: 0.931892495729185
Energy: 0.9166174893911531
Energy: 1.1604299022168105
Energy: 1.0022190219774718
Energy: 1.1604299022168105
Energy: 1.0022190219768663
Energy: 1.1604299022168105
Energy: 1.0022190219768663
Energy: 0.9809492394568021
Energy: 1.1420750062554315
Energy: 0.9809492394568021
Energy: 1.1420750062554315
Energy: 0.9809492394568021
Energy: 1.1420750062554315
Energy: 1.0280226755254742
Energy: 0.8523650139766372
Energy: 1.0280226755248687
Energy: 0.8523650139766372
Energy: 1.0280226755254742
Energy: 0.8523650139766372
Energy: 0.9264579922577105
Energy: 1.0691163155878076
Energy: 0.926457992258316
Energy: 1.0691163155878076
Energy: 0.926457992258316
Energy: 1.0691163155878076
Energy: 1.0064207176815527
Energy: 1.0452973151227813
Energy: 1.0064207176821582
Energy: 1.0452973151221756
Energy: 1.0064207176821582
Energy: 1.0452973151227813
Energy: 0.9266264101173641
Energy: 0.9610121014550613
Energy: 0.9266264101173641
Energy: 0.9610121014550613
Energy: 0.9266264101173641
Energy: 0.9610121014550613

minimum gb energy = 0.5806038391584374 eV
minimum distance =  2.33266226541121 Angstroms
sigma value = 57


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

Energy: 1.0493318627674255
Energy: 0.8818020918374998
Energy: 1.0493318627674255
Energy: 0.8818020918374998
Energy: 1.0493318627674255
Energy: 0.8818020918374998
Energy: 0.9655460392917729
Energy: 0.8281315399515776
Energy: 0.9655460392917729
Energy: 0.8281315399515776
Energy: 0.9655460392917729
Energy: 0.8281315399515776
Energy: 0.9775605353975065
Energy: 1.1374213721328672
Energy: 0.9775605353975065
Energy: 1.1374213721320827
Energy: 0.9775605353975065
Energy: 1.1374213721320827
Energy: 0.9579182978898317
Energy: 1.0209548315584578
Energy: 0.9579182978906159
Energy: 1.0209548315584578
Energy: 0.9579182978914002
Energy: 1.0209548315592418
Energy: 1.0016911109592508
Energy: 0.8992717540676476
Energy: 1.001691110960035
Energy: 0.8992717540668634
Energy: 1.0016911109592508
Energy: 0.8992717540668634
Energy: 0.9774020429976176
Energy: 0.9623392544970957
Energy: 0.9774020429976176
Energy: 0.9623392544963116
Energy: 0.9774020429976176
Energy: 0.9623392544963116
Energy: 1.008110280984801
Energy: 1.0692153058400549
Energy: 1.008110280985585
Energy: 1.0692153058400549
Energy: 1.008110280984801
Energy: 1.0692153058400549
Energy: 0.9563540203478746
Energy: 0.8348155950180568
Energy: 0.9563540203478746
Energy: 0.8348155950172725
Energy: 0.9563540203478746
Energy: 0.8348155950180568
Energy: 0.9627890362881065
Energy: 0.8301939740539789
Energy: 0.9627890362881065
Energy: 0.8301939740547628
Energy: 0.9627890362881065
Energy: 0.8301939740539789
Energy: 0.8282355829974013
Energy: 0.9624980540855614
Energy: 0.8282355829974013
Energy: 0.9624980540855614
Energy: 0.8282355829974013
Energy: 0.9624980540855614
Energy: 1.0079081795489768
Energy: 1.021793052706987
Energy: 1.0079081795489768
Energy: 1.021793052706203
Energy: 1.0079081795489768
Energy: 1.021793052706203
Energy: 0.8840677543439807
Energy: 0.9184604502495659
Energy: 0.8840677543439807
Energy: 0.9184604502495659
Energy: 0.8840677543439807
Energy: 0.9184604502495659
Energy: 1.0004518257442527
Energy: 0.8306336343184685
Energy: 1.0004518257442527
Energy: 0.8306336343184685
Energy: 1.0004518257442527
Energy: 0.8306336343184685
Energy: 1.0038493042866292
Energy: 0.8407988338932162
Energy: 1.0038493042905503
Energy: 0.8407988338932162
Energy: 1.0038493042881975
Energy: 0.8407988338940005
Energy: 0.8708285899594661
Energy: 0.8353275831235997
Energy: 0.8708285904917094
Energy: 0.8353275831235997
Energy: 0.8708285902471445
Energy: 0.8353275831235997
Energy: 0.6079438878829521
Energy: 0.8512940648614646
Energy: 0.6079438878790311
Energy: 0.8512940648606805
Energy: 0.6079438878829521
Energy: 0.8512940648614646
Energy: 0.820519101027674
Energy: 0.966334585427288
Energy: 0.820519101027674
Energy: 0.966334585427288
Energy: 0.8205191010269077
Energy: 0.9663345854265037
Energy: 1.0028610774618956
Energy: 0.9768623634278442
Energy: 1.0028610774626796
Energy: 0.9768623634278442
Energy: 1.0028610774626796
Energy: 0.9768623634278442
Energy: 0.8206001667917119
Energy: 0.9664124367658972
Energy: 0.8206001667909276
Energy: 0.9664124367658972
Energy: 0.8206001667909276
Energy: 0.9664124367658972
Energy: 0.6077479640610074
Energy: 0.8511148081432568
Energy: 0.6077479641660374
Energy: 0.8511148081432568
Energy: 0.6077479640868683
Energy: 0.8511148081432568
Energy: 0.8718696117718616
Energy: 0.8353056068952401
Energy: 0.8718696118063489
Energy: 0.8353056068952401
Energy: 0.8718696117177693
Energy: 0.8353056068952401
Energy: 1.0029900276806794
Energy: 1.0085140270210906
Energy: 1.0029900276806794
Energy: 1.0085140270210906
Energy: 1.0029900276830321
Energy: 1.0085140270203063
Energy: 1.000366113392917
Energy: 0.8307367885692729
Energy: 1.000366113392917
Energy: 0.8307367885692729
Energy: 1.0003661133921327
Energy: 0.8307367885692729
Energy: 0.8832625744538972
Energy: 0.9181584712610275
Energy: 0.8832625744515447
Energy: 0.9181584712610275
Energy: 0.8832625744570339
Energy: 0.9181584712610275

minimum gb energy = 0.6077479640610074 eV
minimum distance =  2.30429769426276 Angstroms
sigma value = 17


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

Energy: 0.9538225805909007
Energy: 0.931944674635582
Energy: 0.9538225805909007
Energy: 0.931944674635582
Energy: 0.9538225805909007
Energy: 0.931944674635582
Energy: 0.8715590272537738
Energy: 0.9219231171034517
Energy: 0.8715590272537738
Energy: 0.9219231171034517
Energy: 0.8715590272537738
Energy: 0.9219231171034517
Energy: 0.9687390470101116
Energy: 1.1188436015243097
Energy: 0.9687390470101116
Energy: 1.1188436015243097
Energy: 0.9687390470101116
Energy: 1.1188436015243097
Energy: 0.7972344731583851
Energy: 0.9880495292534549
Energy: 0.7972344731583851
Energy: 0.9880495292534549
Energy: 0.7972344731583851
Energy: 0.9880495292534549
Energy: 0.8897362766667392
Energy: 0.961400007008216
Energy: 0.8897362766667392
Energy: 0.961400007007107
Energy: 0.8897362766667392
Energy: 0.961400007008216
Energy: 1.0329173344236098
Energy: 0.9230837614862814
Energy: 1.0329173344236098
Energy: 0.9230837614862814
Energy: 1.0329173344236098
Energy: 0.9230837614862814
Energy: 0.9117821727404574
Energy: 0.8963803389814
Energy: 0.9117821727404574
Energy: 0.8963803389814
Energy: 0.9117821727404574
Energy: 0.8963803389814
Energy: 0.7963179310128123
Energy: 0.9946731839756183
Energy: 0.7963179310117033
Energy: 0.9946731839756183
Energy: 0.7963179310117033
Energy: 0.9946731839756183
Energy: 1.0782767256491306
Energy: 0.9233547948523921
Energy: 1.0782767256491306
Energy: 0.9233547948523921
Energy: 1.0782767256491306
Energy: 0.9233547948523921
Energy: 0.9828514059046661
Energy: 0.9156384254370915
Energy: 0.9828514059035571
Energy: 0.9156384254370915
Energy: 0.9828514059035571
Energy: 0.9156384254370915
Energy: 0.9942202153333708
Energy: 0.8620222292743448
Energy: 0.9942202153333708
Energy: 0.8620222292732357
Energy: 0.9942202153333708
Energy: 0.8620222292743448
Energy: 0.9223499033481465
Energy: 0.9215819486711856
Energy: 0.9223499033481465
Energy: 0.9215819486711856
Energy: 0.9223499033481465
Energy: 0.9215819486711856
Energy: 0.8577191393745273
Energy: 0.9836970827154786
Energy: 0.8577191393745273
Energy: 0.9836970827154786
Energy: 0.8577191393745273
Energy: 0.9836970827154786
Energy: 0.9954033434193953
Energy: 1.11747310922605
Energy: 0.9954033434205043
Energy: 1.11747310922605
Energy: 0.9954033434205043
Energy: 1.11747310922605
Energy: 0.8883026575745505
Energy: 1.027461050154259
Energy: 0.8883026575745505
Energy: 1.027461050154259
Energy: 0.8883026575745505
Energy: 1.027461050154259
Energy: 0.8871851097558378
Energy: 1.279832552221284
Energy: 0.8871851097547288
Energy: 1.279832552221284
Energy: 0.8871851097547288
Energy: 1.279832552221284
Energy: 0.9943559876979067
Energy: 0.8983590165230372
Energy: 0.9943559876979067
Energy: 0.8983590165230372
Energy: 0.9943559876979067
Energy: 0.8983590165230372

minimum gb energy = 0.7963179310117033 eV
minimum distance =  2.3024526283081 Angstroms
sigma value = 17


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

Energy: 0.9263143008279009
Energy: 0.8394374869546118
Energy: 0.9263143008279009
Energy: 0.8394374869546118
Energy: 0.9263143008279009
Energy: 0.8394374869546118
Energy: 0.8903428313649288
Energy: 0.8856021625442034
Energy: 0.8903428313649288
Energy: 0.8856021625442034
Energy: 0.8903428313649288
Energy: 0.8856021625442034
Energy: 0.924149611690627
Energy: 0.9357087882883146
Energy: 0.924149611690627
Energy: 0.9357087882883146
Energy: 0.924149611690627
Energy: 0.9357087882883146
Energy: 0.8655474787443209
Energy: 0.8379992778168313
Energy: 0.8655474787443209
Energy: 0.8379992778168313
Energy: 0.8655474787443209
Energy: 0.8379992778168313
Energy: 0.8843429770051745
Energy: 0.8442363544605773
Energy: 0.8843429770223054
Energy: 0.8442363544605773
Energy: 0.88434297701374
Energy: 0.8442363544605773
Energy: 1.0228883917179188
Energy: 0.9494068406443092
Energy: 1.0228883917179188
Energy: 0.9494068406443092
Energy: 1.0228883917179188
Energy: 0.9494068406443092
Energy: 0.8723093190444073
Energy: 0.9139800069808938
Energy: 0.8723093190444073
Energy: 0.9139800069808938
Energy: 0.8723093190444073
Energy: 0.9139800069808938
Energy: 0.9923190159145392
Energy: 0.912987834090091
Energy: 0.9923190159145392
Energy: 0.9129878340943737
Energy: 0.9923190159145392
Energy: 0.912987834090091
Energy: 0.9271426016386864
Energy: 0.9587373187918296
Energy: 0.9271426016386864
Energy: 0.9587373187918296
Energy: 0.9271426016386864
Energy: 0.9587373187918296
Energy: 0.9029386832323952
Energy: 0.8202141103369366
Energy: 0.9029386832323952
Energy: 0.8202141103369366
Energy: 0.9029386832323952
Energy: 0.8202141103369366
Energy: 0.8254195274134247
Energy: 1.1243150230498122
Energy: 0.8254195274134247
Energy: 1.1243150230498122
Energy: 0.8254195274134247
Energy: 1.1243150230498122
Energy: 0.9961638217297681
Energy: 0.8875709737932433
Energy: 0.9961638217297681
Energy: 0.8875709737932433
Energy: 0.9961638217297681
Energy: 0.8875709737932433
Energy: 0.9260215646510169
Energy: 0.983110031009665
Energy: 0.9260215646510169
Energy: 0.983110031009665
Energy: 0.9260215646510169
Energy: 0.983110031009665
Energy: 0.9358465021515625
Energy: 0.8641626105370583
Energy: 0.9358465021515625
Energy: 0.8641626105370583
Energy: 0.9358465021515625
Energy: 0.8641626105370583
Energy: 0.8798677820104328
Energy: 0.9024282578448566
Energy: 0.8798677820104328
Energy: 0.9024282578448566
Energy: 0.8798677820104328
Energy: 0.9024282578448566
Energy: 0.8472475236329603
Energy: 0.9248248710443403
Energy: 0.8472475236329603
Energy: 0.9248248710443403
Energy: 0.8472475236329603
Energy: 0.9248248710443403
Energy: 0.9347466806912992
Energy: 0.9851299818310758
Energy: 0.9347466806912992
Energy: 0.9851299818310758
Energy: 0.9347466806912992
Energy: 0.9851299818310758
Energy: 0.9643285834716523
Energy: 0.8488468392529805
Energy: 0.9643285834716523
Energy: 0.8488468392529805
Energy: 0.9643285834716523
Energy: 0.8488468392529805
Energy: 0.9330796467421762
Energy: 0.9248385878847266
Energy: 0.9330796467421762
Energy: 0.9248385878847266
Energy: 0.9330796467421762
Energy: 0.9248385878847266
Energy: 0.9329794608189769
Energy: 0.9786253728452983
Energy: 0.9329794608189769
Energy: 0.9968133784766847
Energy: 0.9329794608189769
Energy: 0.9968133784766847
Energy: 0.9326935223654743
Energy: 0.925523786176256
Energy: 0.9326935223654743
Energy: 0.9255237861805388
Energy: 0.9326935223654743
Energy: 0.9255237861805388
Energy: 0.9641302061931515
Energy: 0.8491862966359126
Energy: 0.9641302061931515
Energy: 0.8491862966359126
Energy: 0.9641302061931515
Energy: 0.8491862966359126
Energy: 0.9347239195266884
Energy: 0.9846744545175165
Energy: 0.9347239195266884
Energy: 0.9846744545175165
Energy: 0.9347239195266884
Energy: 0.9846744545175165
Energy: 0.8472991603158656
Energy: 1.039160484566636
Energy: 0.8472991603158656
Energy: 1.0391604845623537
Energy: 0.8472991603158656
Energy: 1.0391604845623537
Energy: 0.879752422531854
Energy: 0.9013394712827206
Energy: 0.879752422531854
Energy: 0.9013394712827206
Energy: 0.879752422531854
Energy: 0.9013394712827206
Energy: 0.9359975358876315
Energy: 0.8649198472311267
Energy: 0.9359975358876315
Energy: 0.8649198472311267
Energy: 0.9359975358876315
Energy: 0.8649198472311267
Energy: 0.9256985439698753
Energy: 0.9836121888836298
Energy: 0.9256985439698753
Energy: 0.9836121888836298
Energy: 0.9256985439698753
Energy: 0.9836121888836298
Energy: 0.9963645088427542
Energy: 0.8887265903041082
Energy: 0.9963645088427542
Energy: 0.8887265903041082
Energy: 0.9963645088427542
Energy: 0.8887265903041082
Energy: 0.8241682747285964
Energy: 1.101845934826006
Energy: 0.8241682747285964
Energy: 1.101845934826006
Energy: 0.8241682747285964
Energy: 1.101845934826006
Energy: 0.9020363959759498
Energy: 0.9143128008345524
Energy: 0.9020363959759498
Energy: 0.9143128008345524
Energy: 0.9020363959759498
Energy: 0.9143128008345524
Energy: 0.9274819373359938
Energy: 0.9589140177561417
Energy: 0.9274819373359938
Energy: 0.9589140177561417
Energy: 0.9274819373359938
Energy: 0.9589140177561417
Energy: 0.9928438992770463
Energy: 0.9129613606841734
Energy: 0.9928438992770463
Energy: 0.9129613606841734
Energy: 0.9928438992770463
Energy: 0.9129613606841734
Energy: 0.8719903857174297
Energy: 0.913508777676796
Energy: 0.8719903857217123
Energy: 0.913508777676796
Energy: 0.8719903857217123
Energy: 0.913508777676796
Energy: 1.0218637892664737
Energy: 0.883597863237736
Energy: 1.0218637892664737
Energy: 0.883597863237736
Energy: 1.0218637892664737
Energy: 0.883597863237736
Energy: 0.8843493865742545
Energy: 0.8444842222500368
Energy: 0.884349386595668
Energy: 0.8444842222500368
Energy: 0.8843493865913853
Energy: 0.8444842222500368
Energy: 0.8921837322500743
Energy: 0.8677582442561722
Energy: 0.8921837322500743
Energy: 0.8677582442561722
Energy: 0.8921837322500743
Energy: 0.8677582442561722
Energy: 0.9240541601345073
Energy: 0.935784729037605
Energy: 0.9240541601345073
Energy: 0.935784729037605
Energy: 0.9240541601345073
Energy: 0.935784729037605
Energy: 0.8902233820027147
Energy: 0.8828073207451209
Energy: 0.8902233820027147
Energy: 0.8828073207451209
Energy: 0.8902233820027147
Energy: 0.8828073207451209
Energy: 0.9263143008279009
Energy: 0.8394374869546118
Energy: 0.9263143008279009
Energy: 0.8394374869546118
Energy: 0.9263143008279009
Energy: 0.8394374869546118
Energy: 0.8903428313649288
Energy: 0.8856021625442034
Energy: 0.8903428313649288
Energy: 0.8856021625442034
Energy: 0.8903428313649288
Energy: 0.8856021625442034
Energy: 0.924149611690627
Energy: 0.9357087882883146
Energy: 0.924149611690627
Energy: 0.9357087882883146
Energy: 0.924149611690627
Energy: 0.9357087882883146
Energy: 0.8655474787443209
Energy: 0.8239559137455459
Energy: 0.8655474787443209
Energy: 0.8239559137455459
Energy: 0.8655474787443209
Energy: 0.8239559137455459
Energy: 0.8843429770094573
Energy: 0.8442363544605773
Energy: 0.8843429770180227
Energy: 0.8442363544605773
Energy: 0.8843429770051745
Energy: 0.8442363544605773

minimum gb energy = 0.8202141103369366 eV
minimum distance =  2.33061903177245 Angstroms
sigma value = 57


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

Energy: 0.8499822843554976
Energy: 0.8471947808524376
Energy: 0.8499822843554976
Energy: 0.8471947808517404
Energy: 0.8499822843554976
Energy: 0.8471947808517404
Energy: 0.8890063486554399
Energy: 0.8231162628059552
Energy: 0.8890063486554399
Energy: 0.8231162628059552
Energy: 0.8890063486554399
Energy: 0.8231162628059552
Energy: 0.8875329563737845
Energy: 0.8756240115998976
Energy: 0.8875329563737845
Energy: 0.8756240115998976
Energy: 0.8875329563737845
Energy: 0.8756240115998976
Energy: 0.8532634426358452
Energy: 0.8881696239464365
Energy: 0.8532634426351478
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Energy: 0.8532634426358452
Energy: 0.8881696239464365
Energy: 0.8863436414510885
Energy: 0.808806142465911
Energy: 0.8863436414510885
Energy: 0.808806142465911
Energy: 0.8863436414510885
Energy: 0.808806142465911
Energy: 0.9757885068010681
Energy: 0.8233452462127732
Energy: 0.9757885068010681
Energy: 0.8233452462127732
Energy: 0.9757885068010681
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Energy: 0.8856069150487017
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Energy: 0.9123676064124325
Energy: 0.9270598758976537
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Energy: 0.9270598758969564
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Energy: 0.8254016584258697
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Energy: 0.8521951035335806
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Energy: 0.8390961719445061
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Energy: 0.8390961719438088
Energy: 0.8695890594040437
Energy: 0.9188577617198129
Energy: 0.934178450182917
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Energy: 0.934178450182917
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Energy: 0.9341784501822197
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Energy: 0.868332039659996
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Energy: 0.8683320396606932
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Energy: 0.9233872979818408
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Energy: 0.883596693195376
Energy: 0.9106598035343443
Energy: 0.8853358403583698
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Energy: 0.8853358403583698
Energy: 0.910659803533647
Energy: 0.8853358403590672
Energy: 0.870963468701722
Energy: 0.9865714916952772
Energy: 0.870963468701722
Energy: 0.9865714916959747
Energy: 0.870963468701722
Energy: 0.9865714916952772
Energy: 0.8050281553598033
Energy: 0.9031894105689032
Energy: 0.8050281553598033
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Energy: 0.7864964482856998
Energy: 1.0295213817755764
Energy: 0.7864964482856998
Energy: 1.0295213817755764
Energy: 0.7864964482856998
Energy: 1.0295213817755764
Energy: 0.8862052460402797
Energy: 0.9371065942132831
Energy: 0.8862052460402797
Energy: 0.9371065942132831
Energy: 0.8862052460402797
Energy: 0.9371065942132831
Energy: 0.8357243620174702
Energy: 0.9519024887615267
Energy: 0.8357243620174702
Energy: 0.9519024887615267
Energy: 0.8357243620174702
Energy: 0.9519024887615267
Energy: 0.7721812672475771
Energy: 1.0337174997319274
Energy: 0.7721812672475771
Energy: 1.0337174997326246
Energy: 0.7721812672475771
Energy: 1.0337174997326246
Energy: 0.8633890559589639
Energy: 0.8923816211814835
Energy: 0.8633890559596612
Energy: 0.8923816211814835
Energy: 0.8633890559589639
Energy: 0.8923816211814835
Energy: 0.8446543611497548
Energy: 1.2239873940317467
Energy: 0.8446543611497548
Energy: 1.223987394030352
Energy: 0.8446543611497548
Energy: 1.2239873940310495
Energy: 0.8151762400886757
Energy: 1.1424262147986097
Energy: 0.8151762400886757
Energy: 1.1424262147986097
Energy: 0.8151762400886757
Energy: 1.1424262147986097
Energy: 0.8415613039047617
Energy: 0.8906047765047479
Energy: 0.8415613039047617
Energy: 0.8906047765047479
Energy: 0.8415613039047617
Energy: 0.8906047765040506
Energy: 0.7853553149037367
Energy: 1.0286419930770623
Energy: 0.7853553149037367
Energy: 1.0286419930770623
Energy: 0.7853553149037367
Energy: 1.0286419930770623

minimum gb energy = 0.7721812672475771 eV
minimum distance =  2.26431467947722 Angstroms
sigma value = 43


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

Energy: 0.7918448741971118
Energy: 0.7538777128635712
Energy: 0.7918448741971118
Energy: 0.7538777128635712
Energy: 0.7918448741971118
Energy: 0.7538777128635712
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Energy: 0.7580930178416955
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Energy: 0.7580930178416955
Energy: 0.7541123621418968
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Energy: 0.7701577707996232
Energy: 0.8073503386816537
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Energy: 0.8073503386816537
Energy: 0.7701577707996232
Energy: 0.8073503386816537
Energy: 0.7554333623076458
Energy: 0.8011644588232867
Energy: 0.7554333623071375
Energy: 0.8011644588227785
Energy: 0.7554333623071375
Energy: 0.8011644588227785
Energy: 0.7520544900972223
Energy: 0.7208099876482472
Energy: 0.7520544900972223
Energy: 0.7208099876482472
Energy: 0.7520544900967142
Energy: 0.7208099876482472
Energy: 0.7906057890964554
Energy: 0.7318247740809167
Energy: 0.7906057890969634
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Energy: 0.7906057890969634
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Energy: 0.742016298135584
Energy: 0.7811608336287857
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Energy: 0.7811608336282777
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Energy: 0.7230991209777092
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Energy: 0.743525859813525
Energy: 0.7364087297400649
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Energy: 0.8199491300677407
Energy: 0.8394413630414976
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Energy: 0.8394413630425137
Energy: 0.8199491300677407
Energy: 0.7127092859917564
Energy: 0.7215043905012749
Energy: 0.7127092859922645
Energy: 0.7215043905012749
Energy: 0.7127092859917564
Energy: 0.721504390501783
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Energy: 0.7017647046884412
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Energy: 0.764177810123361
Energy: 0.8043052507771006
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Energy: 0.7670544255824687
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Energy: 0.7946332695558976
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Energy: 0.8171709206697155
Energy: 0.7689017987444622
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Energy: 0.7085621923896729
Energy: 0.7689017987444622
Energy: 0.7085621923891648
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Energy: 0.7311111247219577
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Energy: 0.7311111247229738
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Energy: 0.7519442610925489
Energy: 0.783854824276078
Energy: 0.8395932572209324
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Energy: 0.8395932572209324
Energy: 0.7838548242765861
Energy: 0.8395932572209324
Energy: 0.7818913204632201
Energy: 0.7343970411572908
Energy: 0.7818913204632201
Energy: 0.734397041101934
Energy: 0.7818913204632201
Energy: 0.7343970411852119
Energy: 0.6861045086824569
Energy: 0.7071541381092509
Energy: 0.6861045086829649
Energy: 0.7071541381092509
Energy: 0.6861045086824569
Energy: 0.7071541381092509
Energy: 0.7127759095162437
Energy: 0.8005101707822927
Energy: 0.7127759095162437
Energy: 0.8005101707828007
Energy: 0.7127759095162437
Energy: 0.8005101707822927
Energy: 0.7864675890277145
Energy: 0.7081103048187705
Energy: 0.7864675890277145
Energy: 0.7081103048187705
Energy: 0.7864675890277145
Energy: 0.7081103048187705
Energy: 0.6476775163330771
Energy: 0.7221861719843655
Energy: 0.6476775163330771
Energy: 0.7221861719838575
Energy: 0.6476775163330771
Energy: 0.7221861719843655
Energy: 0.7132452113510523
Energy: 0.7558587824992793
Energy: 0.7132452113510523
Energy: 0.7558587824992793
Energy: 0.7132452113510523
Energy: 0.7558587824992793
Energy: 0.7310642481577645
Energy: 0.7103617020034396
Energy: 0.7310642481577645
Energy: 0.7103617020034396
Energy: 0.7310642481577645
Energy: 0.7103617020034396
Energy: 0.7080514781891388
Energy: 0.8138214934901948
Energy: 0.7080514781891388
Energy: 0.8138214934896868
Energy: 0.7080514781891388
Energy: 0.8138214934907029
Energy: 0.7138846334032777
Energy: 0.7256372418631624
Energy: 0.7138846334032777
Energy: 0.7256372418626543
Energy: 0.7138846334037857
Energy: 0.7256372418626543
Energy: 0.7085315439051725
Energy: 0.7070125899768821
Energy: 0.7085315439051725
Energy: 0.7070125899773901
Energy: 0.7085315439051725
Energy: 0.7070125899768821
Energy: 0.7402359159405232
Energy: 0.7682887338349843
Energy: 0.7402359159405232
Energy: 0.7682887338349843
Energy: 0.7402359159405232
Energy: 0.7682887338354925
Energy: 0.7463621676410095
Energy: 0.7021758753731389
Energy: 0.7463621676405015
Energy: 0.702175875373647
Energy: 0.7463621676405015
Energy: 0.702175875373647
Energy: 0.6310621314293615
Energy: 0.7085252660023208
Energy: 0.6310621314293615
Energy: 0.7085252660023208
Energy: 0.6310621314298696
Energy: 0.7085252660018126

minimum gb energy = 0.6310621314293615 eV
minimum distance =  2.2725568745904 Angstroms
sigma value = 81


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

Energy: -0.06124744706283725
Energy: -0.001968725944127969
Energy: -0.06124744706283725
Energy: -0.001968725944127969
Energy: -0.06124744706283725
Energy: -0.001968725944127969
Energy: 0.7821649166492107
Energy: -0.060083201285564075
Energy: 0.7821649166492107
Energy: -0.060083201285564075
Energy: 0.7821649166492107
Energy: -0.060083201285564075
Energy: 0.7821635337087927
Energy: -0.06004586872870668
Energy: 0.7821635337087927
Energy: -0.06004586872870668
Energy: 0.7821635337087927
Energy: -0.06004586872870668
Energy: -0.06124744706283725
Energy: -0.001968725944127969
Energy: -0.06124744706283725
Energy: -0.001968725944127969
Energy: -0.06124744706283725
Energy: -0.001968725944127969
Energy: 0.7821649166492107
Energy: -0.060083201285564075
Energy: 0.7821649166492107
Energy: -0.060083201285564075
Energy: 0.7821649166492107
Energy: -0.060083201285564075
Energy: 0.7821635337087927
Energy: -0.06004586872870668
Energy: 0.7821635337087927
Energy: -0.06004586872870668
Energy: 0.7821635337087927
Energy: -0.06004586872870668
Energy: -0.06124744706283725
Energy: -0.001968725944127969
Energy: -0.06124744706283725
Energy: -0.001968725944127969
Energy: -0.06124744706283725
Energy: -0.001968725944127969
Energy: 0.7821649166492107
Energy: -0.060083201285564075
Energy: 0.7821649166492107
Energy: -0.060083201285564075
Energy: 0.7821649166492107
Energy: -0.060083201285564075
Energy: 0.7821635337087927
Energy: -0.06004586872870668
Energy: 0.7821635337087927
Energy: -0.06004586872870668
Energy: 0.7821635337087927
Energy: -0.06004586872870668
Energy: -0.06124744706283725
Energy: -0.001968725944127969
Energy: -0.06124744706283725
Energy: -0.001968725944127969
Energy: -0.06124744706283725
Energy: -0.001968725944127969

minimum gb energy = -0.06124744706283725 eV
minimum distance =  2.46452704353076 Angstroms
sigma value = 3


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

Energy: 0.5356437422108348
Energy: 0.3937351755780182
Energy: 0.5356437422108348
Energy: 0.3937351755780182
Energy: 0.5356437422108348
Energy: 0.3937351755780182
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Energy: 0.41590825624723915
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Energy: 0.4575033054013208
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Energy: 0.5258872961253077
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Energy: 0.46574266136372705
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Energy: 0.4657426613626098
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Energy: 0.5676545977246575
Energy: 0.540732563461402
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Energy: 0.5407325634619606
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Energy: 0.5588883828007657
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Energy: 0.46481979654952527
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Energy: 0.4459413986766702
Energy: 0.5128659754850445
Energy: 0.4459413986766702

minimum gb energy = 0.26515433868871874 eV
minimum distance =  2.3186590017538 Angstroms
sigma value = 67


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

Energy: 0.6290408024637217
Energy: 0.7293815826944919
Energy: 0.6290408024629258
Energy: 0.7293815826944919
Energy: 0.6290408024637217
Energy: 0.7293815826944919
Energy: 0.6920023554837019
Energy: 0.6655399685224851
Energy: 0.6920023554837019
Energy: 0.6655399685224851
Energy: 0.6920023554837019
Energy: 0.6655399685224851
Energy: 0.7845032713146953
Energy: 0.7273287363420473
Energy: 0.7845032713146953
Energy: 0.7273287363420473
Energy: 0.7845032713146953
Energy: 0.7273287363420473
Energy: 0.6648629795841426
Energy: 0.7728113994019874
Energy: 0.6648629795841426
Energy: 0.7728113994019874
Energy: 0.6648629795841426
Energy: 0.7728113994019874
Energy: 0.6926899261480276
Energy: 0.7102756304060885
Energy: 0.6926899261480276
Energy: 0.7102756304052926
Energy: 0.6926899261480276
Energy: 0.7102756304060885
Energy: 0.8055316569237264
Energy: 0.7528481044884943
Energy: 0.8055316569237264
Energy: 0.7528481044884943
Energy: 0.8055316569237264
Energy: 0.7528481044884943
Energy: 0.6994121182304647
Energy: 0.7568965421908775
Energy: 0.6994121182304647
Energy: 0.7568965421908775
Energy: 0.6994121182304647
Energy: 0.7568965421908775
Energy: 0.7755914503152997
Energy: 0.7148504189864103
Energy: 0.7755914503152997
Energy: 0.7148504189864103
Energy: 0.7755914503152997
Energy: 0.7148504189864103
Energy: 0.8355608544514291
Energy: 0.7896707224685484
Energy: 0.8355608544522253
Energy: 0.7896707224685484
Energy: 0.8355608544522253
Energy: 0.7896707224685484
Energy: 0.7627514129958491
Energy: 0.7025587457043848
Energy: 0.7627514129958491
Energy: 0.7025587457035888
Energy: 0.7627514129958491
Energy: 0.7025587457035888
Energy: 0.791263748961337
Energy: 0.7603521712697486
Energy: 0.791263748962133
Energy: 0.7603521712697486
Energy: 0.791263748961337
Energy: 0.7603521712697486
Energy: 0.7240585619161979
Energy: 0.7207035040130897
Energy: 0.7240585619161979
Energy: 0.7207035040130897
Energy: 0.7240585619161979
Energy: 0.7207035040130897
Energy: 0.7696403814502534
Energy: 0.7372101312742192
Energy: 0.7696403814502534
Energy: 0.7372101312742192
Energy: 0.7696403814502534
Energy: 0.7372101312742192
Energy: 0.7483443712493565
Energy: 0.6763563000161906
Energy: 0.7483443712493565
Energy: 0.6763563000161906
Energy: 0.7483443712493565
Energy: 0.6763563000161906
Energy: 0.6760208086968174
Energy: 0.6982639019438395
Energy: 0.6760208086968174
Energy: 0.6982639019438395
Energy: 0.6760208086968174
Energy: 0.6982639019438395
Energy: 0.6685048425262373
Energy: 0.7288921483356202
Energy: 0.6685048425262373
Energy: 0.7288921483356202
Energy: 0.6685048425254413
Energy: 0.7288921483356202
Energy: 0.760558699089061
Energy: 0.6738796701320006
Energy: 0.760558699089061
Energy: 0.6738796701320006
Energy: 0.760558699089061
Energy: 0.6738796701320006
Energy: 0.6185397766952516
Energy: 0.7102647560453056
Energy: 0.6185397766944556
Energy: 0.7102647560453056
Energy: 0.6185397766952516
Energy: 0.7102647560453056
Energy: 0.6987027114914977
Energy: 0.7768999514077309
Energy: 0.6987027114978657
Energy: 0.7768999514077309
Energy: 0.6987027114907016
Energy: 0.7768999514077309
Energy: 1.0196711086628822
Energy: 0.6757312381208315
Energy: 1.0196711086628822
Energy: 0.6757312381208315
Energy: 1.0196711086628822
Energy: 0.6757312381208315
Energy: 0.7211882018896258
Energy: 0.7679257439226679
Energy: 0.7211882018888299
Energy: 0.7679257439226679
Energy: 0.7211882018896258
Energy: 0.7679257439234639
Energy: 0.7358810653327077
Energy: 0.8134650193807061
Energy: 0.7358810653327077
Energy: 0.8134650193807061
Energy: 0.7358810653327077
Energy: 0.8134650193807061
Energy: 0.7758688454881345
Energy: 0.67372109655659
Energy: 0.7758688454881345
Energy: 0.6737210965557939
Energy: 0.7758688454881345
Energy: 0.67372109655659

minimum gb energy = 0.6185397766944556 eV
minimum distance =  2.32130375561214 Angstroms
sigma value = 33


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

Energy: 0.8198638727609814
Energy: 0.8652378856178076
Energy: 0.8198638727609814
Energy: 0.8652378856183127
Energy: 0.8198638727604763
Energy: 0.8652378856183127
Energy: 0.9706577265293117
Energy: 0.8796546659099119
Energy: 0.9706577265293117
Energy: 0.8796546659099119
Energy: 0.9706577265293117
Energy: 0.8796546659099119
Energy: 0.8833395122302451
Energy: 0.8970484309655757
Energy: 0.8833395122307501
Energy: 0.8970484309655757
Energy: 0.8833395122307501
Energy: 0.8970484309655757
Energy: 0.8970085014007491
Energy: 0.9511788859186092
Energy: 0.8970085014002439
Energy: 0.9511788859186092
Energy: 0.8970085014007491
Energy: 0.9511788859186092
Energy: 0.9299073237464515
Energy: 0.8699055977514536
Energy: 0.9299073237464515
Energy: 0.8699055977514536
Energy: 0.9299073237464515
Energy: 0.8699055977514536
Energy: 0.9325541638400571
Energy: 0.9808247097320071
Energy: 0.9325541638400571
Energy: 0.9808247097320071
Energy: 0.9325541638400571
Energy: 0.9808247097320071
Energy: 0.8470327072777323
Energy: 0.9048549523214086
Energy: 0.8470327072777323
Energy: 0.9048549523214086
Energy: 0.8470327072777323
Energy: 0.9048549523214086
Energy: 0.9713505386517685
Energy: 0.9571237714822236
Energy: 0.9713505386512635
Energy: 0.9571237714822236
Energy: 0.9713505386517685
Energy: 0.9571237714822236
Energy: 0.9437077409623583
Energy: 0.9316024213024874
Energy: 0.9437077409623583
Energy: 0.9316024213024874
Energy: 0.9437077409623583
Energy: 0.9316024213024874
Energy: 0.792695852779347
Energy: 0.9121820645858955
Energy: 0.792695852779347
Energy: 0.9121820645858955
Energy: 0.792695852779347
Energy: 0.9121820645853904
Energy: 0.9644854078150532
Energy: 0.8713028300796322
Energy: 0.9644854078150532
Energy: 0.8713028300796322
Energy: 0.9644854078150532
Energy: 0.8713028300796322
Energy: 0.8519930285674163
Energy: 0.8984794551240353
Energy: 0.8519930285674163
Energy: 0.8984794551240353
Energy: 0.8519930285674163
Energy: 0.8984794551240353
Energy: 0.7916663978154739
Energy: 0.8685121741549802
Energy: 0.7916663978154739
Energy: 0.8685121741549802
Energy: 0.7916663978174938
Energy: 0.8685121741549802
Energy: 0.8783310208488486
Energy: 0.874736786036031
Energy: 0.8783310208488486
Energy: 0.874736786036031
Energy: 0.8783310208488486
Energy: 0.874736786036031
Energy: 0.8103123187678324
Energy: 0.869740573688692
Energy: 0.8103123187678324
Energy: 0.869740573688692
Energy: 0.8103123187678324
Energy: 0.869740573688692
Energy: 0.8493557247841115
Energy: 0.9137405598912574
Energy: 0.8493557247841115
Energy: 0.9137405598912574
Energy: 0.8493557247841115
Energy: 0.9137405598912574
Energy: 0.9287920206924417
Energy: 0.8983635959383504
Energy: 0.9287920206929465
Energy: 0.8983635959383504
Energy: 0.9287920206929465
Energy: 0.8983635959383504
Energy: 0.8728810178972206
Energy: 0.9171506226451993
Energy: 0.8728810178972206
Energy: 0.9171506226451993
Energy: 0.8728810178972206
Energy: 0.9171506226457042
Energy: 0.8218419458147626
Energy: 0.9303717712648667
Energy: 0.8218419458147626
Energy: 0.9303717712648667
Energy: 0.8218419458147626
Energy: 0.9303717712648667
Energy: 0.9167618054172862
Energy: 0.8768661778650111
Energy: 0.9167618054172862
Energy: 0.8768661778645062
Energy: 0.9167618054172862
Energy: 0.8768661778645062
Energy: 0.8509050473520178
Energy: 0.9326410023767785
Energy: 0.8509050473525228
Energy: 0.9326410023767785
Energy: 0.8509050473520178
Energy: 0.9326410023767785
Energy: 0.8187795444080673
Energy: 0.9063860495217262
Energy: 0.8187795444080673
Energy: 0.9063860495217262
Energy: 0.8187795444110743
Energy: 0.9063860495217262
Energy: 0.9493789231462078
Energy: 0.8714099599761059
Energy: 0.9493789231462078
Energy: 0.8714099599761059
Energy: 0.9493789231462078
Energy: 0.8714099599761059
Energy: 0.7921476681945109
Energy: 0.8797549720564987
Energy: 0.7921476681945109
Energy: 0.8797549720570035
Energy: 0.7921476681945109
Energy: 0.8797549720570035
Energy: 0.8437561986417356
Energy: 0.8953542039765187
Energy: 0.8437561986417356
Energy: 0.8953542039765187
Energy: 0.8437561986417356
Energy: 0.8953542039765187
Energy: 0.9489125120961691
Energy: 0.9139096655005161
Energy: 0.9489125120961691
Energy: 0.9139096655010212
Energy: 0.9489125120961691
Energy: 0.9139096655010212
Energy: 0.8434652423277854
Energy: 0.9070305455534927
Energy: 0.8434652423282903
Energy: 0.9070305455534927
Energy: 0.8434652423277854
Energy: 0.9070305455534927
Energy: 0.8527078956602241
Energy: 0.9757606834262063
Energy: 0.8527078956607291
Energy: 0.9757606834262063
Energy: 0.8527078956607291
Energy: 0.9757606834262063
Energy: 0.915876678841387
Energy: 0.8716270705892494
Energy: 0.915876678841387
Energy: 0.8716270705887443
Energy: 0.915876678841387
Energy: 0.8716270705887443
Energy: 0.824628303428671
Energy: 0.8963125031396183
Energy: 0.824628303428671
Energy: 0.8963125031396183
Energy: 0.824628303428671
Energy: 0.8963125031396183
Energy: 0.9303127240070759
Energy: 0.98801804922658
Energy: 0.9303127240075808
Energy: 0.988018049226075
Energy: 0.9303127240080858
Energy: 0.98801804922658
Energy: 0.9310980897968952
Energy: 0.8777793612497231
Energy: 0.9310980897968952
Energy: 0.8777793612497231
Energy: 0.9310980897968952
Energy: 0.8777793612497231
Energy: 0.8907197101561289
Energy: 0.9331542402076313
Energy: 0.8907197101561289
Energy: 0.9331542402076313
Energy: 0.8907197101561289
Energy: 0.9331542402076313
Energy: 0.8146917973038569
Energy: 0.8623593671989969
Energy: 0.8146917973038569
Energy: 0.8623593671989969
Energy: 0.8146917973038569
Energy: 0.8623593671989969
Energy: 0.8855162476100098
Energy: 0.8963264727562779
Energy: 0.8855162476100098
Energy: 0.8963264727562779
Energy: 0.8855162476095049
Energy: 0.8963264727562779
Energy: 0.793379127608817
Energy: 0.8528301342844962
Energy: 0.793379127608817
Energy: 0.8528301342839912
Energy: 0.793379127608817
Energy: 0.8528301342844962
Energy: 0.8538830634967215
Energy: 0.8263622963347745
Energy: 0.8538830634967215
Energy: 0.8263622963347745
Energy: 0.8538830634967215
Energy: 0.8263622963347745

minimum gb energy = 0.7916663978154739 eV
minimum distance =  2.32530665464458 Angstroms
sigma value = 41


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

Energy: 1.1442667739492158
Energy: 1.2225087897790343
Energy: 1.1442667739492158
Energy: 1.2225087897790343
Energy: 1.1442667739492158
Energy: 1.2225087897790343
Energy: 1.1400796891610985
Energy: 1.133924148548325
Energy: 1.1400796891610985
Energy: 1.133924148548325
Energy: 1.1400796891610985
Energy: 1.133924148548325
Energy: 1.2099946495251284
Energy: 1.1301144966249157
Energy: 1.2099946495251284
Energy: 1.1301144966249157
Energy: 1.2099946495251284
Energy: 1.1301144966249157
Energy: 1.1355926632591482
Energy: 1.1878124076328975
Energy: 1.1355926632591482
Energy: 1.1878124076328975
Energy: 1.1355926632591482
Energy: 1.1878124076328975
Energy: 1.1311888200351772
Energy: 1.1472597302573593
Energy: 1.1311888200351772
Energy: 1.1472597302573593
Energy: 1.1311888200351772
Energy: 1.1472597302573593
Energy: 1.2014384064804198
Energy: 1.2055871514740113
Energy: 1.201438406479041
Energy: 1.2055871514740113
Energy: 1.201438406479041
Energy: 1.2055871514726326
Energy: 1.1320187929925154
Energy: 1.1073879428664213
Energy: 1.1320187929925154
Energy: 1.1073879428664213
Energy: 1.1320187929925154
Energy: 1.1073879428664213
Energy: 1.1377683994238135
Energy: 1.1344447810926501
Energy: 1.1377683994238135
Energy: 1.1344447810926501
Energy: 1.1377683994238135
Energy: 1.1344447810926501
Energy: 1.1439796255187642
Energy: 1.119002390251303
Energy: 1.1439796255187642
Energy: 1.1190023902499244
Energy: 1.1439796255187642
Energy: 1.119002390251303
Energy: 1.1365983438997573
Energy: 1.1362429594213357
Energy: 1.1365983438997573
Energy: 1.1362429594213357
Energy: 1.1365983438997573
Energy: 1.1362429594213357
Energy: 1.1036247134626322
Energy: 1.1308185411331084
Energy: 1.1036247134626322
Energy: 1.1308185411331084
Energy: 1.1036247134626322
Energy: 1.1308185411331084
Energy: 1.1341007971958394
Energy: 1.1338042143386597
Energy: 1.1341007971958394
Energy: 1.1338042143386597
Energy: 1.1341007971958394
Energy: 1.1338042143386597
Energy: 1.2058095881558903
Energy: 1.185957009687946
Energy: 1.2058095881558903
Energy: 1.185957009687946
Energy: 1.2058095881558903
Energy: 1.185957009687946
Energy: 1.1354550422663574
Energy: 1.1338214253808625
Energy: 1.1354550422663574
Energy: 1.1338214253808625
Energy: 1.1354550422663574
Energy: 1.1338214253808625

minimum gb energy = 1.1036247134626322 eV
minimum distance =  2.30634415897122 Angstroms
sigma value = 11


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

Energy: 1.361472682945908
Energy: 1.3353193473308522
Energy: 1.361472682945908
Energy: 1.3353193473308522
Energy: 1.361472682945908
Energy: 1.3353193473308522
Energy: 1.2551982055141677
Energy: 1.2718176377135393
Energy: 1.2551982055141677
Energy: 1.2718176377135393
Energy: 1.2551982055141677
Energy: 1.2718176377135393
Energy: 1.3228477918683508
Energy: 1.2984180533897
Energy: 1.3228477918683508
Energy: 1.2984180533897
Energy: 1.3228477918683508
Energy: 1.2984180533897
Energy: 1.31508977559666
Energy: 1.2521600498235366
Energy: 1.31508977559666
Energy: 1.2521600498229306
Energy: 1.31508977559666
Energy: 1.2521600498235366
Energy: 1.3459593631123405
Energy: 1.290088350851181
Energy: 1.3459593631123405
Energy: 1.290088350851181
Energy: 1.3459593631123405
Energy: 1.290088350851181
Energy: 1.285611865062996
Energy: 1.3004203320371803
Energy: 1.285611865062996
Energy: 1.3004203320371803
Energy: 1.285611865062996
Energy: 1.3004203320371803
Energy: 1.3122803556975733
Energy: 1.2705436688891258
Energy: 1.3122803556975733
Energy: 1.27054366888852
Energy: 1.3122803556975733
Energy: 1.2705436688891258
Energy: 1.250002640012952
Energy: 1.2546118626362903
Energy: 1.250002640012952
Energy: 1.2546118626362903
Energy: 1.250002640012346
Energy: 1.2546118626362903
Energy: 1.2864947616748355
Energy: 1.2885996635842762
Energy: 1.2864947616748355
Energy: 1.2885996635842762
Energy: 1.2864947616748355
Energy: 1.2885996635842762
Energy: 1.3019208774009274
Energy: 1.319038955977956
Energy: 1.3019208774009274
Energy: 1.319038955977956
Energy: 1.3019208774009274
Energy: 1.31903895597735
Energy: 1.2901781781779007
Energy: 1.2798847402104185
Energy: 1.2901781781779007
Energy: 1.2798847402110243
Energy: 1.2901781781779007
Energy: 1.2798847402104185
Energy: 1.3353267228081422
Energy: 1.2884351343007632
Energy: 1.3353267228081422
Energy: 1.2884351343013685
Energy: 1.3353267228081422
Energy: 1.2884351343013685
Energy: 1.3031832411434574
Energy: 1.2822343239813396
Energy: 1.3031832411434574
Energy: 1.282234323981945
Energy: 1.3031832411434574
Energy: 1.282234323981945
Energy: 1.3437030900173759
Energy: 1.2630755327085679
Energy: 1.3437030900173759
Energy: 1.2630755327085679
Energy: 1.3437030900173759
Energy: 1.2630755327085679
Energy: 1.3021690441076326
Energy: 1.319733331274919
Energy: 1.3021690441076326
Energy: 1.3197333312743134
Energy: 1.3021690441076326
Energy: 1.319733331274919
Energy: 1.3096288806101979
Energy: 1.2818703209157656
Energy: 1.3096288806101979
Energy: 1.2818703209157656
Energy: 1.3096288806101979
Energy: 1.2818703209157656
Energy: 1.2592771502592213
Energy: 1.271562693446257
Energy: 1.2592771502592213
Energy: 1.2715626934468627
Energy: 1.2592771502592213
Energy: 1.271562693446257
Energy: 1.2900206297737258
Energy: 1.3428231577071381
Energy: 1.2900206297737258
Energy: 1.3428231577071381
Energy: 1.2900206297737258
Energy: 1.3428231577071381
Energy: 1.2828244586291715
Energy: 1.2454223972555545
Energy: 1.2828244586291715
Energy: 1.24542239725616
Energy: 1.2828244586291715
Energy: 1.2454223972555545
Energy: 1.298492624637582
Energy: 1.2714887376684798
Energy: 1.298492624637582
Energy: 1.2714887376684798
Energy: 1.298492624637582
Energy: 1.2714887376684798
Energy: 1.2715773742071714
Energy: 1.3028477923914616
Energy: 1.2715773742071714
Energy: 1.3028477923914616
Energy: 1.2715773742071714
Energy: 1.3028477923914616
Energy: 1.332420681792346
Energy: 1.3266071410420663
Energy: 1.332420681792346
Energy: 1.3266071410420663
Energy: 1.332420681792346
Energy: 1.3266071410420663
Energy: 1.307575638905463
Energy: 1.2993986296414988
Energy: 1.307575638905463
Energy: 1.2993986296421047
Energy: 1.307575638905463
Energy: 1.2993986296421047
Energy: 1.311027243371988
Energy: 1.2985193906671901
Energy: 1.311027243371988
Energy: 1.2985193906677959
Energy: 1.311027243371988
Energy: 1.2985193906677959
Energy: 1.3011633488159664
Energy: 1.3175049283619804
Energy: 1.3011633488159664
Energy: 1.3175049283625864
Energy: 1.3011633488159664
Energy: 1.3175049283619804
Energy: 1.2603605155154747
Energy: 1.2728915809981105
Energy: 1.2603605155154747
Energy: 1.2728915809981105
Energy: 1.2603605155154747
Energy: 1.2728915809981105
Energy: 1.2843748266224806
Energy: 1.3523858997762161
Energy: 1.284374826623086
Energy: 1.3523858997762161
Energy: 1.284374826623086
Energy: 1.3523858997762161
Energy: 1.2909589035546818
Energy: 1.2536316161192769
Energy: 1.2909589035546818
Energy: 1.2536316161192769
Energy: 1.2909589035546818
Energy: 1.2536316161192769
Energy: 1.2945375934651127
Energy: 1.3049686230620234
Energy: 1.2945375934651127
Energy: 1.3049686230620234
Energy: 1.2945375934651127
Energy: 1.3049686230620234
Energy: 1.2925458572601776
Energy: 1.2429946241738472
Energy: 1.292545857260783
Energy: 1.2429946241732415
Energy: 1.2925458572601776
Energy: 1.2429946241738472
Energy: 1.2993601662812186
Energy: 1.4042701917851503
Energy: 1.2993601662812186
Energy: 1.4042701917851503
Energy: 1.2993601662812186
Energy: 1.4042701917851503

minimum gb energy = 1.2429946241732415 eV
minimum distance =  2.25704951318297 Angstroms
sigma value = 57


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

Energy: 1.2481058835696477
Energy: 1.2536801870858716
Energy: 1.2481058835696477
Energy: 1.2536801870858716
Energy: 1.2481058835696477
Energy: 1.2536801870858716
Energy: 1.247853444134773
Energy: 1.26366847908274
Energy: 1.247853444134773
Energy: 1.26366847908274
Energy: 1.247853444134773
Energy: 1.26366847908274
Energy: 1.402147427535983
Energy: 1.2882785994489343
Energy: 1.402147427535983
Energy: 1.2882785994489343
Energy: 1.402147427535983
Energy: 1.2882785994489343
Energy: 1.2669189649949095
Energy: 1.2340952374010195
Energy: 1.2669189649949095
Energy: 1.2340952373999414
Energy: 1.2669189649949095
Energy: 1.2340952374010195
Energy: 1.402004731607682
Energy: 1.2882970301001895
Energy: 1.402004731607682
Energy: 1.2882970301001895
Energy: 1.402004731607682
Energy: 1.2882970301001895
Energy: 1.2479349610872914
Energy: 1.234284126929409
Energy: 1.2479349610872914
Energy: 1.234284126929409
Energy: 1.2479349610872914
Energy: 1.234284126929409
Energy: 1.2481058835696477
Energy: 1.2536801870858716
Energy: 1.2481058835696477
Energy: 1.2536801870858716
Energy: 1.2481058835696477
Energy: 1.2536801870869496
Energy: 1.247853444134773
Energy: 1.26366847908274
Energy: 1.247853444134773
Energy: 1.26366847908274
Energy: 1.247853444134773
Energy: 1.26366847908274
Energy: 1.4021474275349053
Energy: 1.2882785994489343
Energy: 1.4021474275349053
Energy: 1.2882785994489343
Energy: 1.402147427535983
Energy: 1.2882785994489343
Energy: 1.2669189649949095
Energy: 1.3160959614653416
Energy: 1.2669189649949095
Energy: 1.3160959614653416
Energy: 1.2669189649949095
Energy: 1.3160959614653416
Energy: 1.402004731607682
Energy: 1.2882970301001895
Energy: 1.402004731607682
Energy: 1.2882970301001895
Energy: 1.402004731607682
Energy: 1.2882970301001895
Energy: 1.2479349610872914
Energy: 1.234284126929409
Energy: 1.2479349610872914
Energy: 1.234284126929409
Energy: 1.2479349610872914
Energy: 1.234284126929409
Energy: 1.2481058835696477
Energy: 1.2536801870858716
Energy: 1.2481058835696477
Energy: 1.2536801870858716
Energy: 1.2481058835696477
Energy: 1.2536801870858716
Energy: 1.247853444134773
Energy: 1.26366847908274
Energy: 1.247853444134773
Energy: 1.26366847908274
Energy: 1.247853444134773
Energy: 1.26366847908274
Energy: 1.402147427535983
Energy: 1.2882785994489343
Energy: 1.402147427535983
Energy: 1.2882785994489343
Energy: 1.402147427535983
Energy: 1.2882785994489343
Energy: 1.2669189649949095
Energy: 1.3160959614653416
Energy: 1.2669189649949095
Energy: 1.3160959614653416
Energy: 1.2669189649949095
Energy: 1.3160959614653416
Energy: 1.402004731607682
Energy: 1.2882970301001895
Energy: 1.402004731607682
Energy: 1.2882970301001895
Energy: 1.402004731607682
Energy: 1.2882970301001895

minimum gb energy = 1.2340952373999414 eV
minimum distance =  2.27529182040363 Angstroms
sigma value = 9


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

Energy: 1.4275935368182622
Energy: 1.2526899300043983
Energy: 1.4275935368182622
Energy: 1.2526899300043983
Energy: 1.4275935368182622
Energy: 1.2526899300043983
Energy: 1.3433979534885652
Energy: 1.2655309781695938
Energy: 1.3433979534885652
Energy: 1.2655309781695938
Energy: 1.3433979534885652
Energy: 1.2655309781695938
Energy: 1.3142442797659302
Energy: 1.258437405340262
Energy: 1.3142442797659302
Energy: 1.258437405340262
Energy: 1.3142442797659302
Energy: 1.258437405340262
Energy: 1.2254178768097626
Energy: 1.4045783522001973
Energy: 1.2254178768097626
Energy: 1.4045783522001973
Energy: 1.2254178768097626
Energy: 1.4045783522010773
Energy: 1.2972903619619898
Energy: 1.273188245881536
Energy: 1.2972903619619898
Energy: 1.273188245880656
Energy: 1.2972903619619898
Energy: 1.273188245881536
Energy: 1.323922065995849
Energy: 1.2821669104721585
Energy: 1.323922065995849
Energy: 1.2821669104712785
Energy: 1.323922065995849
Energy: 1.2821669104721585
Energy: 1.2238827534795609
Energy: 1.3394650008214788
Energy: 1.2238827534795609
Energy: 1.3394650008214788
Energy: 1.2238827534795609
Energy: 1.3394650008214788
Energy: 1.2292394034793095
Energy: 1.3360884010383771
Energy: 1.2292394034793095
Energy: 1.3360884010383771
Energy: 1.2292394034793095
Energy: 1.3360884010383771
Energy: 1.406362833036964
Energy: 1.2750044719426261
Energy: 1.406362833036964
Energy: 1.2750044719426261
Energy: 1.406362833036964
Energy: 1.2750044719426261
Energy: 1.2264929168020757
Energy: 1.3085855658563232
Energy: 1.2264929168020757
Energy: 1.3085855658563232
Energy: 1.2264929168020757
Energy: 1.3085855658563232
Energy: 1.2555316712066655
Energy: 1.3362378460642053
Energy: 1.2555316712066655
Energy: 1.3362378460642053
Energy: 1.2555316712066655
Energy: 1.3362378460642053
Energy: 1.4505065221479283
Energy: 1.3105263698625162
Energy: 1.4505065221479283
Energy: 1.3105263698625162
Energy: 1.4505065221479283
Energy: 1.3105263698625162
Energy: 1.225844617992969
Energy: 1.3271665966872126
Energy: 1.225844617992969
Energy: 1.3271665966872126
Energy: 1.2258446179920888
Energy: 1.3271665966872126
Energy: 1.280742082347588
Energy: 1.3325425962380701
Energy: 1.280742082347588
Energy: 1.3325425962380701
Energy: 1.280742082347588
Energy: 1.3325425962380701
Energy: 1.3727990648127089
Energy: 1.2507329214134175
Energy: 1.3727990648127089
Energy: 1.2507329214134175
Energy: 1.3727990648127089
Energy: 1.2507329214134175
Energy: 1.2867407809078268
Energy: 1.3506464256437671
Energy: 1.2867407809078268
Energy: 1.3506464256437671
Energy: 1.2867407809078268
Energy: 1.3506464256437671
Energy: 1.2931230902181137
Energy: 1.3551317165986665
Energy: 1.2931230902181137
Energy: 1.3551317165986665
Energy: 1.2931230902181137
Energy: 1.3551317165986665
Energy: 1.4803036766951316
Energy: 1.28196627002852
Energy: 1.4803036766951316
Energy: 1.28196627002852
Energy: 1.4803036766951316
Energy: 1.28196627002852
Energy: 1.2382828380679327
Energy: 1.3281348065260468
Energy: 1.2382828380679327
Energy: 1.3281348065260468
Energy: 1.2382828380679327
Energy: 1.3281348065260468
Energy: 1.283243380065124
Energy: 1.2536035665230778
Energy: 1.283243380065124
Energy: 1.2536035665230778
Energy: 1.283243380065124
Energy: 1.2536035665230778
Energy: 1.4458487420259096
Energy: 1.3157387414601234
Energy: 1.4458487420259096
Energy: 1.3157387414601234
Energy: 1.4458487420259096
Energy: 1.3157387414601234

minimum gb energy = 1.2238827534795609 eV
minimum distance =  2.33126943674004 Angstroms
sigma value = 27


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

Energy: 1.4636439817335338
Energy: 1.3954464195415754
Energy: 1.3938441731538516
Energy: 1.3954464195415754
Energy: 1.4636439817335338
Energy: 1.3954464195415754
Energy: 1.4156782733023199
Energy: 1.2853505783257095
Energy: 1.4156782733023199
Energy: 1.2853505783257095
Energy: 1.4156782733023199
Energy: 1.2853505783257095
Energy: 1.3371759213216123
Energy: 1.2991161465341374
Energy: 1.3371759213216123
Energy: 1.2991161465341374
Energy: 1.3371759213216123
Energy: 1.2991161465341374
Energy: 1.3929683038639915
Energy: 1.3995541935750724
Energy: 1.3929683038639915
Energy: 1.3995541935750724
Energy: 1.3929683038639915
Energy: 1.3995541935750724
Energy: 1.3919321335622639
Energy: 1.373059644191707
Energy: 1.3919321335622639
Energy: 1.373059644191707
Energy: 1.3919321335622639
Energy: 1.373059644191707
Energy: 1.3412352420154943
Energy: 1.4016253312683093
Energy: 1.3412352420154943
Energy: 1.4016253312683093
Energy: 1.3412352420154943
Energy: 1.4016253312683093
Energy: 1.2799828528752104
Energy: 1.4107560488125976
Energy: 1.2799828528752104
Energy: 1.4107560488125976
Energy: 1.2799828528752104
Energy: 1.4107560488125976
Energy: 1.3752904736946368
Energy: 1.4089037834914806
Energy: 1.3752904736946368
Energy: 1.4089037834914806
Energy: 1.3752904736953786
Energy: 1.4089037834914806
Energy: 1.3833907589231311
Energy: 1.2830499082703388
Energy: 1.3860616423221277
Energy: 1.2830499082703388
Energy: 1.3833907589231311
Energy: 1.2830499082703388
Energy: 1.3955059937300287
Energy: 1.3734381274956868
Energy: 1.3956158748969942
Energy: 1.3734381274956868
Energy: 1.3955059937300287
Energy: 1.3734381274956868
Energy: 1.4887747637994668
Energy: 1.3244480848306226
Energy: 1.4888214253394436
Energy: 1.3244480848306226
Energy: 1.4887747637994668
Energy: 1.3244480848306226
Energy: 1.3889678282371918
Energy: 1.282512071321216
Energy: 1.3889678282371918
Energy: 1.282512071321216
Energy: 1.3889678282371918
Energy: 1.282512071321216
Energy: 1.4090079700468001
Energy: 1.3996519753676369
Energy: 1.4090079700468001
Energy: 1.399651975366895
Energy: 1.4090079700468001
Energy: 1.399651975366895
Energy: 1.2814431441568703
Energy: 1.3074853097019794
Energy: 1.2814431441568703
Energy: 1.3074853097019794
Energy: 1.2814431441568703
Energy: 1.3074853097019794
Energy: 1.3014415220975653
Energy: 1.3808111498336983
Energy: 1.3015871197313407
Energy: 1.3808111498336983
Energy: 1.3014415220975653
Energy: 1.3808111498336983
Energy: 1.2887342444814966
Energy: 1.373755496188979
Energy: 1.288734244480755
Energy: 1.373755496188979
Energy: 1.2887342444814966
Energy: 1.373755496188979
Energy: 1.395953687840051
Energy: 1.3417408522511611
Energy: 1.395953687840051
Energy: 1.3417408522511611
Energy: 1.395953687840051
Energy: 1.3417408522511611
Energy: 1.3703872232103242
Energy: 1.2984889274360585
Energy: 1.3703872232103242
Energy: 1.2984889274360585
Energy: 1.3703872232103242
Energy: 1.2984889274360585
Energy: 1.3060830088255013
Energy: 1.2801013348436914
Energy: 1.2820455328890046
Energy: 1.2801013348436914
Energy: 1.3060830088247595
Energy: 1.2801013348444332
Energy: 1.4636439817335338
Energy: 1.3954464195415754
Energy: 1.3938441731538516
Energy: 1.3954464195415754
Energy: 1.4636439817335338
Energy: 1.3954464195415754
Energy: 1.4156782733023199
Energy: 1.2853505783257095
Energy: 1.4156782733030615
Energy: 1.2853505783257095
Energy: 1.4156782733030615
Energy: 1.2853505783257095
Energy: 1.3371759213216123
Energy: 1.2991161465341374
Energy: 1.3371759213216123
Energy: 1.2991161465341374
Energy: 1.3371759213216123
Energy: 1.2991161465341374
Energy: 1.3929683038639915
Energy: 1.3995541935750724
Energy: 1.3929683038639915
Energy: 1.3995541935750724
Energy: 1.3929683038639915
Energy: 1.3995541935750724
Energy: 1.3919321335622639
Energy: 1.373059644191707
Energy: 1.3919321335622639
Energy: 1.373059644191707
Energy: 1.3919321335622639
Energy: 1.373059644191707
Energy: 1.3412352420154943
Energy: 1.4016253312683093
Energy: 1.3412352420154943
Energy: 1.4016253312683093
Energy: 1.3412352420154943
Energy: 1.4016253312683093

minimum gb energy = 1.2799828528752104 eV
minimum distance =  2.28418308093694 Angstroms
sigma value = 19


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

Energy: 1.359822192074275
Energy: 1.4421441548021954
Energy: 1.359822192074275
Energy: 1.4421441548021954
Energy: 1.359822192074275
Energy: 1.4421441548021954
Energy: 1.2874838785794664
Energy: 1.31982184230484
Energy: 1.2874838785794664
Energy: 1.31982184230484
Energy: 1.2874838785794664
Energy: 1.31982184230484
Energy: 1.3075130137757551
Energy: 1.3112240996444215
Energy: 1.3075130137757551
Energy: 1.3112240996444215
Energy: 1.3075130137757551
Energy: 1.3112240996444215
Energy: 1.2658321018988399
Energy: 1.2780360525857206
Energy: 1.2658321018988399
Energy: 1.2780360525857206
Energy: 1.2658321018988399
Energy: 1.2780360525857206
Energy: 1.3144518143819606
Energy: 1.3006151572853166
Energy: 1.3144518143819606
Energy: 1.3006151572853166
Energy: 1.3144518143819606
Energy: 1.3006151572853166
Energy: 1.2881643052516238
Energy: 1.306910482577383
Energy: 1.2881643052516238
Energy: 1.306910482577383
Energy: 1.2881643052516238
Energy: 1.306910482577383
Energy: 1.2715676165775889
Energy: 1.4623459910723366
Energy: 1.2715676165775889
Energy: 1.4623459910723366
Energy: 1.2715676165775889
Energy: 1.4623459910723366
Energy: 1.3306258361696524
Energy: 1.455908149070393
Energy: 1.3306258361696524
Energy: 1.455908149070393
Energy: 1.3306258361696524
Energy: 1.455908149070393
Energy: 1.3135282305749614
Energy: 1.2662191165994585
Energy: 1.3135282305749614
Energy: 1.2662191165994585
Energy: 1.3135282305749614
Energy: 1.2662191165994585
Energy: 1.3147647531097004
Energy: 1.2886263949760175
Energy: 1.3147647531090603
Energy: 1.2886263949760175
Energy: 1.3147647531097004
Energy: 1.2886263949760175
Energy: 1.3009269602393818
Energy: 1.5047363498353339
Energy: 1.3009269602393818
Energy: 1.5047363498353339
Energy: 1.3009269602393818
Energy: 1.5047363498353339
Energy: 1.3122723009658048
Energy: 1.2732248389184533
Energy: 1.3122723009658048
Energy: 1.2732248389184533
Energy: 1.3122723009658048
Energy: 1.2732248389184533
Energy: 1.2658296786958916
Energy: 1.290304079078802
Energy: 1.2658296786958916
Energy: 1.290304079078802
Energy: 1.2658296786958916
Energy: 1.290304079078802
Energy: 1.294642278434446
Energy: 1.2735391216682463
Energy: 1.294642278434446
Energy: 1.2735391216682463
Energy: 1.294642278434446
Energy: 1.2735391216682463
Energy: 1.3228034390438246
Energy: 1.2770763845873507
Energy: 1.3228034390438246
Energy: 1.2770763845873507
Energy: 1.3228034390438246
Energy: 1.2770763845873507
Energy: 1.482329835443304
Energy: 1.273293356562339
Energy: 1.482329835443304
Energy: 1.273293356562339
Energy: 1.482329835442664
Energy: 1.273293356562339
Energy: 1.305703468776921
Energy: 1.292971987654974
Energy: 1.305703468776921
Energy: 1.292971987654974
Energy: 1.305703468776921
Energy: 1.292971987654974
Energy: 1.308934027645714
Energy: 1.3651325713736207
Energy: 1.308934027645714
Energy: 1.3651325713736207
Energy: 1.308934027645714
Energy: 1.3651325713736207
Energy: 1.3586541817765663
Energy: 1.3247966618913283
Energy: 1.3586541817765663
Energy: 1.3247966618913283
Energy: 1.3586541817765663
Energy: 1.3247966618913283
Energy: 1.2980672822529498
Energy: 1.3088266810915836
Energy: 1.2980672822529498
Energy: 1.3088266810915836
Energy: 1.2980672822529498
Energy: 1.3088266810915836
Energy: 1.2650142618116804
Energy: 1.4799191734247747
Energy: 1.2650142618110403
Energy: 1.4799191734247747
Energy: 1.2650142618110403
Energy: 1.4799191734247747
Energy: 1.3456343909539266
Energy: 1.2830027623976834
Energy: 1.3456343909539266
Energy: 1.283002762397043
Energy: 1.3456343909539266
Energy: 1.283002762397043
Energy: 1.3683606349147768
Energy: 1.2808037165612303
Energy: 1.3683606349141364
Energy: 1.2808037165612303
Energy: 1.3683606349141364
Energy: 1.2808037165612303
Energy: 1.2937361489132788
Energy: 1.411185892494746
Energy: 1.2937361489132788
Energy: 1.411185892494746
Energy: 1.2937361489132788
Energy: 1.411185892494746
Energy: 1.2961766404619204
Energy: 1.2697656460035776
Energy: 1.2961766404619204
Energy: 1.269765646002937
Energy: 1.2961766404619204
Energy: 1.2697656460035776
Energy: 1.2921961821831367
Energy: 1.2975823659561765
Energy: 1.2921961821831367
Energy: 1.297582365955536
Energy: 1.2921961821831367
Energy: 1.2975823659561765
Energy: 1.26965639176274
Energy: 1.28529958263991
Energy: 1.26965639176274
Energy: 1.28529958263991
Energy: 1.26965639176274
Energy: 1.28529958263991
Energy: 1.3139565608303787
Energy: 1.3112131381820076
Energy: 1.3139565608303787
Energy: 1.3112131381820076
Energy: 1.3139565608303787
Energy: 1.3112131381820076
Energy: 1.314159151136945
Energy: 1.3207667857835812
Energy: 1.314159151136945
Energy: 1.3207667857835812
Energy: 1.314159151136945
Energy: 1.3207667857835812

minimum gb energy = 1.2650142618110403 eV
minimum distance =  2.27045374052245 Angstroms
sigma value = 101


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

Energy: 1.3921652172759553
Energy: 1.2653782383021561
Energy: 1.3921652172759553
Energy: 1.2653782383021561
Energy: 1.3921652172759553
Energy: 1.2653782383021561
Energy: 1.3454008470087198
Energy: 1.3127880800343124
Energy: 1.3454008470087198
Energy: 1.3127880800343124
Energy: 1.3454008470087198
Energy: 1.3127880800343124
Energy: 1.2464182999314144
Energy: 1.2954994156021014
Energy: 1.2464182999314144
Energy: 1.2954994156021014
Energy: 1.2464182999314144
Energy: 1.2954994156021014
Energy: 1.301064459084547
Energy: 1.3019385558152907
Energy: 1.3010644590839842
Energy: 1.3019385558147276
Energy: 1.3010644590839842
Energy: 1.3019385558147276
Energy: 1.2937328363036766
Energy: 1.2540447296683184
Energy: 1.2937328363036766
Energy: 1.254044729668881
Energy: 1.2937328363036766
Energy: 1.2540447296683184
Energy: 1.2424264898000503
Energy: 1.311497939486768
Energy: 1.2424264898000503
Energy: 1.311497939486768
Energy: 1.2424264898000503
Energy: 1.311497939486768
Energy: 1.3159812995911864
Energy: 1.3291517303550378
Energy: 1.3159812995906233
Energy: 1.3291517303550378
Energy: 1.3159812995906233
Energy: 1.3291517303550378
Energy: 1.2948223690350178
Energy: 1.2816113944209735
Energy: 1.2948223690350178
Energy: 1.2816113944209735
Energy: 1.2948223690350178
Energy: 1.2816113944209735
Energy: 1.2412352935378286
Energy: 1.3208587763948012
Energy: 1.2412352935378286
Energy: 1.3208587763948012
Energy: 1.2412352935383915
Energy: 1.3208587763948012
Energy: 1.2961172185093353
Energy: 1.3460584628386958
Energy: 1.2961172185093353
Energy: 1.3460584628392587
Energy: 1.2961172185093353
Energy: 1.3460584628386958
Energy: 1.2934235549880975
Energy: 1.4549899494246339
Energy: 1.2934235549880975
Energy: 1.4549899494246339
Energy: 1.2934235549880975
Energy: 1.4549899494246339
Energy: 1.5391602979623085
Energy: 1.3159355304454166
Energy: 1.5391602979623085
Energy: 1.3159355304454166
Energy: 1.5391602979628716
Energy: 1.3159355304454166
Energy: 1.241128768997859
Energy: 1.2876808472191683
Energy: 1.241128768997859
Energy: 1.2876808472191683
Energy: 1.241128768997859
Energy: 1.2876808472191683
Energy: 1.3779458809747396
Energy: 1.374936917031338
Energy: 1.3779458809747396
Energy: 1.374936917031338
Energy: 1.3779458809747396
Energy: 1.374936917031338
Energy: 1.3479029699323577
Energy: 1.2776146538594755
Energy: 1.3479029699323577
Energy: 1.2776146538594755
Energy: 1.3479029699323577
Energy: 1.2776146538594755
Energy: 1.2449769992839663
Energy: 1.2866116821177147
Energy: 1.2449769992839663
Energy: 1.2866116821177147
Energy: 1.2449769992839663
Energy: 1.2866116821177147
Energy: 1.3007562589672965
Energy: 1.3510430106308164
Energy: 1.3007562589672965
Energy: 1.3510430106308164
Energy: 1.3007562589672965
Energy: 1.3510430106308164
Energy: 1.2795883898007279
Energy: 1.253839751111434
Energy: 1.2795883898007279
Energy: 1.253839751111434
Energy: 1.2795883898007279
Energy: 1.253839751111434
Energy: 1.2399222093738849
Energy: 1.3201070839655913
Energy: 1.2399222093738849
Energy: 1.3201070839655913
Energy: 1.2399222093738849
Energy: 1.3201070839655913
Energy: 1.3168263539559613
Energy: 1.2966575325453058
Energy: 1.3168263539559613
Energy: 1.2966575325453058
Energy: 1.3168263539559613
Energy: 1.2966575325453058
Energy: 1.300119736563158
Energy: 1.3683233400478687
Energy: 1.300119736563158
Energy: 1.3683233400478687
Energy: 1.300119736563158
Energy: 1.3683233400473058
Energy: 1.5265488916508376
Energy: 1.286147860231619
Energy: 1.5265488916508376
Energy: 1.286147860231619
Energy: 1.5265488916508376
Energy: 1.286147860231619
Energy: 1.332822666700441
Energy: 1.2870047273083174
Energy: 1.332822666700441
Energy: 1.2870047273077545
Energy: 1.332822666700441
Energy: 1.2870047273083174
Energy: 1.3009825801369856
Energy: 1.280781532298664
Energy: 1.3009825801369856
Energy: 1.280781532298664
Energy: 1.3009825801369856
Energy: 1.280781532299227
Energy: 1.3447391556849932
Energy: 1.2778650809484589
Energy: 1.3447391556849932
Energy: 1.2778650809484589
Energy: 1.3447391556849932
Energy: 1.2778650809484589
Energy: 1.2391075289654732
Energy: 1.2864406701874245
Energy: 1.2391075289654732
Energy: 1.2864406701874245
Energy: 1.2391075289649103
Energy: 1.2864406701879871
Energy: 1.342891262493495
Energy: 1.3108702961873473
Energy: 1.3428912624929323
Energy: 1.3108702961873473
Energy: 1.342891262493495
Energy: 1.3108702961873473
Energy: 1.3434933663857853
Energy: 1.281034998029369
Energy: 1.3434933663857853
Energy: 1.281034998029369
Energy: 1.3434933663857853
Energy: 1.281034998029369
Energy: 1.2806039219699772
Energy: 1.316246246596768
Energy: 1.280603921971103
Energy: 1.316246246596768
Energy: 1.28060392197054
Energy: 1.316246246596768
Energy: 1.2811276048623084
Energy: 1.2812143524637114
Energy: 1.2811276048623084
Energy: 1.2812143524637114
Energy: 1.2811276048623084
Energy: 1.2812143524642745
Energy: 1.3003866010496834
Energy: 1.2698365880348217
Energy: 1.3003866010496834
Energy: 1.2698365880348217
Energy: 1.3003866010496834
Energy: 1.2698365880348217
Energy: 1.3355157000174505
Energy: 1.2863730968892453
Energy: 1.3355157000174505
Energy: 1.2863730968892453
Energy: 1.3355157000174505
Energy: 1.2863730968886824
Energy: 1.3331623705578022
Energy: 1.2870615572854753
Energy: 1.3331623705578022
Energy: 1.2870615572854753
Energy: 1.3331623705578022
Energy: 1.2870615572854753

minimum gb energy = 1.2391075289649103 eV
minimum distance =  2.28923551888485 Angstroms
sigma value = 33


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

Energy: 0.01130528266161653
Energy: 1.002368110366025
Energy: 0.01130528266161653
Energy: 1.0023681103664666
Energy: 0.01130528266161653
Energy: 1.002368110366025
Energy: 0.012202401440282727
Energy: 0.4590142972909411
Energy: 0.012202401440282727
Energy: 0.4590142972909411
Energy: 0.012202401440282727
Energy: 0.4590142972909411
Energy: 1.0022662907298878
Energy: 0.4607123448469143
Energy: 1.0022662124135229
Energy: 0.4607123448469143
Energy: 1.0022662032750127
Energy: 0.4607123448469143
Energy: 0.012202401440282727
Energy: 0.4590142972909411
Energy: 0.012202401440282727
Energy: 0.4590142972909411
Energy: 0.012202401440282727
Energy: 0.4590142972909411

minimum gb energy = 0.01130528266161653 eV
minimum distance =  2.48322602430876 Angstroms
sigma value = 1