Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004_Ni__MO_110256178378_005
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=3.5196183800697343
cohesive_energy=4.450347496491574
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: 2.38418579101562e-07 eV

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

Energy: 0.018324570291396863
Energy: 1.0311322055178052
Energy: 0.018324570291396863
Energy: 1.0311322055174745
Energy: 0.018324570291396863
Energy: 1.0311322055174745
Energy: 1.0311322055178052
Energy: 0.5300559693942951
Energy: 1.0311322055174745
Energy: 0.5300559693942951
Energy: 1.0311322055181362
Energy: 1.0917287106640385
Energy: 0.018324570291396863
Energy: 1.0311322055178052
Energy: 0.018324570291396863
Energy: 1.0311322055178052
Energy: 0.018324570291396863
Energy: 1.0311322055178052
Energy: 1.0311322055171437
Energy: 0.5300559693946258
Energy: 1.0311322055174745
Energy: 1.0554914092341796
Energy: 1.0311322055181362
Energy: 1.3189265551817517
Energy: 0.018324570291396863
Energy: 1.0311322055178052
Energy: 0.018324570291396863
Energy: 1.0311322055178052
Energy: 0.018324570291396863
Energy: 1.0311322055181362
Energy: 1.0311322055181362
Energy: 1.0917287106501437
Energy: 1.0311322055178052
Energy: 1.3189265551824134
Energy: 1.0311322055178052
Energy: 1.0917287106601423

minimum gb energy = 0.018324570291396863 eV
minimum distance =  2.28995319763953 Angstroms
sigma value = 1


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

Energy: 1.2828655922163048
Energy: 1.2252546602793637
Energy: 1.2828655922155083
Energy: 1.2252546602785674
Energy: 1.2828655922147119
Energy: 1.2252546602785674
Energy: 1.3792279883342022
Energy: 1.1424315298239902
Energy: 1.3792279883349987
Energy: 1.1424315298239902
Energy: 1.379227988331813
Energy: 1.1424315298239902
Energy: 1.2529937809751384
Energy: 1.2750433230387321
Energy: 1.2529937809751384
Energy: 1.2750433230443066
Energy: 1.2529937809743419
Energy: 1.2750433230395286
Energy: 1.3722300351587686
Energy: 1.190386054915294
Energy: 1.372230035161954
Energy: 1.190386054915294
Energy: 1.3722300351627505
Energy: 1.1903860549160905
Energy: 1.2269738642228867
Energy: 1.3303296824713642
Energy: 1.2269738642197012
Energy: 1.3303296824713642
Energy: 1.2269738642228867
Energy: 1.3303296824697712
Energy: 1.2925391823142036
Energy: 1.1527580578120427
Energy: 1.2925391823142036
Energy: 1.152758057812839
Energy: 1.2925391823142036
Energy: 1.1527580578152283
Energy: 1.1832510401693122
Energy: 1.2571123537775772
Energy: 1.1832510401661265
Energy: 1.25711235377917
Energy: 1.183251040164534
Energy: 1.2571123537799664
Energy: 1.1845880281608887
Energy: 1.3532086038842681
Energy: 1.1845880281616852
Energy: 1.3532086038858608
Energy: 1.1845880281624814
Energy: 1.3532086038882496
Energy: 1.3197954573863255
Energy: 1.2670255156528962
Energy: 1.3197954573863255
Energy: 1.2670255156528962
Energy: 1.3197954573871218
Energy: 1.2670255156528962
Energy: 1.1243060661898439
Energy: 1.3350627112978677
Energy: 1.1243060661898439
Energy: 1.335062711302646
Energy: 1.1243060661906403
Energy: 1.335062711302646
Energy: 1.2788580950282107
Energy: 1.1525577277298606
Energy: 1.2788580950290072
Energy: 1.1525577277298606
Energy: 1.2788580950290072
Energy: 1.1525577277290642
Energy: 1.1080576502860948
Energy: 1.2631295398742228
Energy: 1.1080576502860948
Energy: 1.263129539863074
Energy: 1.1080576502852983
Energy: 1.263129539856703
Energy: 1.3940066818459003
Energy: 1.105372886338487
Energy: 1.3940066818459003
Energy: 1.105372886338487
Energy: 1.3940066818451038
Energy: 1.105372886338487
Energy: 1.1735747805883772
Energy: 1.20995619081731
Energy: 1.1735747805883772
Energy: 1.20995619081731
Energy: 1.1735747805883772
Energy: 1.2099561908181062
Energy: 1.4177937557236127
Energy: 1.135064285420145
Energy: 1.4177937557299836
Energy: 1.1350642854209412
Energy: 1.4177937557260019
Energy: 1.1350642854193485
Energy: 1.4175142533490752
Energy: 1.2805177419482214
Energy: 1.4175142533490752
Energy: 1.2805177419529996
Energy: 1.4175142533490752
Energy: 1.2805177419522031
Energy: 1.2441247611956043
Energy: 1.2449477130301798
Energy: 1.2441247611924189
Energy: 1.2449477130309763
Energy: 1.2441247611932154
Energy: 1.2449477130333655
Energy: 1.244046395509165
Energy: 1.2022825357564386
Energy: 1.2440463955019976
Energy: 1.2022825357556421
Energy: 1.244046395502794
Energy: 1.2022825357540494
Energy: 1.23745307096074
Energy: 1.1899380838574123
Energy: 1.23745307096074
Energy: 1.189938083859005
Energy: 1.23745307096074
Energy: 1.1899380838574123
Energy: 1.289009487263956
Energy: 1.1527970349202512
Energy: 1.289009487259974
Energy: 1.1527970349210477
Energy: 1.2890094872583813
Energy: 1.1527970349186587
Energy: 1.153084740950048
Energy: 1.3666520975197516
Energy: 1.153084740950048
Energy: 1.3666520975229368
Energy: 1.1530847409492517
Energy: 1.3666520975261225
Energy: 1.2942718076175224
Energy: 1.2595739094970533
Energy: 1.2942718076159299
Energy: 1.2595739094970533
Energy: 1.2942718076159299
Energy: 1.2595739094970533
Energy: 1.1248305781708317
Energy: 1.372462689493537
Energy: 1.1248305781708317
Energy: 1.372462689493537
Energy: 1.1248305781708317
Energy: 1.372462689493537

minimum gb energy = 1.105372886338487 eV
minimum distance =  2.22768936997834 Angstroms
sigma value = 33


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

Energy: 1.2749284395019889
Energy: 1.3322295317562665
Energy: 1.2749284395024418
Energy: 1.3322295317562665
Energy: 1.2749284395024418
Energy: 1.3322295317580783
Energy: 1.3096176540079338
Energy: 1.1962191662561916
Energy: 1.3096176540056692
Energy: 1.1962191662557384
Energy: 1.309617654006122
Energy: 1.1962191662557384
Energy: 1.092349103566851
Energy: 1.195584248309583
Energy: 1.0923491035691157
Energy: 1.1955842483127537
Energy: 1.092349103569569
Energy: 1.1955842483127537
Energy: 1.2993717231917108
Energy: 1.3010037889046142
Energy: 1.2993717231917108
Energy: 1.301003788905973
Energy: 1.299371723192617
Energy: 1.301003788907785
Energy: 1.1974901528651698
Energy: 1.264563994830096
Energy: 1.1974901528633577
Energy: 1.2645639948346257
Energy: 1.1974901528638107
Energy: 1.264563994830096
Energy: 1.1949961297329614
Energy: 1.0924187172137962
Energy: 1.1949961297320555
Energy: 1.09241871721289
Energy: 1.1949961297320555
Energy: 1.092418717213343
Energy: 1.3332976493493989
Energy: 1.2752824479252123
Energy: 1.3332976493539286
Energy: 1.27528244792793
Energy: 1.333297649347587
Energy: 1.2752824479256653
Energy: 1.0915090921994135
Energy: 1.2761657462346434
Energy: 1.0915090921998667
Energy: 1.2761657462314728
Energy: 1.0915090921998667
Energy: 1.276165746228755
Energy: 1.1709473271208102
Energy: 1.0962266930161197
Energy: 1.1709473271221695
Energy: 1.0962266930161197
Energy: 1.1709473271212634
Energy: 1.0962266930165727
Energy: 1.0759892099320836
Energy: 1.2116035594617673
Energy: 1.0759892099311776
Energy: 1.2116035594581434
Energy: 1.0759892099316306
Energy: 1.2116035594558787
Energy: 1.2115286181765157
Energy: 1.0804604250592413
Energy: 1.2115286181837635
Energy: 1.0804604250592413
Energy: 1.2115286181814986
Energy: 1.0804604250592413
Energy: 1.092397906203994
Energy: 1.1703487483246344
Energy: 1.092397906203994
Energy: 1.1703487483246344
Energy: 1.092397906202635
Energy: 1.1703487483246344
Energy: 1.2775332800817514
Energy: 1.0906388750921656
Energy: 1.2775332800858281
Energy: 1.0906388750926188
Energy: 1.2775332800889987
Energy: 1.0906388750930718
Energy: 1.2870178985503977
Energy: 1.3380305620271185
Energy: 1.2870178985499447
Energy: 1.3380305620275714
Energy: 1.2870178985503977
Energy: 1.3380305620239477
Energy: 1.2089418520147304
Energy: 1.1953216159629727
Energy: 1.2089418520120123
Energy: 1.195321615958896
Energy: 1.2089418520083888
Energy: 1.1953216159584432
Energy: 1.0923941230423726
Energy: 1.195755588822895
Energy: 1.0923941230423726
Energy: 1.195755588823801
Energy: 1.0923941230414669
Energy: 1.195755588824707
Energy: 1.3093890857210888
Energy: 1.3021678957929224
Energy: 1.309389085718824
Energy: 1.3021678957942815
Energy: 1.309389085717465
Energy: 1.3021678957920166
Energy: 1.1951990339832035
Energy: 1.0922256248230038
Energy: 1.1951990339868273
Energy: 1.0922256248230038
Energy: 1.195199033989092
Energy: 1.0922256248225506
Energy: 1.1970862145128627
Energy: 1.2093532348148417
Energy: 1.197086214511051
Energy: 1.2093532348207303
Energy: 1.1970862145124097
Energy: 1.2093532348193714
Energy: 1.3336040786318604
Energy: 1.2782877281725156
Energy: 1.3336040786327663
Energy: 1.2782877281725156
Energy: 1.3336040786323133
Energy: 1.2782877281720626
Energy: 1.088969669134072
Energy: 1.315813642147917
Energy: 1.088969669134072
Energy: 1.3158136421578823
Energy: 1.0889696691345248
Energy: 1.3158136421560704
Energy: 1.1953082854159183
Energy: 1.096578926485034
Energy: 1.1953082854141066
Energy: 1.0965789264845813
Energy: 1.1953082854145594
Energy: 1.0965789264845813
Energy: 1.0763701082576456
Energy: 1.2125166430607741
Energy: 1.0763701082571926
Energy: 1.2125166433011767
Energy: 1.0763701082562867
Energy: 1.2125166432455028
Energy: 1.2107212752461074
Energy: 1.1950479629930828
Energy: 1.2107212752529022
Energy: 1.195047962993989
Energy: 1.2107212752479195
Energy: 1.195047962994895
Energy: 1.0923252202894709
Energy: 1.1706403393960594
Energy: 1.092325220289018
Energy: 1.1706403393996831
Energy: 1.092325220289018
Energy: 1.1706403393942475
Energy: 1.2755714999340892
Energy: 1.3046785536266134
Energy: 1.2755714999336363
Energy: 1.3046785536194068
Energy: 1.2755714999331833
Energy: 1.3046785536270662
Energy: 1.27558144763597
Energy: 1.3046625788586612
Energy: 1.2755814476395937
Energy: 1.3046625788645498
Energy: 1.2755814476373288
Energy: 1.304662578857755
Energy: 1.0923951268854688
Energy: 1.1708577409960028
Energy: 1.092395126886828
Energy: 1.1708577409973615
Energy: 1.092395126887281
Energy: 1.1708577409964558
Energy: 1.2114409076502486
Energy: 1.1950840540020582
Energy: 1.2114409076529662
Energy: 1.1950840540016052
Energy: 1.211440907657043
Energy: 1.1950840540020582
Energy: 1.0763675448764993
Energy: 1.2127837667319785
Energy: 1.0763675448783112
Energy: 1.212783769168331
Energy: 1.0763675448787642
Energy: 1.2127837715154897
Energy: 1.1950202225039563
Energy: 1.0965706807350533
Energy: 1.195020222510298
Energy: 1.0965706807346005
Energy: 1.1950202225116568
Energy: 1.0965706807355062
Energy: 1.0887470981669443
Energy: 1.3155377916962931
Energy: 1.08874709816785
Energy: 1.3155377916935755
Energy: 1.088747098166491
Energy: 1.3155377916926694
Energy: 1.333588732913022
Energy: 1.2783046491508263
Energy: 1.333588732910304
Energy: 1.2783046491508263
Energy: 1.3335887329116631
Energy: 1.2783046491508263
Energy: 1.1967725489437018
Energy: 1.2093825856927067
Energy: 1.196772548940984
Energy: 1.2093825857013132
Energy: 1.1967725489396253
Energy: 1.2093825856976894
Energy: 1.1952166825572446
Energy: 1.0925045532344126
Energy: 1.1952166825545267
Energy: 1.0925045532344126
Energy: 1.1952166825540738
Energy: 1.0925045532339597
Energy: 1.3092845150824959
Energy: 1.3021758562121204
Energy: 1.309284515081137
Energy: 1.3021758562112145
Energy: 1.309284515082043
Energy: 1.3021758562112145
Energy: 1.0923715393856002
Energy: 1.1956542651073223
Energy: 1.0923715393856002
Energy: 1.1956542651018869
Energy: 1.0923715393856002
Energy: 1.1956542651014337
Energy: 1.2088305203652006
Energy: 1.1954259702584507
Energy: 1.2088305203579532
Energy: 1.1954259702561856
Energy: 1.2088305203579532
Energy: 1.1954259702598096
Energy: 1.2870173872094535
Energy: 1.3380070879490613
Energy: 1.2870173872099064
Energy: 1.3380070879477026
Energy: 1.2870173872108122
Energy: 1.3380070879467962
Energy: 1.2775086753178262
Energy: 1.0906006066952596
Energy: 1.2775086753205438
Energy: 1.0906006066957123
Energy: 1.277508675319638
Energy: 1.0906006066952596
Energy: 1.0924073583054186
Energy: 1.170278841516318
Energy: 1.0924073583040597
Energy: 1.170278841515865
Energy: 1.0924073583045126
Energy: 1.170278841515865

minimum gb energy = 1.0759892099311776 eV
minimum distance =  2.33955025070753 Angstroms
sigma value = 51


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

Energy: 1.2613725818592694
Energy: 1.2801668766196461
Energy: 1.26137258185822
Energy: 1.2801668766196461
Energy: 1.2613725818592694
Energy: 1.2801668766196461
Energy: 1.3603805409137055
Energy: 1.2029021257313137
Energy: 1.3603805409126561
Energy: 1.2029021257313137
Energy: 1.360380540910557
Energy: 1.2029021257313137
Energy: 1.2039564198680084
Energy: 1.2635926176099972
Energy: 1.2039564198669586
Energy: 1.2635926176089478
Energy: 1.2039564198659092
Energy: 1.263592617611047
Energy: 1.2512076284277664
Energy: 1.112467001897494
Energy: 1.2512076284256675
Energy: 1.1124670018985436
Energy: 1.2512076284277664
Energy: 1.1124670018985436
Energy: 1.2764194725565963
Energy: 1.2177757574995294
Energy: 1.2764194725555469
Energy: 1.217775757502678
Energy: 1.2764194725544973
Energy: 1.2177757574995294
Energy: 1.2742426563644984
Energy: 1.2178621736044628
Energy: 1.2742426563603004
Energy: 1.2178621736076114
Energy: 1.2742426563613498
Energy: 1.217862173606562
Energy: 1.213297490451167
Energy: 1.2179660133945132
Energy: 1.213297490451167
Energy: 1.2179660133934636
Energy: 1.213297490451167
Energy: 1.2179660133934636
Energy: 1.169542418507157
Energy: 1.218781553857523
Energy: 1.1695424185061074
Energy: 1.2187815538522757
Energy: 1.1695424185061074
Energy: 1.218781553855424
Energy: 1.4286594509029158
Energy: 1.1082649649886962
Energy: 1.4286594509029158
Energy: 1.1082649649886962
Energy: 1.4286594509018662
Energy: 1.1082649649886962
Energy: 1.1340987743720001
Energy: 1.433170536178697
Energy: 1.1340987743720001
Energy: 1.4331705361776474
Energy: 1.1340987743720001
Energy: 1.433170536178697
Energy: 1.3485146351239554
Energy: 1.121392355943837
Energy: 1.3485146351239554
Energy: 1.121392355943837
Energy: 1.3485146351239554
Energy: 1.121392355943837
Energy: 1.2586455752008578
Energy: 1.2831043311501804
Energy: 1.2586455752008578
Energy: 1.2831043311501804
Energy: 1.2586455752019072
Energy: 1.2831043311501804
Energy: 1.3560041321942353
Energy: 1.2010361016275724
Energy: 1.3560041321952847
Energy: 1.2010361016275724
Energy: 1.3560041321921363
Energy: 1.201036101626523
Energy: 1.203990234721238
Energy: 1.1904637837308574
Energy: 1.2039902347201887
Energy: 1.190463783731859
Energy: 1.2039902347201887
Energy: 1.1904637837298078
Energy: 1.2522870833403503
Energy: 1.2628087994728574
Energy: 1.2522870833403503
Energy: 1.2628087994728574
Energy: 1.2522870833403503
Energy: 1.2628087994728574
Energy: 1.2742942031666862
Energy: 1.2176835544450264
Energy: 1.2742942031708844
Energy: 1.2176835544429274
Energy: 1.2742942031677358
Energy: 1.2176835544429274
Energy: 1.2763096873131325
Energy: 1.317984111643913
Energy: 1.2763096873131325
Energy: 1.317984111646012
Energy: 1.276309687314182
Energy: 1.317984111643913
Energy: 1.2524240647451177
Energy: 1.2226373444618348
Energy: 1.2524240647451177
Energy: 1.2226373444618348
Energy: 1.2524240647451177
Energy: 1.2226373444618348

minimum gb energy = 1.1082649649886962 eV
minimum distance =  2.22287104401051 Angstroms
sigma value = 19


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

Energy: 1.053380180459967
Energy: 1.082209783120603
Energy: 1.0533801804593443
Energy: 1.0822097831212256
Energy: 1.0533801804593443
Energy: 1.082209783120603
Energy: 1.218326938087611
Energy: 1.260590431915811
Energy: 1.218326938086366
Energy: 1.260590431915811
Energy: 1.2183269380801405
Energy: 1.260590431915811
Energy: 1.0167366690306432
Energy: 1.2596936703505408
Energy: 1.0167366690306432
Energy: 1.2596936703480508
Energy: 1.0167366690306432
Energy: 1.2596936703511634
Energy: 1.1125716409779063
Energy: 1.0167842870314092
Energy: 1.1125716409766613
Energy: 1.0167842870320318
Energy: 1.1125716409785287
Energy: 1.0167842870314092
Energy: 1.0404914429930008
Energy: 1.0516751094869254
Energy: 1.0404914429948682
Energy: 1.0516751094869254
Energy: 1.0404914429954908
Energy: 1.0516751094869254
Energy: 1.040464549714589
Energy: 1.0516137535067827
Energy: 1.040464549714589
Energy: 1.0516137535067827
Energy: 1.040464549714589
Energy: 1.0516137535067827
Energy: 1.1125821748473421
Energy: 1.0167632194331477
Energy: 1.1125821748479647
Energy: 1.0167632194337701
Energy: 1.1125821748473421
Energy: 1.016763219434393
Energy: 1.016731794832397
Energy: 1.2596370193475186
Energy: 1.0167317948330197
Energy: 1.2596370193487634
Energy: 1.016731794832397
Energy: 1.2596370193469242
Energy: 1.2160612335025236
Energy: 1.2606087047414742
Energy: 1.2160612335000331
Energy: 1.2606087047408518
Energy: 1.2160612334956755
Energy: 1.2606087047414742
Energy: 1.0533801804593443
Energy: 1.082209783120603
Energy: 1.0533801804593443
Energy: 1.082209783120603
Energy: 1.0533801804593443
Energy: 1.082209783120603
Energy: 1.2183269380907238
Energy: 1.2605904319164336
Energy: 1.2183269380838757
Energy: 1.260590431915811
Energy: 1.2183269380801405
Energy: 1.2605904319151886
Energy: 1.0167366690300206
Energy: 1.2596936703505408
Energy: 1.0167366690306432
Energy: 1.259693670347428
Energy: 1.0167366690300206
Energy: 1.259693670351786
Energy: 1.1125716409791513
Energy: 1.0167842870314092
Energy: 1.112571640979774
Energy: 1.0167842870314092
Energy: 1.1125716409766613
Energy: 1.0167842870314092
Energy: 1.0404914429936232
Energy: 1.0516751094869254
Energy: 1.0404914429954908
Energy: 1.0516751094869254
Energy: 1.0404914429948682
Energy: 1.0516751094869254
Energy: 1.0404645497152116
Energy: 1.0516137535055374
Energy: 1.0404645497152116
Energy: 1.0516137535055374
Energy: 1.040464549714589
Energy: 1.0516137535055374
Energy: 1.1125821748467195
Energy: 1.0167632194337701
Energy: 1.1125821748473421
Energy: 1.0167632194337701
Energy: 1.1125821748479647
Energy: 1.0167632194331477
Energy: 1.016731794832397
Energy: 1.2596370193475186
Energy: 1.016731794832397
Energy: 1.259637019348141
Energy: 1.016731794832397
Energy: 1.2596370193463016
Energy: 1.2160612335006558
Energy: 1.2606087047408518
Energy: 1.2160612334987884
Energy: 1.2606087047414742
Energy: 1.2160612334962981
Energy: 1.2606087047414742
Energy: 1.053380180459967
Energy: 1.082209783120603
Energy: 1.0533801804587217
Energy: 1.082209783120603
Energy: 1.0533801804593443
Energy: 1.0822097831212256
Energy: 1.218326938087611
Energy: 1.2605904319164336
Energy: 1.2183269380820079
Energy: 1.2605904319151886
Energy: 1.2183269380801405
Energy: 1.2605904319151886
Energy: 1.0167366690306432
Energy: 1.2596936703505408
Energy: 1.0167366690300206
Energy: 1.2596936703486734
Energy: 1.0167366690300206
Energy: 1.2596936703511634
Energy: 1.112571640981019
Energy: 1.0167842870314092
Energy: 1.112571640979774
Energy: 1.0167842870320318
Energy: 1.112571640979774
Energy: 1.0167842870314092
Energy: 1.0404914429973584
Energy: 1.0516751094863315
Energy: 1.0404914429948682
Energy: 1.0516751094869254
Energy: 1.0404914429936232
Energy: 1.0516751094869254
Energy: 1.0404645497152116
Energy: 1.0516137535049148
Energy: 1.040464549714589
Energy: 1.0516137535055374
Energy: 1.0404645497152116
Energy: 1.0516137535049148
Energy: 1.1125821748473421
Energy: 1.0167632194331477
Energy: 1.1125821748467195
Energy: 1.0167632194331477
Energy: 1.1125821748467195
Energy: 1.0167632194337701
Energy: 1.016731794832397
Energy: 1.2596370193475186
Energy: 1.016731794832397
Energy: 1.2596370193500086
Energy: 1.016731794832397
Energy: 1.259637019345679
Energy: 1.2160612334975431
Energy: 1.2606087047408518
Energy: 1.2160612335012784
Energy: 1.2606087047408518
Energy: 1.2160612334956755
Energy: 1.2606087047414742
Energy: 1.0533801804587217
Energy: 1.0822097831212256
Energy: 1.053380180459967
Energy: 1.082209783120603
Energy: 1.0533801804593443
Energy: 1.082209783120603
Energy: 1.218326938086366
Energy: 1.2605904319164336
Energy: 1.218326938080763
Energy: 1.260590431915811
Energy: 1.2183269380795179
Energy: 1.260590431915811
Energy: 1.0167366690306432
Energy: 1.2596936703499184
Energy: 1.0167366690306432
Energy: 1.2596936703480508
Energy: 1.0167366690300206
Energy: 1.2596936703511634

minimum gb energy = 1.016731794832397 eV
minimum distance =  2.24279685127759 Angstroms
sigma value = 27


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

Energy: 1.0420585095742267
Energy: 1.0094058835286117
Energy: 1.0420585095742267
Energy: 1.0094058835286117
Energy: 1.0420585095757517
Energy: 1.0094058835270867
Energy: 1.1878500810614778
Energy: 1.0494129810169768
Energy: 1.187850081059953
Energy: 1.0494129810154518
Energy: 1.187850081059953
Energy: 1.0494129810169768
Energy: 0.9759108447232918
Energy: 1.1830161887501258
Energy: 0.9759108447217669
Energy: 1.1830161887501258
Energy: 0.9759108447217669
Energy: 1.1830161887501258
Energy: 1.1629844032595158
Energy: 0.976338693592265
Energy: 1.1629844032595158
Energy: 0.976338693592265
Energy: 1.1629844032610406
Energy: 0.976338693592265
Energy: 1.1628483065937747
Energy: 0.976452323387748
Energy: 1.162848306590725
Energy: 0.976452323387748
Energy: 1.1628483065937747
Energy: 0.976452323387748
Energy: 1.1852840409744476
Energy: 1.2380320820249804
Energy: 1.1852840409729228
Energy: 1.2380320820265054
Energy: 1.1852840409774974
Energy: 1.2380320820249804
Energy: 0.9760272093273499
Energy: 1.0528917506227138
Energy: 0.9760272093258248
Energy: 1.0528917506227138
Energy: 0.9760272093258248
Energy: 1.0528917506227138
Energy: 1.0376868166267197
Energy: 1.0101858629350273
Energy: 1.0376868166267197
Energy: 1.0101858629350273
Energy: 1.0376868166267197
Energy: 1.0101858629350273
Energy: 1.1915758399831338
Energy: 1.0571846781282037
Energy: 1.1915758399831338
Energy: 1.0571846785656824
Energy: 1.1915758399831338
Energy: 1.057184678346198
Energy: 1.153075177459759
Energy: 1.1852957941001712
Energy: 1.153075177459759
Energy: 1.1852957940986464
Energy: 1.1530751774582342
Energy: 1.1852957940986464
Energy: 1.053791638591139
Energy: 0.9768981543433158
Energy: 1.0537916385896142
Energy: 0.9768981543433158
Energy: 1.053791638591139
Energy: 0.9768981543433158
Energy: 1.230887361424391
Energy: 1.1149078244496389
Energy: 1.230887361424391
Energy: 1.1149078244496389
Energy: 1.2308873614228661
Energy: 1.1149078244496389

minimum gb energy = 0.9759108447217669 eV
minimum distance =  2.21240576450841 Angstroms
sigma value = 9


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

Energy: 1.0360724906253724
Energy: 0.9954515205519654
Energy: 1.0360724906245153
Energy: 0.9954515205523937
Energy: 1.0360724906253724
Energy: 0.9954515205519654
Energy: 0.9972668402735171
Energy: 0.9233827417968596
Energy: 0.9972668402542363
Energy: 1.0017042398300122
Energy: 0.9972668402512371
Energy: 0.9563789639712843
Energy: 0.9253576331607352
Energy: 1.0320592316345822
Energy: 0.9253576331594497
Energy: 1.0320592316311545
Energy: 0.9253576331611636
Energy: 1.0320592316367245
Energy: 0.9471344136750514
Energy: 0.9092197589158781
Energy: 0.947134413672909
Energy: 0.9092197589154496
Energy: 0.9471344136741943
Energy: 0.9092197589150212
Energy: 1.0183729754364075
Energy: 0.9830763687595844
Energy: 1.0183729754364075
Energy: 0.9830763687582992
Energy: 1.0183729754372643
Energy: 0.9830763687582992
Energy: 1.0263302961679543
Energy: 0.9983079183250695
Energy: 1.0263302961670975
Energy: 0.998307918323823
Energy: 1.026330296161099
Energy: 1.0745575044770903
Energy: 0.9568507017889184
Energy: 1.065784161489896
Energy: 0.9568507017872044
Energy: 1.0657841614894676
Energy: 0.9568507017876329
Energy: 1.0657841614886105
Energy: 0.8858431008497579
Energy: 1.016832073550002
Energy: 0.8858431008493294
Energy: 1.0168320735495735
Energy: 0.8858431008493294
Energy: 1.0168320735495735
Energy: 1.0413256015914778
Energy: 0.9828014272742075
Energy: 1.041325601593192
Energy: 0.9828014272742075
Energy: 1.041325601597905
Energy: 0.9828014272737792
Energy: 1.016729249784788
Energy: 0.9477616836333885
Energy: 1.0167292497813603
Energy: 0.9477616836299606
Energy: 1.016729249780075
Energy: 0.9477616836346737
Energy: 0.9444733669921365
Energy: 0.9155852925038277
Energy: 0.9444733669891373
Energy: 0.9155852925038277
Energy: 0.9444733669917079
Energy: 0.9155852925038277
Energy: 0.973230873616699
Energy: 0.9766701158243052
Energy: 0.9732308736175559
Energy: 0.9766701158247336
Energy: 0.973230873616699
Energy: 0.9766701158255907
Energy: 0.9919415093434948
Energy: 0.993246167072748
Energy: 0.9919415093477797
Energy: 0.993246167073605
Energy: 0.9919415093477797
Energy: 0.9932461670718911
Energy: 1.0324861194209167
Energy: 1.0113717250697285
Energy: 1.0324861194213453
Energy: 1.0113717250688714
Energy: 1.0324861194239159
Energy: 1.0113717250693
Energy: 0.923217597640172
Energy: 1.0095344072606054
Energy: 0.923217597640172
Energy: 1.009534407261034
Energy: 0.9232175976397435
Energy: 1.0095344072606054
Energy: 0.9386898948113016
Energy: 1.0111931001349375
Energy: 0.9386898948108732
Energy: 1.0111931001422216
Energy: 0.9386898948091592
Energy: 1.0111931001405075
Energy: 1.1186828541081049
Energy: 0.9100866913858437
Energy: 1.1186828541123894
Energy: 0.9100866913867007
Energy: 1.1186828541072478
Energy: 0.9100866913845586
Energy: 0.9370992973790255
Energy: 0.9801519521131096
Energy: 0.937099297379454
Energy: 0.9801519521135381
Energy: 0.9370992973798826
Energy: 0.9801519521131096
Energy: 0.8819093596244676
Energy: 1.2295010624363967
Energy: 0.881909359625753
Energy: 1.2295010624355396
Energy: 0.8819093596244676
Energy: 1.2295010624338258
Energy: 1.0883710058851284
Energy: 1.026797516581555
Energy: 1.0883710058851284
Energy: 1.0538588078230666
Energy: 1.0883710058847
Energy: 0.9546166054341233
Energy: 0.8816017654279764
Energy: 1.2297737312842754
Energy: 0.8816017654301187
Energy: 1.2297737312868464
Energy: 0.8816017654301187
Energy: 1.2297737312898456
Energy: 0.9370606275068144
Energy: 0.9803916668149201
Energy: 0.9370606275085284
Energy: 0.9803916668144916
Energy: 0.9370606275068144
Energy: 0.9803916668149201
Energy: 1.159153981143368
Energy: 0.9101449933742211
Energy: 1.1591539811416542
Energy: 0.9101449933755065
Energy: 1.1591539811425111
Energy: 0.9101449933746495
Energy: 0.9385891110830131
Energy: 1.0112183538060016
Energy: 0.9385891110834417
Energy: 1.01121835380643
Energy: 0.9385891110800137
Energy: 1.0112183538030022
Energy: 0.9231882982195684
Energy: 1.0099319177352906
Energy: 0.92318829821914
Energy: 1.0099319177361472
Energy: 0.9231882982199969
Energy: 1.009931917735719
Energy: 1.0323557628976874
Energy: 1.011451735255329
Energy: 1.0323557629011153
Energy: 1.0114517352536148
Energy: 1.0323557628976874
Energy: 1.0114517352544716
Energy: 0.992062617918041
Energy: 0.9931896437670449
Energy: 0.9920626179120424
Energy: 0.993189643770044
Energy: 0.9920626179141848
Energy: 0.993189643764474
Energy: 0.973023877263021
Energy: 0.9765100660032475
Energy: 0.9730238772625925
Energy: 0.976510065998963
Energy: 0.9730238772643064
Energy: 0.9765100660002481
Energy: 0.9444970782859597
Energy: 0.9159342908219588
Energy: 0.9444970782876737
Energy: 0.9159342908219588
Energy: 0.9444970782846747
Energy: 0.9159342908219588
Energy: 1.0169872787392829
Energy: 0.9479387641147132
Energy: 1.0169872787379974
Energy: 0.9479387641108569
Energy: 1.0169872787371406
Energy: 0.9479387641091431
Energy: 1.0412303868383137
Energy: 0.9827022651484463
Energy: 1.0412303868246418
Energy: 0.9827022651493033
Energy: 1.0412303868297832
Energy: 0.9827022651484463
Energy: 0.8858687129450021
Energy: 1.0167914718379976
Energy: 0.885868712945859
Energy: 1.0167914718375692
Energy: 0.8858687129454306
Energy: 1.01679147184014
Energy: 0.9570462178266944
Energy: 1.0653845227034238
Energy: 0.9570462178228382
Energy: 1.0653845227034238
Energy: 0.9570462178232667
Energy: 1.065384522701281
Energy: 1.0261554884902941
Energy: 1.00791123148281
Energy: 1.0261554884941504
Energy: 1.0168076315520311
Energy: 1.0261554884950073
Energy: 0.9487381399720911
Energy: 1.0186028586952531
Energy: 0.9828066404264807
Energy: 1.0186028586948246
Energy: 0.9828066404264807
Energy: 1.0186028586948246
Energy: 0.9828066404264807
Energy: 0.9471570269728355
Energy: 0.9091865412933311
Energy: 0.947157026973264
Energy: 0.9091865412933311
Energy: 0.9471570269724071
Energy: 0.9091865412924741
Energy: 0.9251749445612214
Energy: 1.0320113207324277
Energy: 0.925174944560793
Energy: 1.0320113207328563
Energy: 0.9251749445603645
Energy: 1.0320113207315709
Energy: 0.9967985518326836
Energy: 0.9465998580925903
Energy: 0.9967985518373967
Energy: 0.9925446921813621
Energy: 0.9967985518356829
Energy: 0.9811705083462701
Energy: 1.0360724906283718
Energy: 0.9954515205515369
Energy: 1.0360724906262293
Energy: 0.9954515205511084
Energy: 1.0360724906275147
Energy: 0.9954515205511084
Energy: 0.9972668402516656
Energy: 0.9233827417955741
Energy: 0.9972668402478093
Energy: 0.9233827417951457
Energy: 0.997266840245667
Energy: 0.9233827417955741
Energy: 0.9253576331628776
Energy: 1.03205923163244
Energy: 0.9253576331624491
Energy: 1.0320592316328683
Energy: 0.9253576331628776
Energy: 1.032059231630726
Energy: 0.947134413672052
Energy: 0.9092197589141644
Energy: 0.9471344136741943
Energy: 0.9092197589145927
Energy: 0.947134413672909
Energy: 0.9092197589137359
Energy: 1.0183729754334083
Energy: 0.9830763687540144
Energy: 1.0183729754338366
Energy: 0.9830763687544428
Energy: 1.0183729754329798
Energy: 0.9830763687544428

minimum gb energy = 0.8816017654279764 eV
minimum distance =  2.27048186106906 Angstroms
sigma value = 57


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

Energy: 0.4605075576950144
Energy: 0.4734486088844292
Energy: 0.4605075576950144
Energy: 0.4734486088834538
Energy: 0.4605075576950144
Energy: 0.4734486088902813
Energy: 0.608695552958748
Energy: 0.46176646208814626
Energy: 0.6086955529597233
Energy: 0.46176646208814626
Energy: 0.608695552958748
Energy: 0.46176646208912164
Energy: 0.5254143194407128
Energy: 0.5883720625666043
Energy: 0.5254143194397375
Energy: 0.5883720625666043
Energy: 0.5254143194407128
Energy: 0.5883720625666043
Energy: 0.47516277148671493
Energy: 0.4605365912338444
Energy: 0.4751627714876903
Energy: 0.4605365912338444
Energy: 0.4751627714876903
Energy: 0.4605365912338444
Energy: 0.6089035724845181
Energy: 0.6146858280338425
Energy: 0.6089035724845181
Energy: 0.6146858280348179
Energy: 0.6089035724845181
Energy: 0.6146858280338425
Energy: 0.4607271274978987
Energy: 0.525328001403703
Energy: 0.4607271274978987
Energy: 0.525328001403703
Energy: 0.4607271274978987
Energy: 0.525328001403703
Energy: 0.460716764549007
Energy: 0.5253255247922015
Energy: 0.460716764549007
Energy: 0.5253255247931768
Energy: 0.4607167645480316
Energy: 0.5253255247931768
Energy: 0.6088891337886584
Energy: 0.6146675532391896
Energy: 0.608889133787683
Energy: 0.6146675532391896
Energy: 0.608889133787683
Energy: 0.6146675532391896
Energy: 0.4751696761478226
Energy: 0.46041178599843563
Energy: 0.4751696761478226
Energy: 0.4604117860003863
Energy: 0.4751696761478226
Energy: 0.46041178599843563
Energy: 0.525411048154079
Energy: 0.5886975054119371
Energy: 0.525411048154079
Energy: 0.5886975054119371
Energy: 0.525411048154079
Energy: 0.5886975054119371
Energy: 0.6086953838696546
Energy: 0.46191757727439214
Energy: 0.6086953838687235
Energy: 0.46191757727439214
Energy: 0.6086953838696546
Energy: 0.4619175772753675
Energy: 0.4605075576950144
Energy: 0.47344860888637985
Energy: 0.4605075576950144
Energy: 0.47344860888637985
Energy: 0.46050755769403906
Energy: 0.4734486088873552
Energy: 0.6086955529597233
Energy: 0.46176646208912164
Energy: 0.6086955529597233
Energy: 0.46176646208912164
Energy: 0.6086955529597233
Energy: 0.461766462090097
Energy: 0.5254143194397375
Energy: 0.5883720625675797
Energy: 0.5254143194407128
Energy: 0.5883720625675797
Energy: 0.5254143194407128
Energy: 0.5883720625666043
Energy: 0.47516277148671493
Energy: 0.46053659123286905
Energy: 0.4751627714876903
Energy: 0.46053659123286905
Energy: 0.4751627714876903
Energy: 0.4605365912348197
Energy: 0.6089035724825674
Energy: 0.6146858280348179
Energy: 0.6089035724825674
Energy: 0.6146858280348179
Energy: 0.6089035724835428
Energy: 0.6146858280348179
Energy: 0.4607271274978987
Energy: 0.525328001403703
Energy: 0.4607271274978987
Energy: 0.525328001403703
Energy: 0.4607271274978987
Energy: 0.525328001403703
Energy: 0.460716764549007
Energy: 0.5253255247931768
Energy: 0.460716764549007
Energy: 0.5253255247931768
Energy: 0.4607167645480316
Energy: 0.5253255247931768
Energy: 0.608889133787683
Energy: 0.6146675532391896
Energy: 0.6088891337867076
Energy: 0.6146675532391896
Energy: 0.608889133787683
Energy: 0.6146675532391896

minimum gb energy = 0.46041178599843563 eV
minimum distance =  2.40406638833445 Angstroms
sigma value = 11


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

Energy: 0.9031200796446435
Energy: 1.0022357337957364
Energy: 0.9031200796425003
Energy: 1.0022357337957364
Energy: 0.9031200796439292
Energy: 1.0022357337963859
Energy: 1.0378843885595135
Energy: 0.8896828940921462
Energy: 1.0378843885616567
Energy: 0.8896828940928605
Energy: 1.0378843885609421
Energy: 0.8896828940928605
Energy: 0.9117482149092773
Energy: 1.1680943158944173
Energy: 0.9117482149092773
Energy: 1.168094315893703
Energy: 0.9117482149107062
Energy: 1.1680943158951318
Energy: 0.9610620291636044
Energy: 0.8231677810775447
Energy: 0.9610620291621754
Energy: 0.8231677810775447
Energy: 0.9610620291571742
Energy: 0.8231677810775447
Energy: 0.8110629163768177
Energy: 0.7861666276778909
Energy: 0.8110629163768177
Energy: 0.7861666276771764
Energy: 0.8110629163746743
Energy: 0.7861666276778909
Energy: 0.9776152007824211
Energy: 0.8112770346432278
Energy: 0.9776152007831358
Energy: 0.8112770346439421
Energy: 0.9776152007838501
Energy: 0.8112770346439421
Energy: 0.8002731379450334
Energy: 0.8732025587178405
Energy: 0.8002731379436046
Energy: 0.8732025587399886
Energy: 0.8002731379464623
Energy: 0.8732025587206983
Energy: 1.0338034554428333
Energy: 0.7603622262542313
Energy: 1.0338034554449766
Energy: 0.7603622262542313
Energy: 1.0338034554449766
Energy: 0.7603622262542313
Energy: 1.0291274134562267
Energy: 0.7634905475141227
Energy: 1.0291274134562267
Energy: 0.7634905475141227
Energy: 1.0291274134569413
Energy: 0.763490547514837
Energy: 0.781640195999698
Energy: 1.0888574243516673
Energy: 0.781640195999698
Energy: 1.0888574243538107
Energy: 0.781640195999698
Energy: 1.0888574243559541
Energy: 0.9962188406485837
Energy: 0.9973516407876565
Energy: 0.9962188406471547
Energy: 0.9973516407876565
Energy: 0.9962188406485837
Energy: 0.9973516407876565
Energy: 0.8117885716374902
Energy: 0.7893619968629889
Energy: 0.8117885716396335
Energy: 0.7893619968637035
Energy: 0.8117885716367756
Energy: 0.7893619968637035
Energy: 0.9233934062973049
Energy: 0.8270036899171234
Energy: 0.9233934062994482
Energy: 0.8270036899171234
Energy: 0.9233934062980192
Energy: 0.8270036899171234
Energy: 0.9850567830952964
Energy: 1.134907934604896
Energy: 0.985056783094582
Energy: 1.1349079346034672
Energy: 0.9850567830952964
Energy: 1.1349079346041815
Energy: 1.038023444701445
Energy: 0.8917667956314954
Energy: 1.038023444700016
Energy: 0.8917667956314954
Energy: 1.0380234447007306
Energy: 0.8917667956322097
Energy: 0.8653590216809144
Energy: 0.8499852217839451
Energy: 0.8653590216809144
Energy: 0.8499852217810873
Energy: 0.8653590216816289
Energy: 0.849985221778944
Energy: 0.8379116645050089
Energy: 0.8864068077678195
Energy: 0.83791166450358
Energy: 0.8864068077671051
Energy: 0.8379116645021509
Energy: 0.8864068077656763
Energy: 1.1096845283674728
Energy: 0.9228068721286801
Energy: 1.1096845283689016
Energy: 0.9228068721301089
Energy: 1.1096845283724739
Energy: 0.9228068721286801
Energy: 0.9576029827186783
Energy: 0.8203330763169314
Energy: 0.9576029827179637
Energy: 0.8203330763169314
Energy: 0.9576029827172494
Energy: 0.820333076317646
Energy: 0.8120262026103345
Energy: 0.9341690845808519
Energy: 0.8120262025981888
Energy: 0.9341690845815662
Energy: 0.812026202593902
Energy: 0.9341690845822808
Energy: 0.7804010420087677
Energy: 0.8124995859224823
Energy: 0.7804010420087677
Energy: 0.8124995859224823
Energy: 0.7804010420087677
Energy: 0.8124995859224823
Energy: 0.840805028231198
Energy: 0.87141153177511
Energy: 0.8408050282326269
Energy: 0.8714115318101183
Energy: 0.8408050282304835
Energy: 0.8714115318243427
Energy: 0.9144550596323561
Energy: 0.9186817516066208
Energy: 0.914455059633785
Energy: 0.9186817516066208
Energy: 0.9144550596359284
Energy: 0.9186817516073352
Energy: 0.8352726564212128
Energy: 0.8005622211389846
Energy: 0.835272656432644
Energy: 0.8005622211389846
Energy: 0.8352726564505056
Energy: 0.8005622211389846
Energy: 0.7811048887864892
Energy: 1.0891955756785716
Energy: 0.7811048887872036
Energy: 1.0891955756850018
Energy: 0.7811048887879181
Energy: 1.0891955756857163
Energy: 1.3789012346784242
Energy: 0.9995002321247629
Energy: 1.3789012346769953
Energy: 0.9995002321247629
Energy: 1.3789012346777096
Energy: 0.9995002321247629

minimum gb energy = 0.7603622262542313 eV
minimum distance =  2.2816452090319 Angstroms
sigma value = 41


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

Energy: 0.9982390166249445
Energy: 0.8706589525398643
Energy: 0.9982390166255076
Energy: 0.8706589525398643
Energy: 0.9982390166255076
Energy: 0.8706589525398643
Energy: 0.9498389414242264
Energy: 0.9219327561751796
Energy: 0.9498389414270418
Energy: 0.9219327561723639
Energy: 0.949838941427605
Energy: 0.9219327561740532
Energy: 0.9912281622631238
Energy: 1.0334976709218386
Energy: 0.9912281622631238
Energy: 1.0334976709218386
Energy: 0.991228162263687
Energy: 1.0334976709224015
Energy: 0.9339859751459786
Energy: 0.8656827965505277
Energy: 0.9339859751471048
Energy: 0.8656827965505277
Energy: 0.9339859751465417
Energy: 0.8656827965505277
Energy: 0.8375286004534657
Energy: 0.9046585898077713
Energy: 0.8375286004529024
Energy: 0.9046585898077713
Energy: 0.8375286004529024
Energy: 0.9046585898077713
Energy: 1.1205090776603441
Energy: 0.9319138074633136
Energy: 1.120509077660907
Energy: 0.931913807460498
Energy: 1.120509077660907
Energy: 0.9319138074616242
Energy: 0.8656146384814686
Energy: 1.1907042953826343
Energy: 0.8656146384814686
Energy: 1.190704295380382
Energy: 0.8656146384814686
Energy: 1.1907042953809452
Energy: 0.8497560186666929
Energy: 0.8656175409454393
Energy: 0.8497560186666929
Energy: 0.8656175409454393
Energy: 0.8497560186666929
Energy: 0.8656175409460023
Energy: 0.8438762755042015
Energy: 0.8880741210826487
Energy: 0.8438762755036383
Energy: 0.8880741210820857
Energy: 0.8438762755030753
Energy: 0.8880741210826487
Energy: 0.9252813847766175
Energy: 0.9566621506092716
Energy: 0.9252813847777438
Energy: 0.9566621506092716
Energy: 0.9252813847771807
Energy: 0.9566621506092716
Energy: 0.9232513195498676
Energy: 0.9556748500521589
Energy: 0.9232513195498676
Energy: 0.9556748500527221
Energy: 0.9232513195498676
Energy: 0.9556748500515958
Energy: 0.8333924111318682
Energy: 0.9221012035432136
Energy: 0.8333924111318682
Energy: 1.0124354094768588
Energy: 0.8333924111329944
Energy: 0.9149783996266354
Energy: 0.8602797267924698
Energy: 0.8647801986738499
Energy: 0.8602797267930329
Energy: 0.8647801986738499
Energy: 0.8602797267924698
Energy: 0.8647801986738499
Energy: 0.8129222670980623
Energy: 0.954138211927311
Energy: 0.812922267097499
Energy: 0.9541382119278742
Energy: 0.8129222670980623
Energy: 0.9541382119290004
Energy: 0.9235773222420202
Energy: 0.9006856948844993
Energy: 0.9235773222437095
Energy: 0.9006856948699093
Energy: 0.923577322240894
Energy: 0.900685694877793
Energy: 0.8135461080390382
Energy: 1.083110743561024
Energy: 0.813546108038475
Energy: 1.175242619221439
Energy: 0.8135461080396011
Energy: 1.0611658092728269
Energy: 0.8666938396887501
Energy: 0.8647999799866306
Energy: 0.8666938396893134
Energy: 0.8647999799860674
Energy: 0.8666938396881871
Energy: 0.8647999799855043
Energy: 0.8838092203634383
Energy: 1.0341197881891537
Energy: 0.8838092203634383
Energy: 1.034119788184649
Energy: 0.8838092203623121
Energy: 1.034119788184649
Energy: 0.9474097104401259
Energy: 0.922504312774963
Energy: 0.9474097104423783
Energy: 0.9225043127783417
Energy: 0.9474097104401259
Energy: 0.9225043127727105
Energy: 0.9234861986023688
Energy: 0.948342745093691
Energy: 0.9234861986012425
Energy: 0.9862982848493835
Energy: 0.9234861986012425
Energy: 0.8736738786209169
Energy: 0.8468537694567504
Energy: 0.9244587951931142
Energy: 0.8468537694578766
Energy: 0.9244587951931142
Energy: 0.8468537694578766
Energy: 0.924458795196493
Energy: 0.8964859021222871
Energy: 1.031361015799879
Energy: 0.8964859021251025
Energy: 1.0313610158100148
Energy: 0.8964859021245395
Energy: 1.0313610158100148
Energy: 0.9296255621688745
Energy: 0.8631838464380782
Energy: 0.9296255621671852
Energy: 0.863183846437515
Energy: 0.9296255621683114
Energy: 0.8631838464380782
Energy: 0.8138995585922391
Energy: 0.9963002456880535
Energy: 0.8138995585911128
Energy: 1.0826540774377635
Energy: 0.8138995585911128
Energy: 0.9160400059829361
Energy: 0.8162109522406316
Energy: 0.9197957922375003
Energy: 0.8162109522400685
Energy: 0.9197957922420053
Energy: 0.8162109522406316
Energy: 0.9197957922538306
Energy: 0.8652259057370913
Energy: 0.9516820629600188
Energy: 0.865225905735965
Energy: 0.9516820629600188
Energy: 0.865225905735965
Energy: 0.9516820629600188
Energy: 0.8446729358660836
Energy: 0.8631654151351228
Energy: 0.8446729358660836
Energy: 0.8631654151351228
Energy: 0.8446729358660836
Energy: 0.8631654151351228
Energy: 0.8437659019856628
Energy: 0.9216534914199087
Energy: 0.8437659019856628
Energy: 0.9879089350185839
Energy: 0.8437659019862258
Energy: 0.9007483216841552
Energy: 0.9239623100069982
Energy: 0.950070511820303
Energy: 0.9239623100081245
Energy: 0.9500705118157983
Energy: 0.9239623100075612
Energy: 0.9500705118186138
Energy: 1.0181571614810907
Energy: 0.9055443708720774
Energy: 1.0181571614810907
Energy: 0.9055443708743298
Energy: 1.0181571614805276
Energy: 0.9055443708737666
Energy: 0.8265460173655674
Energy: 0.8990999526509809
Energy: 0.8265460173655674
Energy: 0.8990999526543595
Energy: 0.8265460173644414
Energy: 0.8990999526543595
Energy: 0.8578173505210502
Energy: 0.8842743779157236
Energy: 0.8578173505210502
Energy: 0.8842743779151605
Energy: 0.8578173505204872
Energy: 0.8842743779151605
Energy: 0.8156915794071795
Energy: 0.8924778415958086
Energy: 0.8156915794071795
Energy: 0.8924778415902288
Energy: 0.8156915794066165
Energy: 0.8924778415952456

minimum gb energy = 0.812922267097499 eV
minimum distance =  2.29520539016866 Angstroms
sigma value = 33


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

Energy: 0.98835936299923
Energy: 0.9012758288675841
Energy: 0.9883593630003796
Energy: 0.9012758288675841
Energy: 0.9883593630003796
Energy: 0.9012758288675841
Energy: 1.01090113541932
Energy: 0.8750766832395018
Energy: 1.0109011354185296
Energy: 0.8750766832398612
Energy: 1.01090113541738
Energy: 0.8750766832395018
Energy: 0.9383435964299678
Energy: 1.0477261641777778
Energy: 0.9383435964307583
Energy: 1.0477261641781368
Energy: 0.9383435964307583
Energy: 1.0477261641777778
Energy: 0.9919775092369263
Energy: 0.8878287648488022
Energy: 0.9919775092369263
Energy: 0.8878287648491615
Energy: 0.9919775092416687
Energy: 0.8878287648483709
Energy: 0.9095764551842832
Energy: 0.9968798101123555
Energy: 0.9095764551854332
Energy: 0.996879810117026
Energy: 0.909576455185864
Energy: 0.9968798101123555
Energy: 1.2732784263073043
Energy: 0.9062447423482601
Energy: 1.2732784263080947
Energy: 0.9062447423482601
Energy: 1.2732784263073043
Energy: 0.906244742347901
Energy: 0.9135499992425204
Energy: 1.0019589076043678
Energy: 0.9135499992417302
Energy: 1.0019589076043678
Energy: 0.9135499992425204
Energy: 1.0019589076035775
Energy: 0.9668835335942287
Energy: 0.9700718339468873
Energy: 0.966883533595019
Energy: 0.9700718339440849
Energy: 0.9668835335953784
Energy: 0.9700718339464562
Energy: 1.042911729841373
Energy: 0.9214502371846175
Energy: 1.0429117298405828
Energy: 0.9214502371830368
Energy: 1.0429117298405828
Energy: 0.9214502371849769
Energy: 1.3367996143147827
Energy: 0.8973125827505282
Energy: 1.3367996143179441
Energy: 0.8973125827500972
Energy: 1.3367996143171537
Energy: 0.8973125827508874
Energy: 0.9608820547655837
Energy: 0.9621365057050096
Energy: 0.9608820547644341
Energy: 0.9621365057042193
Energy: 0.9608820547640029
Energy: 0.9621365057046504
Energy: 0.9975319570364877
Energy: 0.8875313363454437
Energy: 0.9975319570273622
Energy: 0.8875313363450125
Energy: 0.9975319570317454
Energy: 0.8875313363454437
Energy: 0.9243855344242338
Energy: 1.0447621604229294
Energy: 0.924385534425024
Energy: 1.0447621604233606
Energy: 0.9243855344245929
Energy: 1.0447621604233606
Energy: 0.9800922215157094
Energy: 0.962345629450423
Energy: 0.9800922215153501
Energy: 0.9623456294492732
Energy: 0.9800922215172903
Energy: 0.962345629450854
Energy: 0.9715589869358736
Energy: 0.9144699945889555
Energy: 0.9715589869338617
Energy: 0.9144699945865842
Energy: 0.9715589869346521
Energy: 0.9144699945865842
Energy: 0.9104825632252423
Energy: 1.0372708679457547
Energy: 0.9104825632252423
Energy: 1.0372708679465452
Energy: 0.9104825632260329
Energy: 1.0372708679473353
Energy: 0.9983678390470528
Energy: 0.9041494309645836
Energy: 0.9983678390462625
Energy: 0.9041494309645836
Energy: 0.998367839045041
Energy: 0.9041494309645836
Energy: 0.8840444282677962
Energy: 0.9365328698715867
Energy: 0.8840444282685865
Energy: 0.9365328698715867
Energy: 0.8840444282685865
Energy: 0.9365328698711555
Energy: 1.048418342477521
Energy: 0.9385049804600226
Energy: 1.0484183424770896
Energy: 0.938504980460813
Energy: 1.0484183424770896
Energy: 0.938504980460813
Energy: 1.0482574580797777
Energy: 0.9466628888367115
Energy: 1.0482574580802086
Energy: 0.9466628888375018
Energy: 1.048257458078628
Energy: 0.9466628888367115
Energy: 0.9027650822829407
Energy: 0.9817779740353395
Energy: 0.9027650822821502
Energy: 0.9817779740349083
Energy: 0.9027650822821502
Energy: 0.981777974034118
Energy: 0.8694804741591816
Energy: 1.0183575085998098
Energy: 0.8694804741571697
Energy: 1.0183575085993788
Energy: 0.8694804741591816
Energy: 1.0183575085998098
Energy: 0.9712781828492453
Energy: 0.8705171010367212
Energy: 0.9712781828448622
Energy: 0.8705171010370805
Energy: 0.9712781828468742
Energy: 0.8705171010351405
Energy: 0.893796848640262
Energy: 0.9835846016704393
Energy: 0.8937968486418428
Energy: 0.9835846016704393
Energy: 0.893796848640262
Energy: 0.9835846016700082
Energy: 0.9965831890417506
Energy: 0.9036309074547656
Energy: 0.996583189048864
Energy: 0.9036309074547656
Energy: 0.9965831890496546
Energy: 0.9036309074543345
Energy: 0.9048626517678241
Energy: 0.9750435112226409
Energy: 0.9048626517662434
Energy: 0.9750435112222097
Energy: 0.9048626517662434
Energy: 0.9750435112218506
Energy: 1.0147543984991503
Energy: 0.9148991016910075
Energy: 1.0147543984987908
Energy: 0.9148991016902172
Energy: 1.0147543985015215
Energy: 0.9148991016910075
Energy: 0.9730935185317692
Energy: 0.8943498489207521
Energy: 0.9730935185325595
Energy: 0.8943498489215426
Energy: 0.9730935185306193
Energy: 0.8943498489211115
Energy: 0.9232946231806122
Energy: 1.0446288235257337
Energy: 0.923294623182193
Energy: 1.044628823526165
Energy: 0.9232946231806122
Energy: 1.044628823526524
Energy: 0.8938134513135135
Energy: 1.0514519650977923
Energy: 0.8938134513111423
Energy: 1.0514519650938405
Energy: 0.8938134513107112
Energy: 1.051451965089098
Energy: 0.9323629571011118
Energy: 0.8832015101425242
Energy: 0.9323629570987407
Energy: 0.8832015101425242
Energy: 0.9323629570999622
Energy: 0.8832015101425242
Energy: 0.8929685461625866
Energy: 0.9973334052028185
Energy: 0.8929685461617963
Energy: 0.9973334052004472
Energy: 0.8929685461617963
Energy: 0.9973334052015969
Energy: 1.0493172360299323
Energy: 0.9178687539222223
Energy: 1.049317236027992
Energy: 0.9178687539210727
Energy: 1.0493172360315133
Energy: 0.9178687539218631
Energy: 0.9599515096685728
Energy: 0.9749614474337387
Energy: 0.9599515096690039
Energy: 0.9749614474348883
Energy: 0.9599515096693633
Energy: 0.9749614474348883
Energy: 0.959831779549942
Energy: 0.9747766855406322
Energy: 0.9598317795507326
Energy: 0.9747766855398416
Energy: 0.9598317795507326
Energy: 0.9747766855414225
Energy: 1.0482861455893964
Energy: 0.9178739144605693
Energy: 1.0482861455925578
Energy: 0.91787391446021
Energy: 1.0482861455893964
Energy: 0.91787391446021
Energy: 0.8929487180555686
Energy: 0.9983782721064886
Energy: 0.8929487180559997
Energy: 0.9983782721009559
Energy: 0.8929487180555686
Energy: 0.9983782721001654
Energy: 0.9324264732701513
Energy: 0.8835242962568959
Energy: 0.9324264732682113
Energy: 0.8835242962564648
Energy: 0.9324264732685705
Energy: 0.8835242962568959
Energy: 0.8938203893178187
Energy: 1.0521435346396981
Energy: 0.8938203893193996
Energy: 1.0521435346345245
Energy: 0.893820389316238
Energy: 1.052143534629423
Energy: 0.9233099093554752
Energy: 1.0448035441044552
Energy: 0.9233099093523136
Energy: 1.0448035441044552
Energy: 0.9233099093515232
Energy: 1.0448035441028745
Energy: 0.9726894690449611
Energy: 0.8941015774048945
Energy: 0.9726894690417996
Energy: 0.8941015774041042
Energy: 0.9726894690433804
Energy: 0.8941015774041042
Energy: 1.0144563136803049
Energy: 0.9148013905649742
Energy: 1.0144563136818858
Energy: 0.9148013905649742
Energy: 1.0144563136806641
Energy: 0.9148013905649742
Energy: 0.9047512907847602
Energy: 0.9751415341805035
Energy: 0.9047512907836106
Energy: 0.9751415341809347
Energy: 0.9047512907851913
Energy: 0.9751415341812939
Energy: 0.996578161328499
Energy: 0.9036496087434427
Energy: 0.9965781613233254
Energy: 0.9036496087434427
Energy: 0.996578161330439
Energy: 0.9036496087434427
Energy: 0.8937761342826165
Energy: 0.983324052955917
Energy: 0.8937761342806044
Energy: 0.9833240529574977
Energy: 0.8937761342813948
Energy: 0.9833240529563481
Energy: 0.9716565582770015
Energy: 0.8704562525898589
Energy: 0.9716565582777918
Energy: 0.8704562525879189
Energy: 0.9716565582774326
Energy: 0.8704562525906494
Energy: 0.8699630257350163
Energy: 1.0186057481024808
Energy: 0.869963025732214
Energy: 1.018605748103271
Energy: 0.8699630257314235
Energy: 1.018605748102912

minimum gb energy = 0.8694804741571697 eV
minimum distance =  2.3122102382491 Angstroms
sigma value = 67


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

Energy: 1.006730901768028
Energy: 0.9535379247114738
Energy: 1.006730901768028
Energy: 0.9535379247114738
Energy: 1.006730901765387
Energy: 0.9535379247114738
Energy: 0.9820188301854352
Energy: 0.9113868034860906
Energy: 0.9820188301854352
Energy: 0.9113868034860906
Energy: 0.9820188301854352
Energy: 0.9113868034860906
Energy: 1.3451522451132192
Energy: 1.1305927583639441
Energy: 1.207351052597656
Energy: 1.1305927583639441
Energy: 1.207351052595015
Energy: 1.1305927583639441
Energy: 0.9820194073351813
Energy: 0.911409247281342
Energy: 0.9820194073351813
Energy: 0.911409247281342
Energy: 0.9820194073351813
Energy: 0.911409247281342
Energy: 1.006730901765387
Energy: 0.9535379247141152
Energy: 1.006730901765387
Energy: 0.9535379247141152
Energy: 1.006730901765387
Energy: 0.9535379247141152
Energy: 0.9820188301854352
Energy: 0.9113868034860906
Energy: 0.9820188301880766
Energy: 0.9113868034860906
Energy: 0.9820188301854352
Energy: 0.9113868034860906
Energy: 0.9492038109950272
Energy: 1.1305927583639441
Energy: 0.949203810992386
Energy: 1.1305927583639441
Energy: 0.9492038109950272
Energy: 1.1305927583639441

minimum gb energy = 0.9113868034860906 eV
minimum distance =  2.32065736303269 Angstroms
sigma value = 3


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

Energy: 1.3085670102321874
Energy: 1.100760426652351
Energy: 1.3085670102321874
Energy: 1.100760426652351
Energy: 1.3085670102321874
Energy: 1.100760426652351
Energy: 1.0983527720417
Energy: 1.026941505713812
Energy: 1.0983527720417
Energy: 1.026941505713812
Energy: 1.0983527720417
Energy: 1.026941505713812
Energy: 1.1647338928880802
Energy: 1.1689408509000068
Energy: 1.1647338928880802
Energy: 1.1689408509000068
Energy: 1.1647338928916744
Energy: 1.1689408509000068
Energy: 1.0978638442826574
Energy: 1.0680381838589772
Energy: 1.0978638442826574
Energy: 1.1025372517468488
Energy: 1.0978638442826574
Energy: 1.0902605194900004
Energy: 1.188465815511083
Energy: 1.1336644320405402
Energy: 1.188465815511083
Energy: 1.1336644320476632
Energy: 1.188465815511083
Energy: 1.133664432036946
Energy: 1.0541543314314674
Energy: 1.0938754345137627
Energy: 1.0541543314314674
Energy: 1.0938754345137627
Energy: 1.0541543314314674
Energy: 1.0938754345137627
Energy: 1.1074206621664557
Energy: 1.1732826521518116
Energy: 1.1074206621736442
Energy: 1.1732826521518116
Energy: 1.10742066217005
Energy: 1.1732826521518116
Energy: 1.0495707625147686
Energy: 1.136187882672556
Energy: 1.0495707625147686
Energy: 1.13618788267615
Energy: 1.0495707625147686
Energy: 1.16684474335361
Energy: 1.0926701420973115
Energy: 1.132983234984165
Energy: 1.092670142093717
Energy: 1.1329832349805706
Energy: 1.092670142093717
Energy: 1.1329832349769764
Energy: 1.1007351158805616
Energy: 1.0942070473346366
Energy: 1.1007351158840906
Energy: 1.0942070473346366
Energy: 1.1007351158769672
Energy: 1.0942070473346366
Energy: 1.1014917450708368
Energy: 1.170129108508065
Energy: 1.1014917450708368
Energy: 1.170129108508065
Energy: 1.1014917450780253
Energy: 1.170129108508065
Energy: 1.0500187960195584
Energy: 1.1130399518705214
Energy: 1.0500187960159642
Energy: 1.1563238184204958
Energy: 1.0500187960195584
Energy: 1.1337227965661911
Energy: 1.1406912038544936
Energy: 1.0818841812274769
Energy: 1.1406912038508994
Energy: 1.0818841812274769
Energy: 1.1406912038508994
Energy: 1.0818841812274769
Energy: 1.1117474906171674
Energy: 1.0940684316147087
Energy: 1.1117474906206959
Energy: 1.0940684316147087
Energy: 1.111747490613573
Energy: 1.0940684316147087
Energy: 1.1354541074956517
Energy: 1.0593441364147336
Energy: 1.1354541074956517
Energy: 1.0593441364147336
Energy: 1.1354541074920572
Energy: 1.0593441364147336
Energy: 1.1319196894313288
Energy: 1.0393673988792254
Energy: 1.1319196894313288
Energy: 1.0393673988792254
Energy: 1.1319196894313288
Energy: 1.0688345853422194
Energy: 1.1703225268102204
Energy: 1.0290815018567627
Energy: 1.1703225268102204
Energy: 1.0290815018567627
Energy: 1.1703225268138147
Energy: 1.0290815018567627
Energy: 1.103859563324476
Energy: 1.1492406898630974
Energy: 1.1038595633280703
Energy: 1.1492406898595031
Energy: 1.103859563324476
Energy: 1.1492406898630974
Energy: 1.1342474075012028
Energy: 1.1398515132609663
Energy: 1.1342474074940143
Energy: 1.1398515132609663
Energy: 1.1342474074904199
Energy: 1.1398515132609663
Energy: 1.0495581007254888
Energy: 1.1173189931628544
Energy: 1.0495581007183001
Energy: 1.1173189931628544
Energy: 1.0495581007218944
Energy: 1.1164503138413242
Energy: 1.164060640916028
Energy: 1.0961852257134317
Energy: 1.164060640916028
Energy: 1.0961852257134317
Energy: 1.1640606409124334
Energy: 1.0961852257134317
Energy: 1.0541272227304694
Energy: 1.1728905111875603
Energy: 1.0541272227304694
Energy: 1.1728905111875603
Energy: 1.0541272227304694
Energy: 1.1728905111875603
Energy: 1.140537149175807
Energy: 1.0922477813548488
Energy: 1.140537149175807
Energy: 1.0922477813548488
Energy: 1.140537149175807
Energy: 1.0922477813548488
Energy: 1.0380271032165211
Energy: 1.1106695902950174
Energy: 1.0380271032237096
Energy: 1.1106695902950174
Energy: 1.0380271032165211
Energy: 1.1106695902950174
Energy: 1.1578757250269445
Energy: 1.0964407083954995
Energy: 1.1578757250269445
Energy: 1.0964407083954995
Energy: 1.1578757250305385
Energy: 1.0964407083954995
Energy: 1.0598522980606864
Energy: 1.1086846413833444
Energy: 1.0598522980606864
Energy: 1.1086846413833444
Energy: 1.0598522980606864
Energy: 1.1086846413833444
Energy: 1.1390866716244883
Energy: 1.1255683491789064
Energy: 1.1390866716280823
Energy: 1.1255683491789064
Energy: 1.1390866716280823
Energy: 1.1255683491789064
Energy: 1.0973805952169418
Energy: 1.0312667180024366
Energy: 1.0973805952169418
Energy: 1.063883690987894
Energy: 1.097380595220536
Energy: 1.028080350998743
Energy: 1.0971123579289697
Energy: 1.029186709866723
Energy: 1.0971123579253754
Energy: 1.029186709866723
Energy: 1.0971123579217814
Energy: 1.0291867098631284
Energy: 1.1311948844062671
Energy: 1.0618092543638988
Energy: 1.1311948844062671
Energy: 1.061809254367493
Energy: 1.1311948844026731
Energy: 1.0618092543638988
Energy: 1.1425097957835326
Energy: 1.0560471766882626
Energy: 1.142509795787127
Energy: 1.0560471766882626
Energy: 1.1425097957799386
Energy: 1.0560471766882626
Energy: 1.0974591575915835
Energy: 1.0284004286577673
Energy: 1.0974591575879893
Energy: 1.0284004286577673
Energy: 1.0974591576023662
Energy: 1.0284004286613615
Energy: 1.0991145305039245
Energy: 1.137603678162697
Energy: 1.0991145305039245
Energy: 1.137603678162697
Energy: 1.099114530511113
Energy: 1.1376036781662913
Energy: 1.1319698597652819
Energy: 1.126965162141289
Energy: 1.1319698597544992
Energy: 1.1269651621448833
Energy: 1.1319698597616876
Energy: 1.1269651621448833
Energy: 1.082213868469221
Energy: 1.1054676914725639
Energy: 1.0822138684620326
Energy: 1.1054676914725639
Energy: 1.082213868465627
Energy: 1.1054676914725639
Energy: 1.0960785503277606
Energy: 1.0963762696147326
Energy: 1.0960785503277606
Energy: 1.0963762696147326
Energy: 1.0960785503277606
Energy: 1.0963762696147326
Energy: 1.0389259955038825
Energy: 1.1793977431347633
Energy: 1.0389259955074768
Energy: 1.1793977431383575
Energy: 1.0389259955038825
Energy: 1.1793977431347633
Energy: 1.1339118057598374
Energy: 1.093421947977281
Energy: 1.1339118057598374
Energy: 1.093421947977281
Energy: 1.1339118057598374
Energy: 1.093421947977281
Energy: 1.0259243311321036
Energy: 1.170343132282712
Energy: 1.025924331135698
Energy: 1.1703431322863063
Energy: 1.0259243311321036
Energy: 1.170343132282712
Energy: 1.2010094418613178
Energy: 1.0962223308045431
Energy: 1.2010094418613178
Energy: 1.0962223308009487
Energy: 1.201009441864912
Energy: 1.0962223308081371
Energy: 1.0505210036297217
Energy: 1.1977520412153524
Energy: 1.0505210036261272
Energy: 1.1977520412153524
Energy: 1.0505210036261272
Energy: 1.1977520412081637
Energy: 1.2500023802083293
Energy: 1.0425124096840064
Energy: 1.2500023802119238
Energy: 1.0425124096840064
Energy: 1.2500023802083293
Energy: 1.0425124096840064
Energy: 1.0757377157177848
Energy: 1.1650800748542265
Energy: 1.0757377157141903
Energy: 1.1650800748542265
Energy: 1.0757377157177848
Energy: 1.1650800748542265
Energy: 1.1656625146784463
Energy: 1.0284007664408417
Energy: 1.1656625146748518
Energy: 1.0284007664408417
Energy: 1.1656625146712576
Energy: 1.0284007664408417
Energy: 1.1337229866749565
Energy: 1.1355942123604672
Energy: 1.133722986671362
Energy: 1.1355942123640617
Energy: 1.1337229866749565
Energy: 1.1355942123640617
Energy: 1.1699044674084014
Energy: 1.068069628463823
Energy: 1.1699044674119958
Energy: 1.068069628463823
Energy: 1.1699044674119958
Energy: 1.0680696284602287
Energy: 1.1264488813520939
Energy: 1.0938102306949178
Energy: 1.1264488813484999
Energy: 1.0938102306949178
Energy: 1.1264488813520939
Energy: 1.0938102306913235
Energy: 1.1387058608851999
Energy: 1.0800679562829443
Energy: 1.1387058608851999
Energy: 1.0800679562829443
Energy: 1.1387058608851999
Energy: 1.0800679562829443
Energy: 1.0507283798533722
Energy: 1.132240759890687
Energy: 1.0507283798533722
Energy: 1.132240759890687
Energy: 1.0507283798533722
Energy: 1.132240759890687
Energy: 1.1045767897778653
Energy: 1.1055261440846507
Energy: 1.1045767897814596
Energy: 1.1055261440882447
Energy: 1.1045767897778653
Energy: 1.1055261440882447
Energy: 1.1030260985513334
Energy: 1.0939376845197344
Energy: 1.103026098558522
Energy: 1.0939376845233286
Energy: 1.103026098558522
Energy: 1.0939376845197344

minimum gb energy = 1.0259243311321036 eV
minimum distance =  2.28180832194669 Angstroms
sigma value = 81


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

Energy: 1.1781273454238141
Energy: 1.0714376161140715
Energy: 1.1781273454243075
Energy: 1.0714376161135784
Energy: 1.1781273454238141
Energy: 1.0714376161135784
Energy: 1.0103103816737924
Energy: 1.0050843160774579
Energy: 1.010310381673299
Energy: 1.0050843160784446
Energy: 1.0103103816728056
Energy: 1.0050843160784446
Energy: 1.1990856961057341
Energy: 1.1681827600087038
Energy: 1.1990856961160938
Energy: 1.1681827600091972
Energy: 1.1990856961072143
Energy: 1.1681827600087038
Energy: 1.0784304356389667
Energy: 1.1510055902489547
Energy: 1.0784304356399532
Energy: 1.1510055902504348
Energy: 1.0784304356384733
Energy: 1.1510055902519145
Energy: 1.0588142029269947
Energy: 1.0082160319667508
Energy: 1.058814202926008
Energy: 1.0082160319662574
Energy: 1.0588142029269947
Energy: 1.0082160319662574
Energy: 1.0050502228810692
Energy: 1.0020944670767915
Energy: 1.0050502228815625
Energy: 1.0020944670762981
Energy: 1.0050502228810692
Energy: 1.0020944670767915
Energy: 0.9783766936812703
Energy: 1.0081848172697905
Energy: 0.9783766936817636
Energy: 1.0081848172702839
Energy: 0.978376693680777
Energy: 1.0081848172702839
Energy: 1.0038104187520127
Energy: 1.0427778821811007
Energy: 1.0038104187534926
Energy: 1.0427778821806075
Energy: 1.003810418752506
Energy: 1.0427778821815938
Energy: 1.219304362691892
Energy: 1.1447221974196444
Energy: 1.2193043626958384
Energy: 1.1447221974235906
Energy: 1.2193043627017583
Energy: 1.144722197429017
Energy: 1.11641616523482
Energy: 1.321881624094544
Energy: 1.1164161652328464
Energy: 1.321881624094544
Energy: 1.1164161652308733
Energy: 1.321881624094544
Energy: 1.0035059946251697
Energy: 0.97586284794379
Energy: 1.0035059946241833
Energy: 0.9758628479442832
Energy: 1.003505994625663
Energy: 0.9758628479442832
Energy: 1.0031644735301233
Energy: 1.0049425031881083
Energy: 1.0031644735320966
Energy: 1.0049425031881083
Energy: 1.0031644735311098
Energy: 1.0049425031881083
Energy: 1.0064714115069187
Energy: 1.061927159157419
Energy: 1.0064714115064255
Energy: 1.0619271591569257
Energy: 1.0064714115064255
Energy: 1.061927159157419
Energy: 1.1564010402955833
Energy: 1.1665263049822223
Energy: 1.1564010402960767
Energy: 1.1665263049822223
Energy: 1.1564010402955833
Energy: 1.1665263049822223
Energy: 1.16634838177202
Energy: 0.9719658541987328
Energy: 1.1663483817715266
Energy: 0.9719658541997194
Energy: 1.1663483817730065
Energy: 0.9719658542016927
Energy: 1.0036078911837052
Energy: 1.005714597441098
Energy: 1.0036078911837052
Energy: 1.0057145974406045
Energy: 1.0036078911832118
Energy: 1.0057145974406045
Energy: 1.0884087334197228
Energy: 1.0029882233559921
Energy: 1.0884087334187362
Energy: 1.0029882233559921
Energy: 1.0884087334197228
Energy: 1.0029882233559921
Energy: 0.9709251454959827
Energy: 1.0793894225340328
Energy: 0.9709251454959827
Energy: 1.0793894225340328
Energy: 0.970925145494996
Energy: 1.0793894225340328
Energy: 1.1707218399198722
Energy: 1.202012487443689
Energy: 1.1707218399198722
Energy: 1.2020124874501024
Energy: 1.170721839920859
Energy: 1.2020124874550353
Energy: 1.143912821567438
Energy: 1.2164719761945357
Energy: 1.143912821562505
Energy: 1.2164719761930556
Energy: 1.143912821559545
Energy: 1.216471976193549
Energy: 1.0400549419638145
Energy: 1.061337388749416
Energy: 1.0400549419633214
Energy: 1.0613373887484294
Energy: 1.0400549419633214
Energy: 1.061337388750896
Energy: 1.0022350183187325
Energy: 0.9803586476246029
Energy: 1.002235018319719
Energy: 0.9803586476250963
Energy: 1.0022350183187325
Energy: 0.9803586476246029
Energy: 1.0022587609385285
Energy: 0.9803127989872735
Energy: 1.0022587609385285
Energy: 0.9803127989877668
Energy: 1.0022587609370486
Energy: 0.9803127989872735
Energy: 1.0402389104902947
Energy: 1.0616667218947884
Energy: 1.040238910490788
Energy: 1.0616667218952818
Energy: 1.040238910490788
Energy: 1.0616667218952818
Energy: 1.143878999349475
Energy: 1.2164229436735348
Energy: 1.1438789993539147
Energy: 1.2164229436735348
Energy: 1.1438789993534213
Energy: 1.2164229436735348
Energy: 1.170657449717253
Energy: 1.201833375233949
Energy: 1.1706574497187328
Energy: 1.201833375233949
Energy: 1.1706574497177464
Energy: 1.2018333752378954
Energy: 0.9709735845554275
Energy: 1.0794097530184554
Energy: 0.9709735845549342
Energy: 1.0794097530179623
Energy: 0.9709735845549342
Energy: 1.0794097530179623
Energy: 1.088346961559416
Energy: 1.0031766526628458
Energy: 1.088346961559416
Energy: 1.0031766526638324
Energy: 1.0883469615608958
Energy: 1.0031766526628458
Energy: 1.0038212450832928
Energy: 1.0056819957853271
Energy: 1.003821245084773
Energy: 1.0056819957843404
Energy: 1.0038212450827997
Energy: 1.0056819957848337
Energy: 1.1663807621641207
Energy: 0.9721804854960004
Energy: 1.1663807621641207
Energy: 0.9721804854964937
Energy: 1.1663807621646138
Energy: 0.9721804854964937
Energy: 1.1487316678421169
Energy: 1.1665155139700076
Energy: 1.1487316678386639
Energy: 1.1665155139695143
Energy: 1.1487316678411303
Energy: 1.1665155139695143
Energy: 1.0064885019836682
Energy: 1.061835638247623
Energy: 1.0064885019856413
Energy: 1.0618356382481162
Energy: 1.0064885019866279
Energy: 1.0618356382481162
Energy: 1.003128856043068
Energy: 1.0048787216800592
Energy: 1.003128856041095
Energy: 1.0048787216795658
Energy: 1.003128856044548
Energy: 1.0048787216795658
Energy: 1.0033968492308598
Energy: 0.9758347906180275
Energy: 1.003396849231353
Energy: 0.9758347906185209
Energy: 1.0033968492318464
Energy: 0.9758347906185209
Energy: 1.1165177432303253
Energy: 1.3218681786783424
Energy: 1.1165177432322986
Energy: 1.321868178677849
Energy: 1.1165177432273656
Energy: 1.3218681786783424
Energy: 1.218767558516738
Energy: 1.1444342339075964
Energy: 1.2187675585177247
Energy: 1.1444342339041431
Energy: 1.218767558502432
Energy: 1.1444342339031564
Energy: 1.0038075128575366
Energy: 1.0431813148691982
Energy: 1.0038075128575366
Energy: 1.0431813148691982
Energy: 1.00380751285803
Energy: 1.043181314867225
Energy: 0.9783911419319412
Energy: 1.008197194058984
Energy: 0.9783911419324344
Energy: 1.008197194058984
Energy: 0.9783911419324344
Energy: 1.008197194058984

minimum gb energy = 0.970925145494996 eV
minimum distance =  2.33990708181252 Angstroms
sigma value = 43


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

Energy: 1.357467107871906
Energy: 1.0631125166236821
Energy: 1.357467107871906
Energy: 1.0631125166236821
Energy: 1.357467107871906
Energy: 1.0631125166230762
Energy: 1.1201110227092903
Energy: 1.0263519832711299
Energy: 1.1201110227092903
Energy: 1.0263519832711299
Energy: 1.1201110227105024
Energy: 1.0263519832711299
Energy: 1.11399551460438
Energy: 1.2241557080101588
Energy: 1.11399551460438
Energy: 1.2241557080113707
Energy: 1.11399551460438
Energy: 1.2241557080131884
Energy: 1.0307872689207211
Energy: 1.0610142149757065
Energy: 1.0307872689201154
Energy: 1.0610142149751005
Energy: 1.030787268921327
Energy: 1.0610142149757065
Energy: 1.128752054366806
Energy: 1.1077621251948595
Energy: 1.1287520543674119
Energy: 1.1077621251960714
Energy: 1.1287520543680178
Energy: 1.1077621251960714
Energy: 1.0602536054466885
Energy: 1.1032349134624437
Energy: 1.0602536054460825
Energy: 1.1032349134624437
Energy: 1.0602536054460825
Energy: 1.1032349134624437
Energy: 1.1010728596696229
Energy: 1.1663029169581605
Energy: 1.101072859670229
Energy: 1.1663029169581605
Energy: 1.1010728596696229
Energy: 1.1663029169581605
Energy: 1.0679261579292436
Energy: 1.1057862862771934
Energy: 1.0679261579292436
Energy: 1.1057862862765873
Energy: 1.0679261579292436
Energy: 1.1057862862759815
Energy: 1.2049487120984654
Energy: 1.0083370365275526
Energy: 1.2049487120960416
Energy: 1.0083370365275526
Energy: 1.2049487120972535
Energy: 1.0083370365275526
Energy: 1.056133505085346
Energy: 1.1051694519148851
Energy: 1.0561335050847402
Energy: 1.1051694519148851
Energy: 1.0561335050847402
Energy: 1.1051694519148851
Energy: 1.0612761088254317
Energy: 1.0339195820240992
Energy: 1.0612761088242197
Energy: 1.0339195820265226
Energy: 1.0612761088248257
Energy: 1.033919582024705
Energy: 1.067801877446884
Energy: 1.083925109797211
Energy: 1.0678018774462783
Energy: 1.0839251097966047
Energy: 1.067801877446884
Energy: 1.0839251097966047
Energy: 1.1614632582021787
Energy: 1.1029409100199337
Energy: 1.1614632580598376
Energy: 1.1029409100193277
Energy: 1.1614632576691708
Energy: 1.1029409100199337
Energy: 1.0022967085631582
Energy: 1.2126483002578998
Energy: 1.0022967085631582
Energy: 1.2126483002578998
Energy: 1.0022967085625525
Energy: 1.2126483002578998
Energy: 1.0619876406347932
Energy: 1.111608129257774
Energy: 1.061987640635399
Energy: 1.11160812925838
Energy: 1.061987640635399
Energy: 1.111608129257774
Energy: 1.081246712277473
Energy: 1.1482339739112872
Energy: 1.081246712277473
Energy: 1.1482339739112872
Energy: 1.081246712277473
Energy: 1.1482339739106815
Energy: 1.1281862934780307
Energy: 1.026092616279899
Energy: 1.128186293476213
Energy: 1.026092616279293
Energy: 1.128186293475001
Energy: 1.026092616279293
Energy: 1.182976556912156
Energy: 1.0763663918496071
Energy: 1.18297655691155
Energy: 1.0763663918496071
Energy: 1.182976556910944
Energy: 1.0763663918496071
Energy: 1.1826298920899834
Energy: 1.0519117467017298
Energy: 1.1826298920899834
Energy: 1.0519117467017298
Energy: 1.1826298920894047
Energy: 1.0519117467011239
Energy: 1.1277861999039183
Energy: 1.0267681367006252
Energy: 1.1277861999033125
Energy: 1.0267681367006252
Energy: 1.1277861999027066
Energy: 1.0267681367006252
Energy: 1.0813449658758694
Energy: 1.0905238034966414
Energy: 1.0813449658752634
Energy: 1.0905238034966414
Energy: 1.0813449658746572
Energy: 1.0905238034966414
Energy: 1.1669268915249085
Energy: 1.123440686769486
Energy: 1.1669268915249085
Energy: 1.1234406867700921
Energy: 1.1669268915249085
Energy: 1.1234406867700921
Energy: 1.0026137670596778
Energy: 1.1394770660927325
Energy: 1.0026137670590716
Energy: 1.1394770660927325
Energy: 1.0026137670596778
Energy: 1.1394770660927325
Energy: 1.1630155190688563
Energy: 1.103178687777478
Energy: 1.1630155190706741
Energy: 1.1031786877768723
Energy: 1.1630155190694622
Energy: 1.103178687777478
Energy: 1.068476015324231
Energy: 1.0554179395889571
Energy: 1.068476015324231
Energy: 1.0554179395889571
Energy: 1.068476015324231
Energy: 1.055417939589563
Energy: 1.168379530032497
Energy: 1.1042682809205435
Energy: 1.1683795300331028
Energy: 1.1042682809205435
Energy: 1.168379530032497
Energy: 1.1042682809205435
Energy: 1.0560160680297754
Energy: 1.0257663999784539
Energy: 1.0560160680291695
Energy: 1.025766399977242
Energy: 1.1137274920629
Energy: 1.025766399977848
Energy: 1.1293105739135536
Energy: 1.008020039477094
Energy: 1.1293105739135536
Energy: 1.008020039477094
Energy: 1.1293105739129479
Energy: 1.008020039477094
Energy: 1.0685067985390562
Energy: 1.105759360648765
Energy: 1.0685067985378442
Energy: 1.105759360648765
Energy: 1.0685067985390562
Energy: 1.105759360648159
Energy: 1.1178677816931015
Energy: 1.1416067428518226
Energy: 1.1178677816931015
Energy: 1.1416067428518226
Energy: 1.1178677816924956
Energy: 1.1416067428512167
Energy: 1.0780865795472923
Energy: 1.1033312153041996
Energy: 1.0780865795466863
Energy: 1.1033312153041996
Energy: 1.1088462700728037
Energy: 1.1033312153041996

minimum gb energy = 1.0022967085625525 eV
minimum distance =  2.29193327622089 Angstroms
sigma value = 57


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

Energy: 1.165504695400875
Energy: 1.0177582807255658
Energy: 1.165504695400875
Energy: 1.0177582807255658
Energy: 1.1655046954000905
Energy: 1.0177582807255658
Energy: 1.073233352245512
Energy: 0.9625037518286591
Energy: 1.073233352245512
Energy: 0.9625037518294437
Energy: 1.0732333522462965
Energy: 0.9625037518286591
Energy: 1.0977648381500595
Energy: 1.1936461951892372
Energy: 1.0977648381484901
Energy: 1.1936461951892372
Energy: 1.097764838146921
Energy: 1.1936461951892372
Energy: 1.0679980562097404
Energy: 1.1013266144579532
Energy: 1.0679980562081712
Energy: 1.1013266144579532
Energy: 1.0679980562073865
Energy: 1.101326614458738
Energy: 1.078221852992714
Energy: 1.0986358262019351
Energy: 1.078221852991145
Energy: 1.0986358262027196
Energy: 1.0782218529919294
Energy: 1.0986358262027196
Energy: 1.0977756436169175
Energy: 1.0458108551611838
Energy: 1.0977756436231942
Energy: 1.0458108551611838
Energy: 1.0977756436247634
Energy: 1.0458108551611838
Energy: 1.0930380144244878
Energy: 1.1724762161246851
Energy: 1.0930380144244878
Energy: 1.1724762161254696
Energy: 1.0930380144252725
Energy: 1.1724762161246851
Energy: 1.067744834101593
Energy: 1.0181071150023802
Energy: 1.067744834101593
Energy: 1.0181071150015955
Energy: 1.067744834101593
Energy: 1.0181071150023802
Energy: 1.0667027922566736
Energy: 0.9627508721183305
Energy: 1.0667027922566736
Energy: 0.9627508721183305
Energy: 1.0667027922566736
Energy: 0.9627508721183305
Energy: 0.9574326295213649
Energy: 1.0461658939166099
Energy: 0.9574326295197957
Energy: 1.0461658939173943
Energy: 0.9574326295213649
Energy: 1.0461658939166099
Energy: 1.0928541732659354
Energy: 1.1003971862989528
Energy: 1.09285417326672
Energy: 1.1003971862989528
Energy: 1.092854173265151
Energy: 1.1003971862981683
Energy: 1.0651724812315821
Energy: 1.1656613270302905
Energy: 1.0651724812307977
Energy: 1.1656613270302905
Energy: 1.0651724812307977
Energy: 1.1656613270334286
Energy: 1.1035387850813094
Energy: 0.9627172065150662
Energy: 1.103538785082094
Energy: 0.9627172065166355
Energy: 1.1035387850813094
Energy: 0.9627172065166355
Energy: 1.0614222540849862
Energy: 0.9710458618771367
Energy: 1.0614222540842018
Energy: 0.9710458618763522
Energy: 1.0614222540794942
Energy: 0.9710458618771367
Energy: 1.0596838688700816
Energy: 0.9684183431471373
Energy: 1.059683868870866
Energy: 0.9684183431471373
Energy: 1.059683868869297
Energy: 0.9684183431463527
Energy: 1.0698513169248276
Energy: 1.063148910595924
Energy: 1.0698513169232584
Energy: 1.063148910595924
Energy: 1.069851316924043
Energy: 1.063148910595924
Energy: 0.9576120353769285
Energy: 1.0728457684491342
Energy: 0.9576120353784976
Energy: 1.0728457684499186
Energy: 0.9576120353769285
Energy: 1.0728457684499186
Energy: 1.0916562610449547
Energy: 1.1031864869671035
Energy: 1.0916562610457392
Energy: 1.1031864869671035
Energy: 1.0916562610449547
Energy: 1.1031864869671035
Energy: 0.9573218167496204
Energy: 1.0732284142851742
Energy: 0.9573218167472667
Energy: 1.0732284142851742
Energy: 0.957321816750405
Energy: 1.0732284142843898
Energy: 1.0701461183301093
Energy: 1.0628347566343694
Energy: 1.0701461183293248
Energy: 1.0628347566343694
Energy: 1.070146118330894
Energy: 1.0628347566351541
Energy: 1.0597566567331458
Energy: 0.9684131991693005
Energy: 1.0597566567339303
Energy: 0.9684131991685159
Energy: 1.0597566567323613
Energy: 0.9684131991685159
Energy: 1.0596565885981697
Energy: 1.0134074137207316
Energy: 1.0596565886020926
Energy: 1.0134074137215163
Energy: 1.059656588608369
Energy: 1.0134074137215163
Energy: 1.1039531782427838
Energy: 0.9628107757422331
Energy: 1.1039531782427838
Energy: 0.9628107757422331
Energy: 1.1039531782435683
Energy: 0.9628107757422331
Energy: 1.0653813725979957
Energy: 1.1655270489285094
Energy: 1.0653813725979957
Energy: 1.165527048927725
Energy: 1.06538137259878
Energy: 1.1655270489285094

minimum gb energy = 0.9573218167472667 eV
minimum distance =  2.31746612160009 Angstroms
sigma value = 17


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

Energy: 1.102575769534997
Energy: 0.9765727314044195
Energy: 1.1025757695361065
Energy: 0.9765727314044195
Energy: 1.102575769537216
Energy: 0.9765727314044195
Energy: 0.935875344228797
Energy: 0.9244239224077884
Energy: 0.935875344231016
Energy: 0.9244239224077884
Energy: 0.9358753442299066
Energy: 0.9244239224077884
Energy: 1.0540789370490198
Energy: 1.0978923672142116
Energy: 1.0540789370490198
Energy: 1.0978923672142116
Energy: 1.0540789370490198
Energy: 1.0978923672142116
Energy: 0.8756729436300229
Energy: 1.0638164944551727
Energy: 0.8756729436300229
Energy: 1.0638164944551727
Energy: 0.8756729436311325
Energy: 1.0638164944551727
Energy: 1.076043446852175
Energy: 1.021150281634081
Energy: 1.0760434468532845
Energy: 1.021150281634081
Energy: 1.0760434468510656
Energy: 1.021150281634081
Energy: 0.9808233094561609
Energy: 1.0601962757173997
Energy: 0.9808233094561609
Energy: 1.0601962757173997
Energy: 0.9808233094572703
Energy: 1.0601962757173997
Energy: 1.0656783442907938
Energy: 0.9338523591411361
Energy: 1.0656783442907938
Energy: 0.9338523591411361
Energy: 1.0656783442896844
Energy: 0.9338523591400265
Energy: 0.8756787717740642
Energy: 1.0539412399944768
Energy: 0.8756787717740642
Energy: 1.0539412399933674
Energy: 0.8756787717729545
Energy: 1.0539412399933674
Energy: 1.0256517403860688
Energy: 0.9245911530854102
Energy: 1.0256517403860688
Energy: 0.9245911530843006
Energy: 1.0256517403849592
Energy: 0.9245911530843006
Energy: 0.9980404814172356
Energy: 0.9383029923987548
Energy: 0.9980404814172356
Energy: 0.9383029923987548
Energy: 0.9980404814172356
Energy: 0.9383029923976451
Energy: 0.9813508328842544
Energy: 1.0602781146262306
Energy: 0.9813508328853637
Energy: 1.0602781146262306
Energy: 0.9813508328842544
Energy: 1.0602781146262306
Energy: 1.0069804639362898
Energy: 0.9241296341599408
Energy: 1.0069804639351803
Energy: 0.9241296341588311
Energy: 1.0069804639362898
Energy: 0.9241296341588311
Energy: 0.8753449682079356
Energy: 1.0597349238979097
Energy: 0.8753449682079356
Energy: 1.0597349238968004
Energy: 0.8753449682079356
Energy: 1.0597349238979097
Energy: 0.9981997514383002
Energy: 1.0431179926639722
Energy: 0.9981997514394098
Energy: 1.0431179926639722
Energy: 0.9981997514394098
Energy: 1.0431179926639722
Energy: 0.9802118145258251
Energy: 1.1762415414281493
Energy: 0.9802118145247155
Energy: 1.1762415414281493
Energy: 0.9802118145247155
Energy: 1.1762415414281493
Energy: 0.9800934872255552
Energy: 1.058584950684127
Energy: 0.9800934872266648
Energy: 1.058584950684127
Energy: 0.9800934872266648
Energy: 1.058584950684127
Energy: 0.9960614648226328
Energy: 1.0424265957517307
Energy: 0.9960614648237421
Energy: 1.0424265957517307
Energy: 0.9960614648226328
Energy: 1.042426595750621

minimum gb energy = 0.8753449682079356 eV
minimum distance =  2.27745794165165 Angstroms
sigma value = 17


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

Energy: 1.001199613335019
Energy: 0.8916609957543871
Energy: 1.0011996133354475
Energy: 0.8916609957543871
Energy: 1.0011996133358758
Energy: 0.8916609957539585
Energy: 0.8980666930664641
Energy: 0.8527065799784916
Energy: 0.8980666930664641
Energy: 0.8527065799789203
Energy: 0.8980666930673211
Energy: 0.8527065799789203
Energy: 0.985557429212731
Energy: 0.9449760278177081
Energy: 0.9855574292135879
Energy: 0.9449760278172795
Energy: 0.9855574292135879
Energy: 0.9449760278181366
Energy: 0.8253706115215218
Energy: 0.9229259747533697
Energy: 0.8253706115228073
Energy: 0.9229259747537979
Energy: 0.8253706115215218
Energy: 0.9229259747537979
Energy: 0.9035537648518501
Energy: 0.8529029813831611
Energy: 0.9035537648522787
Energy: 0.8529029813831611
Energy: 0.903553764854421
Energy: 0.8529029813827327
Energy: 0.9357696395399953
Energy: 0.8681726795194343
Energy: 0.9357696395395668
Energy: 0.8681726795185775
Energy: 0.9357696395395668
Energy: 0.8681726795194343
Energy: 0.9034689397015618
Energy: 0.8843266610363221
Energy: 0.9034689397002764
Energy: 0.8843266610367504
Energy: 0.9034689397002764
Energy: 0.8843266610358935
Energy: 0.9015068823899326
Energy: 0.9947967360311292
Energy: 0.901506882389504
Energy: 0.9947967360294152
Energy: 0.9015068823903611
Energy: 0.9947967360307007
Energy: 0.9233861199329009
Energy: 0.948150528422068
Energy: 0.9233861199329009
Energy: 0.9481505284242103
Energy: 0.9233861199320439
Energy: 0.948150528422068
Energy: 0.9018163421943333
Energy: 0.8107907857663421
Energy: 0.9018163421939048
Energy: 0.8107907857654851
Energy: 0.9018163421934765
Energy: 0.8107907857659137
Energy: 0.8257437848923685
Energy: 0.940886473014207
Energy: 0.8257437848923685
Energy: 0.9408864730193486
Energy: 0.8257437848923685
Energy: 0.9408864730163494
Energy: 0.9849474782348393
Energy: 0.873505232957467
Energy: 0.9849474782348393
Energy: 0.8735052329566101
Energy: 0.9849474782348393
Energy: 0.8735052329566101
Energy: 0.9154586835213714
Energy: 0.8778954027329843
Energy: 0.915458683520943
Energy: 0.8778954027325558
Energy: 0.9154586835213714
Energy: 0.8778954027325558
Energy: 0.899315007065365
Energy: 0.8926885761580301
Energy: 0.8993150070657935
Energy: 0.8926885761614577
Energy: 0.8993150070632226
Energy: 0.892688576159744
Energy: 0.9554932242321493
Energy: 0.8729388528051237
Energy: 0.9554932242338631
Energy: 0.8729388528046953
Energy: 0.9554932242351486
Energy: 0.872938852804267
Energy: 0.824627148504107
Energy: 1.0030199347490578
Energy: 0.8246271485023933
Energy: 1.0030199347490578
Energy: 0.8246271485036787
Energy: 0.9718441033893286
Energy: 0.9149538295821509
Energy: 0.9238330399523265
Energy: 0.9149538295804369
Energy: 0.9238330399523265
Energy: 0.9149538295825794
Energy: 0.9238330399523265
Energy: 0.9373675908675105
Energy: 1.1177469336809482
Energy: 0.9373675908653681
Energy: 1.1177469336805197
Energy: 0.9373675908662252
Energy: 1.1177469336809482
Energy: 0.9017291548575074
Energy: 0.9381025964082909
Energy: 0.901729154856222
Energy: 0.9381025964040062
Energy: 0.9017291548583644
Energy: 0.9381025964091477
Energy: 0.9137149357998484
Energy: 0.8877241863136467
Energy: 0.9137149357989917
Energy: 0.9455452065434469
Energy: 0.9137149357998484
Energy: 0.9083711866470141
Energy: 0.9018077035623631
Energy: 0.9381891820761188
Energy: 0.9018077035623631
Energy: 0.9381891820761188
Energy: 0.9018077035666089
Energy: 0.938189182074405
Energy: 0.9375117404602102
Energy: 1.1174333792963829
Energy: 0.937511740459782
Energy: 1.1174333792963829
Energy: 0.9375117404593535
Energy: 1.1174333792959545
Energy: 0.9149866208025212
Energy: 0.923590951633071
Energy: 0.9149866208033783
Energy: 0.923590951633071
Energy: 0.9149866208033783
Energy: 0.923590951633071
Energy: 0.8246735909129045
Energy: 1.0031222543747123
Energy: 0.8246735909150467
Energy: 1.0031222543738554
Energy: 0.8246735909133327
Energy: 1.003122254374284
Energy: 0.9557302310294562
Energy: 0.8731283112320749
Energy: 0.9557302310238861
Energy: 0.8731283112325035
Energy: 0.9557302310234577
Energy: 0.8731283112320749
Energy: 0.8993530767696866
Energy: 0.9890578832332647
Energy: 0.8993530767718287
Energy: 0.9890578832332647
Energy: 0.899353076770115
Energy: 0.9890578832336933
Energy: 0.9155345842224102
Energy: 0.8776127724280648
Energy: 0.9155345842224102
Energy: 0.8776127724280648
Energy: 0.9155345842215533
Energy: 0.8776127724284932
Energy: 0.9849615278564399
Energy: 0.8737187611945421
Energy: 0.9849615278560113
Energy: 0.8737187611941136
Energy: 0.9849615278564399
Energy: 0.8737187611932565
Energy: 0.8257666878385346
Energy: 0.9406100088488767
Energy: 0.8257666878381061
Energy: 0.9406100088561608
Energy: 0.8257666878381061
Energy: 0.9406100088561608
Energy: 0.9018944172342975
Energy: 0.9726043437655294
Energy: 0.9018944172347261
Energy: 0.9586171590627075
Energy: 0.9018944172334405
Energy: 0.9586171590627075
Energy: 0.9236094760527451
Energy: 0.9482933753636718
Energy: 0.9236094760523166
Energy: 0.9482933753623862
Energy: 0.9236094760540304
Energy: 0.9482933753628148
Energy: 0.9016057491755799
Energy: 0.994732223312513
Energy: 0.9016057491738662
Energy: 0.9947322233146554
Energy: 0.9016057491755799
Energy: 0.9947322233137983
Energy: 0.9032734153479769
Energy: 0.8843982891223725
Energy: 0.9032734153458344
Energy: 0.8843982891215156
Energy: 0.903273415351833
Energy: 0.8843982891223725
Energy: 0.9358065030201401
Energy: 0.8685679792248203
Energy: 0.9358065030209971
Energy: 0.8685679792252489
Energy: 0.9358065030214255
Energy: 0.8685679792248203
Energy: 0.9020166042646868
Energy: 0.8526977622769935
Energy: 0.9020166042616875
Energy: 0.8526977622774219
Energy: 0.9020166042625445
Energy: 0.8526977622774219
Energy: 0.8253414365131226
Energy: 0.9228129452990358
Energy: 0.8253414365131226
Energy: 0.9228129452977892
Energy: 0.8253414365122658
Energy: 0.9228129452986072
Energy: 0.9856405522727911
Energy: 0.9450816102522984
Energy: 0.985640552273648
Energy: 0.9450816102527269
Energy: 0.9856405522745049
Energy: 0.9450816102527269
Energy: 0.8979644516793411
Energy: 0.8575387155776046
Energy: 0.8979644516797696
Energy: 0.8575387155767478
Energy: 0.8979644516797696
Energy: 0.8575387155771762
Energy: 1.001199613335019
Energy: 0.8916609957543871
Energy: 1.001199613334162
Energy: 0.891660995755244
Energy: 1.0011996133337338
Energy: 0.891660995755244
Energy: 0.8980666930656073
Energy: 0.8527065799802056
Energy: 0.8980666930668927
Energy: 0.8527065799806341
Energy: 0.8980666930664641
Energy: 0.8527065799806341
Energy: 0.9855574292110172
Energy: 0.9449760278219926
Energy: 0.9855574292093032
Energy: 0.944976027818565
Energy: 0.9855574292110172
Energy: 0.9449760278172795
Energy: 0.8253706115219502
Energy: 0.9363285412732212
Energy: 0.8253706115249496
Energy: 0.9363285412727927
Energy: 0.8253706115219502
Energy: 0.936328541274078
Energy: 0.9035537648527072
Energy: 0.8529029813835896
Energy: 0.903553764854421
Energy: 0.8529029813835896
Energy: 0.9035537648557063
Energy: 0.8529029813835896

minimum gb energy = 0.8107907857654851 eV
minimum distance =  2.3056271253098 Angstroms
sigma value = 57


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

Energy: 0.9234477175409856
Energy: 0.828094397347224
Energy: 0.9234477175402878
Energy: 0.8280943973465263
Energy: 0.9234477175395902
Energy: 0.8280943973465263
Energy: 0.8234375470530771
Energy: 0.8015485540617934
Energy: 0.8234375470509843
Energy: 0.8015485540631886
Energy: 0.8234375470565654
Energy: 0.8015485540624909
Energy: 0.9282816284646007
Energy: 0.8831871674986306
Energy: 0.9282816284646007
Energy: 0.8831871674986306
Energy: 0.9282816284652984
Energy: 0.8831871674986306
Energy: 0.7857348852506831
Energy: 0.8854506512168535
Energy: 0.7857348852492878
Energy: 0.8854506512133652
Energy: 0.7857348852492878
Energy: 0.8854506512133652
Energy: 0.8261878883840907
Energy: 0.7577895363171864
Energy: 0.8261878883854858
Energy: 0.7577895363171864
Energy: 0.8261878883889742
Energy: 0.7577895363164888
Energy: 0.8849161437722609
Energy: 0.8117566675960922
Energy: 0.8849161437729587
Energy: 0.81175666759679
Energy: 0.8849161437722609
Energy: 0.8117566675974875
Energy: 0.7736757765553735
Energy: 0.8584654192229625
Energy: 0.7736757765553735
Energy: 0.8584654192236599
Energy: 0.7736757765539782
Energy: 0.8584654192236599
Energy: 1.0450126909789947
Energy: 0.8383044080427502
Energy: 1.0450126909796922
Energy: 0.8383044080462384
Energy: 1.0450126909789947
Energy: 0.8383044080406573
Energy: 0.8141495777355896
Energy: 0.8141118488481083
Energy: 0.8141495777355896
Energy: 0.8141118488481083
Energy: 0.814149577734892
Energy: 0.8141118488474104
Energy: 0.8324064044903473
Energy: 0.826365599756174
Energy: 0.8324064044854637
Energy: 0.826365599756174
Energy: 0.8324064044875567
Energy: 0.8263655997554762
Energy: 0.7722480804830448
Energy: 0.924556095818812
Energy: 0.7722480804865332
Energy: 0.9245560958195097
Energy: 0.772248080488626
Energy: 0.9245560958209049
Energy: 0.8488562795976221
Energy: 0.7804737934960789
Energy: 0.8488562795983197
Energy: 0.7804737934960789
Energy: 0.8488562795983197
Energy: 0.7804737934960789
Energy: 0.831302014925198
Energy: 0.8927261152345967
Energy: 0.8313020149258957
Energy: 0.8927261152338991
Energy: 0.831302014925198
Energy: 0.8927261152352942
Energy: 0.7825813998758571
Energy: 0.8631463781238058
Energy: 0.7825813998751594
Energy: 0.8631463781203176
Energy: 0.7825813998765547
Energy: 0.8631463781210152
Energy: 0.9141355687048526
Energy: 0.8224435785764386
Energy: 0.9141355687062479
Energy: 0.8224435785764386
Energy: 0.9141355687048526
Energy: 0.822443578577136
Energy: 0.8290924564452504
Energy: 0.8272845034050046
Energy: 0.8290924564445528
Energy: 0.827284503404307
Energy: 0.8290924564459481
Energy: 0.8272845034057024
Energy: 0.8370874650724692
Energy: 0.9381880185522217
Energy: 0.8370874650724692
Energy: 0.9381880185522217
Energy: 0.8370874650710739
Energy: 0.9381880185522217
Energy: 0.8799222473678041
Energy: 0.91397223208332
Energy: 0.8799222473657113
Energy: 0.91397223208332
Energy: 0.8799222473650137
Energy: 0.9139722320840176
Energy: 0.7830997208786724
Energy: 0.88560424454426
Energy: 0.7830997208765795
Energy: 0.8856042445449577
Energy: 0.7830997208786724
Energy: 0.8856042445400741
Energy: 0.78233275651781
Energy: 0.887737225501705
Energy: 0.7823327565185078
Energy: 0.887737225501705
Energy: 0.7823327565199031
Energy: 0.8877372255010073
Energy: 0.8700647411949218
Energy: 0.884797358631387
Energy: 0.8700647411998053
Energy: 0.8847973586285963
Energy: 0.8700647411991076
Energy: 0.884797358629294
Energy: 0.7721201562789324
Energy: 0.9868666891552659
Energy: 0.7721201562789324
Energy: 0.9868666891545682
Energy: 0.7721201562789324
Energy: 0.9868666891552659
Energy: 0.8506210423372255
Energy: 0.8463252778687032
Energy: 0.8506210423344348
Energy: 0.8463252778687032
Energy: 0.8506210423358302
Energy: 0.8463252778687032
Energy: 0.8372328525536739
Energy: 0.9873028002216575
Energy: 0.8372328525543716
Energy: 0.9873028002216575
Energy: 0.8372328525529764
Energy: 0.9873028002216575
Energy: 0.8375887658246353
Energy: 1.050884615806033
Energy: 0.8375887658281235
Energy: 1.050884615805335
Energy: 0.8375887658281235
Energy: 1.050884615805335
Energy: 0.8281262397037469
Energy: 0.8461417629842687
Energy: 0.8281262397023516
Energy: 0.8461417629849664
Energy: 0.8281262397023516
Energy: 0.8461417629842687
Energy: 0.771545126265043
Energy: 0.8860491874780132
Energy: 0.771545126267136
Energy: 0.8860491874738274
Energy: 0.7715451262664382
Energy: 0.8860491874759202

minimum gb energy = 0.7577895363164888 eV
minimum distance =  2.28407517041728 Angstroms
sigma value = 43


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

Energy: 0.7886077442843643
Energy: 0.7553883507918702
Energy: 0.7886077442838559
Energy: 0.7553883507913617
Energy: 0.7886077442848727
Energy: 0.7553883507918702
Energy: 0.8223184370006574
Energy: 0.7586544112604221
Energy: 0.8223184370011656
Energy: 0.7586544112594055
Energy: 0.8223184370021823
Energy: 0.7586544112604221
Energy: 0.8141590498082795
Energy: 0.8076380317090854
Energy: 0.8141590498073091
Energy: 0.8076380317085772
Energy: 0.8141590498082795
Energy: 0.8076380317095938
Energy: 0.8608711379594453
Energy: 0.7806624306042771
Energy: 0.860871137960462
Energy: 0.7806624306047855
Energy: 0.8608711379599536
Energy: 0.7806624306052937
Energy: 0.813624919459542
Energy: 0.7249336358622122
Energy: 0.8136249194625916
Energy: 0.7249336358627205
Energy: 0.8136249194615752
Energy: 0.7249336358622122
Energy: 0.765653307082622
Energy: 0.7355339297846987
Energy: 0.7656533070831304
Energy: 0.7355339297846987
Energy: 0.7656533070836387
Energy: 0.735533929785207
Energy: 0.696270901617835
Energy: 0.7550325327654205
Energy: 0.6962709016183434
Energy: 0.755032532764404
Energy: 0.6962709016183434
Energy: 0.7550325327649122
Energy: 0.8133419015614505
Energy: 0.6685377796963969
Energy: 0.8133419015624669
Energy: 0.6685377796963969
Energy: 0.8133419015645001
Energy: 0.6685377796963969
Energy: 0.7326816654845018
Energy: 0.7274559623764979
Energy: 0.7326816654855183
Energy: 0.7274559623775144
Energy: 0.7326816654839935
Energy: 0.7274559623764979
Energy: 0.823356249304925
Energy: 0.7186223816627595
Energy: 0.8233562493039085
Energy: 0.7186223816627595
Energy: 0.8233562493044166
Energy: 0.7186223816627595
Energy: 0.8868923910557298
Energy: 0.8704443509842719
Energy: 0.8868923910552216
Energy: 0.8704443509847801
Energy: 0.8868923910557298
Energy: 0.8704443509847801
Energy: 0.6986090956924179
Energy: 0.7288455111246231
Energy: 0.6986090956939429
Energy: 0.7288455111256398
Energy: 0.6986090956924179
Energy: 0.7288455111251314
Energy: 0.8208553947099775
Energy: 0.6860111758151763
Energy: 0.8208553947094691
Energy: 0.6860111758156845
Energy: 0.8208553947099775
Energy: 0.6860111758161929
Energy: 0.8875804172033345
Energy: 0.8754542696502619
Energy: 0.8875804172043511
Energy: 0.8754542696502619
Energy: 0.8875804172038428
Energy: 0.8754542696502619
Energy: 0.7147060547675684
Energy: 0.7259192506913192
Energy: 0.7147060547680768
Energy: 0.7259192506908111
Energy: 0.7147060547690934
Energy: 0.7259192506908111
Energy: 0.768917317437702
Energy: 0.7615805271674526
Energy: 0.7689173174382102
Energy: 0.7615805271674526
Energy: 0.7689173174387185
Energy: 0.7615805271674526
Energy: 0.6944368566678699
Energy: 0.8744551858939036
Energy: 0.6944368566658367
Energy: 0.874455185894412
Energy: 0.6944368566668533
Energy: 0.874455185894412
Energy: 0.7404611715161173
Energy: 0.6882504858177528
Energy: 0.7404611715161173
Energy: 0.6882504858172445
Energy: 0.7404611715161173
Energy: 0.6882504858182611
Energy: 0.7375371559926214
Energy: 0.8108072857790561
Energy: 0.7375371559931297
Energy: 0.8108072857790561
Energy: 0.737537155993638
Energy: 0.8108072857790561
Energy: 0.7312196032352045
Energy: 0.7989216839336355
Energy: 0.7312196032357129
Energy: 0.7989216839336355
Energy: 0.7312196032362213
Energy: 0.7989216839336355
Energy: 0.8005663139838401
Energy: 0.7348264560745152
Energy: 0.8005663139823614
Energy: 0.7348264560745152
Energy: 0.8005663139823614
Energy: 0.7348264560750236
Energy: 0.7560236901867204
Energy: 0.8139624844991736
Energy: 0.7560236901867204
Energy: 0.8139624844991736
Energy: 0.7560236901872287
Energy: 0.8139624844991736
Energy: 0.7802123268385771
Energy: 0.8142373803742096
Energy: 0.7802123268385771
Energy: 0.814237380374718
Energy: 0.7802123268395939
Energy: 0.8142373803742096
Energy: 0.7790715528380772
Energy: 0.7370017406501791
Energy: 0.7790715528370605
Energy: 0.7370017406501791
Energy: 0.7790715528360901
Energy: 0.7370017406511956
Energy: 0.6973829225307161
Energy: 0.7976570978773032
Energy: 0.6973829225317327
Energy: 0.7976570978773032
Energy: 0.6973829225317327
Energy: 0.7976570978778115
Energy: 0.7188261872193157
Energy: 0.7811710524060186
Energy: 0.7188261872188074
Energy: 0.7811710524060186
Energy: 0.7188261872198239
Energy: 0.7811710524060186
Energy: 0.7806564905341034
Energy: 0.7153428385169932
Energy: 0.7806564905335951
Energy: 0.7153428385175016
Energy: 0.78065649053512
Energy: 0.7153428385180098
Energy: 0.660428485903308
Energy: 0.794585267967449
Energy: 0.6604284859043246
Energy: 0.7945852679684655
Energy: 0.6604284859022913
Energy: 0.7945852679679573
Energy: 0.7185767144051971
Energy: 0.7319247375698084
Energy: 0.7185767144051971
Energy: 0.7319247375698084
Energy: 0.7185767144046888
Energy: 0.7319247375703167
Energy: 0.7144749061780583
Energy: 0.6672094162842872
Energy: 0.7144749061795831
Energy: 0.6672094162883536
Energy: 0.7144749061785666
Energy: 0.6672094162847956
Energy: 0.6489304528099935
Energy: 0.7915801003417388
Energy: 0.6489304528094852
Energy: 0.791580100342247
Energy: 0.6489304528105018
Energy: 0.7915801003407222
Energy: 0.7191586116519338
Energy: 0.7087406922635129
Energy: 0.7191586116519338
Energy: 0.7087406922635129
Energy: 0.7191586116519338
Energy: 0.7087406922630046
Energy: 0.6929485533420536
Energy: 0.7987948396034957
Energy: 0.692948553342562
Energy: 0.798794839605529
Energy: 0.6929485533430704
Energy: 0.7987948396034957
Energy: 0.8833225154171831
Energy: 0.7125104179712487
Energy: 0.8833225154171831
Energy: 0.7125104179702321
Energy: 0.8833225154166747
Energy: 0.7125104179702321
Energy: 0.7206775253372206
Energy: 0.6901974230729548
Energy: 0.7206775253367123
Energy: 0.6901974230729548
Energy: 0.7206775253372206
Energy: 0.6901974230729548
Energy: 0.6477280602389202
Energy: 0.7958532987698583
Energy: 0.6477280602409533
Energy: 0.7958532987703666
Energy: 0.6477280602389202
Energy: 0.7958532987698583

minimum gb energy = 0.6477280602389202 eV
minimum distance =  2.25470167094871 Angstroms
sigma value = 81


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

Energy: 0.06977134236520638
Energy: 0.12198122115730908
Energy: 0.06977134236520638
Energy: 0.12198122115730908
Energy: 0.06977134236520638
Energy: 0.12198122115730908
Energy: 0.5966687181564634
Energy: 0.07171246644967762
Energy: 0.5966687181564634
Energy: 0.07171246644967762
Energy: 0.5966687181564634
Energy: 0.07171246645154526
Energy: 0.5967207613048627
Energy: 0.07143341697223553
Energy: 0.5967207613048627
Energy: 0.07143341697223553
Energy: 0.5967207613048627
Energy: 0.07143341697223553
Energy: 0.06977134236520638
Energy: 0.12198122115730908
Energy: 0.06977134236520638
Energy: 0.12198122115730908
Energy: 0.06977134236520638
Energy: 0.12198122115730908
Energy: 0.5966687181564634
Energy: 0.07171246645154526
Energy: 0.5966687181564634
Energy: 0.07171246644967762
Energy: 0.5966687181564634
Energy: 0.07171246645154526
Energy: 0.5967207613048627
Energy: 0.0714334169629398
Energy: 0.5967207613048627
Energy: 0.0714334169629398
Energy: 0.5967207613048627
Energy: 0.0714334169629398
Energy: 0.06977134236520638
Energy: 0.12198122115730908
Energy: 0.06977134236520638
Energy: 0.12198122115730908
Energy: 0.06977134236520638
Energy: 0.12198122115730908
Energy: 0.5966687181564634
Energy: 0.07171246645154526
Energy: 0.5966687181583311
Energy: 0.07171246645154526
Energy: 0.5966687181583311
Energy: 0.07171246645341288
Energy: 0.5967207613048627
Energy: 0.07143341698344136
Energy: 0.5967207613048627
Energy: 0.07143341698530899
Energy: 0.5967207613048627
Energy: 0.07143341698530899
Energy: 0.06977134236520638
Energy: 0.12198122115730908
Energy: 0.06977134236520638
Energy: 0.12198122115544145
Energy: 0.06977134236520638
Energy: 0.12198122115730908

minimum gb energy = 0.06977134236520638 eV
minimum distance =  2.46565902440259 Angstroms
sigma value = 3


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

Energy: 0.8610568159760069
Energy: 0.7170592068904381
Energy: 0.8610568159760069
Energy: 0.717059206890997
Energy: 0.8610568159760069
Energy: 0.7170592068904381
Energy: 0.7189259752092906
Energy: 0.7348255146862399
Energy: 0.7189259752098495
Energy: 0.7348255146856809
Energy: 0.7189259752098495
Energy: 0.7348255146862399
Energy: 0.7459050455332785
Energy: 0.7289893815233744
Energy: 0.7459050455332785
Energy: 0.7289893815233744
Energy: 0.7734837596433501
Energy: 0.7289893815239334
Energy: 0.8043084299945756
Energy: 0.7030255620628248
Energy: 0.8043084299940167
Energy: 0.7030255620633836
Energy: 0.8043084299945756
Energy: 0.7030255620633836
Energy: 0.6186764587060065
Energy: 0.7329409199022937
Energy: 0.6186764587043297
Energy: 0.7329409199022937
Energy: 0.6186764587043297
Energy: 0.7329409199022937
Energy: 0.7493502611039456
Energy: 0.7567168478818856
Energy: 0.7493502611039456
Energy: 0.7567168478813268
Energy: 0.7493502611039456
Energy: 0.7567168478818856
Energy: 0.7496025102808881
Energy: 0.7107427123755239
Energy: 0.7496025102820059
Energy: 0.7107427123760319
Energy: 0.7496025102808881
Energy: 0.7107427123760319
Energy: 0.6152834438696709
Energy: 0.7205166713525077
Energy: 0.6152834438685532
Energy: 0.720516671351949
Energy: 0.6152834438685532
Energy: 0.720516671351949
Energy: 0.7569935797223414
Energy: 0.7599961113116372
Energy: 0.7569935797178702
Energy: 0.7599961113110785
Energy: 0.756993579718988
Energy: 0.7599961113116372
Energy: 0.6979294331953143
Energy: 0.6563520168932112
Energy: 0.6979294331958732
Energy: 0.6563520168937701
Energy: 0.6979294331958732
Energy: 0.6563520168937701
Energy: 0.6539711918037082
Energy: 0.7213805288683407
Energy: 0.6539711918042671
Energy: 0.7213805288677817
Energy: 0.6539711918025904
Energy: 0.7213805288683407
Energy: 0.7779000640666679
Energy: 0.7903308574580438
Energy: 0.7779000640666679
Energy: 0.7903308574580438
Energy: 0.7779000640661089
Energy: 0.7903308574580438
Energy: 0.7354567700860783
Energy: 0.6228621483862957
Energy: 0.7354567700855195
Energy: 0.6228621483868545
Energy: 0.7354567700866372
Energy: 0.6228621483868545
Energy: 0.6797099203027014
Energy: 0.7732246982000768
Energy: 0.6797099203015837
Energy: 0.7732246982000768
Energy: 0.6797099203021425
Energy: 0.7732246981995179
Energy: 0.7509749337475238
Energy: 0.767185433089403
Energy: 0.7509749337469649
Energy: 0.767185433089403
Energy: 0.7509749337475238
Energy: 0.767185433089403
Energy: 0.7327596255069284
Energy: 0.6149396423297608
Energy: 0.7327596255046929
Energy: 0.6149396423280842
Energy: 0.7327596255063695
Energy: 0.6149396423280842
Energy: 0.7264321720361597
Energy: 0.7968793583636573
Energy: 0.7264321720361597
Energy: 0.7968793583636573
Energy: 0.7264321720361597
Energy: 0.7968793583636573
Energy: 0.7375896487076024
Energy: 0.7419160733891599
Energy: 0.7375896487070435
Energy: 0.7419160733891599
Energy: 0.7375896487076024
Energy: 0.7419160733891599
Energy: 0.7620241911713936
Energy: 0.708443085839578
Energy: 0.7620241911702758
Energy: 0.7084430858401369
Energy: 0.7620241911708346
Energy: 0.708443085839578
Energy: 0.711222106456219
Energy: 0.8447883938957194
Energy: 0.71122210645566
Energy: 0.8447883938962784
Energy: 0.711222106456219
Energy: 0.8447883938962784
Energy: 0.7702074292114379
Energy: 0.7235266168265764
Energy: 0.7702074292119967
Energy: 0.723526616827135
Energy: 0.7702074292119967
Energy: 0.723526616827135
Energy: 0.7616945335695154
Energy: 0.7184830567353339
Energy: 0.7616945335700744
Energy: 0.7184830567358926
Energy: 0.7616945335695154
Energy: 0.7184830567353339
Energy: 0.7310953335052225
Energy: 0.7747401446591015
Energy: 0.7310953335046636
Energy: 0.7747401446585425
Energy: 0.7310953335046636
Energy: 0.7747401446591015
Energy: 0.742361293059007
Energy: 0.7071303084523758
Energy: 0.742361293059566
Energy: 0.7071303084523758
Energy: 0.742361293059566
Energy: 0.7071303084523758
Energy: 0.7628806523390705
Energy: 0.7463442347870964
Energy: 0.7628806523385117
Energy: 0.7463442347870964
Energy: 0.7628806523385117
Energy: 0.7463442347870964
Energy: 0.7000122291616203
Energy: 0.7656042478750232
Energy: 0.7000122291610613
Energy: 0.7656042478755821
Energy: 0.7000122291616203
Energy: 0.7656042478761411
Energy: 0.8172285793041965
Energy: 0.6214645177324173
Energy: 0.8172285793041965
Energy: 0.6214645177324173
Energy: 0.8172285793041965
Energy: 0.6214645177318584
Energy: 0.7513396540611423
Energy: 0.7607544223121929
Energy: 0.7513396540617013
Energy: 0.7607544223116341
Energy: 0.7513396540622601
Energy: 0.7607544223121929
Energy: 0.6790525516772136
Energy: 0.7332278652773654
Energy: 0.6790525516772136
Energy: 0.7332278652773654
Energy: 0.6790525516772136
Energy: 0.7332278652768064
Energy: 0.8252313883275834
Energy: 0.6632331695884036
Energy: 0.8252313883281422
Energy: 0.6632331695889626
Energy: 0.8252313883275834
Energy: 0.6632331695884036
Energy: 0.7586252791099243
Energy: 0.7568375834837088
Energy: 0.7586252791104833
Energy: 0.7568375834837088
Energy: 0.7586252791110422
Energy: 0.7568375834837088
Energy: 0.6512123893534045
Energy: 0.7180174107733738
Energy: 0.6512123893489334
Energy: 0.7180174107739326
Energy: 0.6512123893517279
Energy: 0.7180174107739326
Energy: 0.7637478061214069
Energy: 0.7180077094615079
Energy: 0.7637478061219659
Energy: 0.7180077094620668
Energy: 0.7637478061214069
Energy: 0.7180077094609489

minimum gb energy = 0.6149396423280842 eV
minimum distance =  2.29532189749983 Angstroms
sigma value = 67


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

Energy: 0.9875079201867957
Energy: 0.8734579035443097
Energy: 0.9875079201859992
Energy: 0.8734579035443097
Energy: 0.9875079201867957
Energy: 0.8734579035443097
Energy: 0.866417333115011
Energy: 0.8947920963618948
Energy: 0.866417333115011
Energy: 0.8947920963626911
Energy: 0.866417333115011
Energy: 0.8947920963618948
Energy: 0.9227807269569109
Energy: 0.9251389682303898
Energy: 0.9227807269569109
Energy: 0.9251389682303898
Energy: 0.9227807269577072
Energy: 0.9251389682303898
Energy: 0.9386228008013517
Energy: 0.8604161249852192
Energy: 0.9386228008021481
Energy: 0.8604161249860155
Energy: 0.9386228008013517
Energy: 0.8604161249852192
Energy: 0.7695059516103918
Energy: 0.8483343164036268
Energy: 0.7695059516119844
Energy: 0.8483343164036268
Energy: 0.7695059516111882
Energy: 0.848334316404423
Energy: 0.9187544480238267
Energy: 0.9130309756947557
Energy: 0.9187544480230303
Energy: 0.9130309756955519
Energy: 0.9187544480238267
Energy: 0.9130309756955519
Energy: 0.8618235701821482
Energy: 0.8360197313809344
Energy: 0.8618235701813518
Energy: 0.8360197313809344
Energy: 0.8618235701813518
Energy: 0.8360197313809344
Energy: 0.8333792021746245
Energy: 0.8392091176954595
Energy: 0.8333792021722355
Energy: 0.8392091176954595
Energy: 0.8333792021714391
Energy: 0.8392091176954595
Energy: 0.9451725253485553
Energy: 0.9565824133299172
Energy: 0.9451725253477591
Energy: 0.9565824133307136
Energy: 0.9451725253477591
Energy: 0.9565824133299172
Energy: 0.9035402985091321
Energy: 0.78758570957316
Energy: 0.9035402985091321
Energy: 0.7875857095723636
Energy: 0.9035402985091321
Energy: 0.7875857095723636
Energy: 0.877186379949311
Energy: 0.9178648536084788
Energy: 0.8771863799477182
Energy: 0.9178648536084788
Energy: 0.8771863799477182
Energy: 0.9178648536084788
Energy: 0.8699680551419995
Energy: 0.9066043289919824
Energy: 0.869968055142796
Energy: 0.9066043289919824
Energy: 0.8699680551419995
Energy: 0.9066043289927788
Energy: 0.9024470542718646
Energy: 0.8541823221638281
Energy: 0.9024470542710683
Energy: 0.8541823221638281
Energy: 0.9024470542718646
Energy: 0.8541823221638281
Energy: 0.8620141345353957
Energy: 0.9436379839675433
Energy: 0.8620141345338029
Energy: 0.9436379839683396
Energy: 0.8620141345353957
Energy: 0.9436379839683396
Energy: 0.871236864141853
Energy: 0.8629274776016865
Energy: 0.8712368641434455
Energy: 0.8629274776016865
Energy: 0.8712368641434455
Energy: 0.8629274776016865
Energy: 0.9413741558634724
Energy: 0.8823051765401148
Energy: 0.9413741558618797
Energy: 0.8823051765401148
Energy: 0.9413741558618797
Energy: 0.8823051765401148
Energy: 0.8902557425815946
Energy: 0.9342940265975258
Energy: 0.89025574258478
Energy: 0.9342940265983223
Energy: 0.8902557425815946
Energy: 0.9342940265975258
Energy: 0.899255651611016
Energy: 0.847166506633499
Energy: 0.8992556516102196
Energy: 0.847166506633499
Energy: 0.899255651611016
Energy: 0.847166506633499
Energy: 0.9180097640937587
Energy: 0.9262382317136039
Energy: 0.9180097640945549
Energy: 0.9262382317136039
Energy: 0.9180097640953513
Energy: 0.9262382317128075
Energy: 0.7738977666131047
Energy: 0.9437856931957739
Energy: 0.7738977666036208
Energy: 0.9437856931957739
Energy: 0.7738977666036208
Energy: 0.9437856931957739
Energy: 0.9431239080469093
Energy: 0.8568862535214651
Energy: 0.9431239080477057
Energy: 0.8568862535198722
Energy: 0.9431239080477057
Energy: 0.8568862535214651
Energy: 0.9434082696578253
Energy: 0.9657084655662849
Energy: 0.9434082696586218
Energy: 0.9657084655670811
Energy: 0.9434082696578253
Energy: 0.9657084655678776
Energy: 0.8227907637218543
Energy: 0.926395933680978
Energy: 0.8227907637194654
Energy: 0.926395933680978
Energy: 0.8227907637210579
Energy: 0.9263959336801815

minimum gb energy = 0.7695059516103918 eV
minimum distance =  2.31956447375295 Angstroms
sigma value = 33


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

Energy: 1.0718914066396146
Energy: 0.9492129105827479
Energy: 1.0718914066411305
Energy: 0.9492129105832531
Energy: 1.07189140664012
Energy: 0.9492129105827479
Energy: 0.9563988377992381
Energy: 0.9871553112532425
Energy: 0.9563988377957017
Energy: 0.9871553112527374
Energy: 0.9563988377957017
Energy: 0.9871553112527374
Energy: 1.0214505396569045
Energy: 1.0066474144780737
Energy: 1.0214505396579148
Energy: 1.0066474144780737
Energy: 1.0214505396574096
Energy: 1.0066474144785789
Energy: 1.0250234184719247
Energy: 0.9767832295400992
Energy: 1.0250234184709142
Energy: 0.9767832295400992
Energy: 1.0250234184709142
Energy: 0.9767832295400992
Energy: 0.9668121149569516
Energy: 0.9821676919242684
Energy: 0.966812114957457
Energy: 0.9821676919252789
Energy: 0.9668121149569516
Energy: 0.9821676919237633
Energy: 1.084371962607544
Energy: 1.0160132312645362
Energy: 1.0843719626060286
Energy: 1.0160132312645362
Energy: 1.084371962607544
Energy: 1.0442366218719723
Energy: 0.9565118302352492
Energy: 0.9216407817030522
Energy: 0.956511830234744
Energy: 0.9216407817035575
Energy: 0.9565118302352492
Energy: 0.921640781702042
Energy: 0.9492836690999119
Energy: 1.0184013981530662
Energy: 0.9492836690994066
Energy: 1.0184013981525608
Energy: 0.9492836690994066
Energy: 1.0184013981530662
Energy: 0.9742012596476667
Energy: 1.023982593293827
Energy: 0.9742012596476667
Energy: 1.0239825932943323
Energy: 0.9742012596466562
Energy: 1.023982593293827
Energy: 1.0629905062751572
Energy: 0.9363310553764685
Energy: 1.0629905062761678
Energy: 0.9575722138713642
Energy: 1.0629905062761678
Energy: 0.9575722138713642
Energy: 0.9969832617125038
Energy: 1.010065698394777
Energy: 0.9969832617119987
Energy: 1.010065698395282
Energy: 0.9969832617114937
Energy: 1.010065698394777
Energy: 0.9586891724572817
Energy: 0.9648241318511608
Energy: 0.9586891724562713
Energy: 0.9648241318511608
Energy: 0.9586891724577868
Energy: 0.9648241318511608
Energy: 1.0632718370555014
Energy: 0.966047372809776
Energy: 1.0632718370555014
Energy: 0.966047372809776
Energy: 1.063271837054491
Energy: 0.966047372809776
Energy: 0.9609922314123339
Energy: 1.010095688322233
Energy: 0.9609922314133444
Energy: 1.010095688322738
Energy: 0.9609922314123339
Energy: 1.010095688322738
Energy: 0.994063720561638
Energy: 0.9838084443036754
Energy: 0.9940637205626485
Energy: 0.9838084443036754
Energy: 0.994063720561638
Energy: 0.9838084443036754
Energy: 1.0247512342408047
Energy: 1.023916955770638
Energy: 1.0247512342408047
Energy: 1.0239169557701329
Energy: 1.0247512342408047
Energy: 1.0239169557701329
Energy: 0.8912997437001744
Energy: 1.0073332020095669
Energy: 0.891299743699164
Energy: 1.0073332020090617
Energy: 0.8912997437032055
Energy: 1.007333202010072
Energy: 1.0472373261157637
Energy: 1.0638904035202248
Energy: 1.0472373261147534
Energy: 1.0638904035202248
Energy: 1.0472373261157637
Energy: 1.0638904035202248
Energy: 0.9519775550357085
Energy: 1.0327104460669565
Energy: 0.9519775550367187
Energy: 1.0327104460669565
Energy: 0.9519775550367187
Energy: 1.032710446067967
Energy: 0.9492200559525082
Energy: 1.0078917974077917
Energy: 0.9492200559509926
Energy: 1.0078917974093071
Energy: 0.9492200559514978
Energy: 1.0078917974077917
Energy: 1.0233036972357348
Energy: 1.0214872076554984
Energy: 1.0233036972347245
Energy: 1.0214872076549932
Energy: 1.0233036972352296
Energy: 1.0214872076554984
Energy: 0.9894240314878587
Energy: 0.9463705773778152
Energy: 0.9894240314883641
Energy: 0.9463705773778152
Energy: 0.9894240314888691
Energy: 0.9463705773778152
Energy: 0.9845233249588288
Energy: 1.0097611178253332
Energy: 0.9845233249583237
Energy: 1.0097611178263435
Energy: 0.9845233249578186
Energy: 1.0097611178258386
Energy: 1.0621840164688712
Energy: 0.9608025279026695
Energy: 1.0621840164688712
Energy: 0.96080252790368
Energy: 1.0621840164668503
Energy: 0.9608025279026695
Energy: 0.9559295167283445
Energy: 0.959637924065571
Energy: 0.9559295167278393
Energy: 0.9596379240645605
Energy: 0.9559295167283445
Energy: 0.9596379240650658
Energy: 0.9943826741481042
Energy: 1.0237203484471622
Energy: 0.9943826741475992
Energy: 1.0237203484466568
Energy: 0.9943826741481042
Energy: 1.0237203484471622
Energy: 0.956563430632917
Energy: 0.9463905002107759
Energy: 0.9565634306324119
Energy: 0.9463905002107759
Energy: 0.9565634306314015
Energy: 0.9463905002107759
Energy: 1.0208356925216235
Energy: 1.0647699454139308
Energy: 1.0208356925221291
Energy: 1.0647699454139308
Energy: 1.0208356925226343
Energy: 1.0647699454139308
Energy: 0.9487803412411275
Energy: 0.9828794946007192
Energy: 0.9487803412416327
Energy: 0.9828794946012244
Energy: 0.9487803412406224
Energy: 0.9828794946007192
Energy: 0.9514234472914042
Energy: 0.9178207113980129
Energy: 0.9514234472934249
Energy: 0.9178207113985183
Energy: 0.9514234472934249
Energy: 0.9178207113990234
Energy: 1.0793053196685407
Energy: 1.0628550339250673
Energy: 1.0793053196690459
Energy: 1.0628550339250673
Energy: 1.0793053196685407
Energy: 1.0628550339250673
Energy: 0.9073540693607249
Energy: 1.0237577489510967
Energy: 0.9073540693612302
Energy: 1.0237577489510967
Energy: 0.9073540693602199
Energy: 1.0237577489510967
Energy: 1.0244523614599483
Energy: 1.002504156835023
Energy: 1.0244523614594434
Energy: 1.002504156835023
Energy: 1.0244523614594434
Energy: 1.0025041568355284
Energy: 0.991192438333204
Energy: 0.9869625952261476
Energy: 0.9911924383342146
Energy: 0.986962595226653
Energy: 0.9911924383337094
Energy: 0.986962595226653
Energy: 0.9600353245319047
Energy: 1.0071856898107698
Energy: 0.9600353245324099
Energy: 1.0071856898107698
Energy: 0.9600353245319047
Energy: 1.0071856898107698
Energy: 1.0736227108928902
Energy: 0.9491388494098982
Energy: 1.0736227108928902
Energy: 0.9491388494098982
Energy: 1.073622710892385
Energy: 0.9491388494098982
Energy: 0.9585655388380149
Energy: 0.9820581787989752
Energy: 0.9585655388380149
Energy: 0.9820581787989752
Energy: 0.9585655388380149
Energy: 0.9820581787989752

minimum gb energy = 0.891299743699164 eV
minimum distance =  2.28736934401595 Angstroms
sigma value = 41


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

Energy: 1.173628520631614
Energy: 1.1265573654030656
Energy: 1.173628520631614
Energy: 1.1265573654016863
Energy: 1.1736285206343726
Energy: 1.1265573654016863
Energy: 1.101365702676808
Energy: 1.128740849950672
Energy: 1.101365702676808
Energy: 1.128740849950672
Energy: 1.101365702676808
Energy: 1.128740849950672
Energy: 1.2524121599389062
Energy: 1.124460488358245
Energy: 1.2524121599389062
Energy: 1.124460488358245
Energy: 1.2524121599416649
Energy: 1.124460488358245
Energy: 1.1665306963123374
Energy: 1.1565541279143194
Energy: 1.1665306963123374
Energy: 1.1565541279143194
Energy: 1.1665306963123374
Energy: 1.1565541279143194
Energy: 1.0861879886625894
Energy: 1.1170758492431412
Energy: 1.08618798866121
Energy: 1.1170758492431412
Energy: 1.08618798866121
Energy: 1.1170758492431412
Energy: 1.246124947273312
Energy: 1.1992346837810859
Energy: 1.246124947273312
Energy: 1.1992346837797065
Energy: 1.246124947273312
Energy: 1.1992346837797065
Energy: 1.1633280273036264
Energy: 1.0758406972225556
Energy: 1.163328027305006
Energy: 1.0758406972225556
Energy: 1.163328027305006
Energy: 1.0758406972225556
Energy: 1.1627117024907585
Energy: 1.1309258977174512
Energy: 1.1627117024893794
Energy: 1.1309258977174512
Energy: 1.1627117024907585
Energy: 1.1309258977174512
Energy: 1.1062320065285882
Energy: 1.1017600601362068
Energy: 1.1062320065285882
Energy: 1.1017600601362068
Energy: 1.1062320065272089
Energy: 1.1017600601362068
Energy: 1.1663610367969954
Energy: 1.1391043327480013
Energy: 1.1663610367969954
Energy: 1.1391043327480013
Energy: 1.1663610367969954
Energy: 1.1391043327493806
Energy: 1.1048021502667316
Energy: 1.124747136938643
Energy: 1.1048021502667316
Energy: 1.124747136938643
Energy: 1.1048021502667316
Energy: 1.124747136938643
Energy: 1.1542532097659168
Energy: 1.1465205417226483
Energy: 1.1542532097645375
Energy: 1.1465205417226483
Energy: 1.1542532097659168
Energy: 1.1465205417226483
Energy: 1.1788233046364116
Energy: 1.1781604386510178
Energy: 1.1788233046364116
Energy: 1.1781604386510178
Energy: 1.1788233046364116
Energy: 1.1781604386510178
Energy: 1.0928401079702603
Energy: 1.130573468339093
Energy: 1.0928401079688808
Energy: 1.130573468339093
Energy: 1.0928401079702603
Energy: 1.130573468339093

minimum gb energy = 1.0758406972225556 eV
minimum distance =  2.27870395093091 Angstroms
sigma value = 11


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

Energy: 1.3481731992383528
Energy: 1.3119100812654998
Energy: 1.3481731992383528
Energy: 1.3119100812654998
Energy: 1.348173199237747
Energy: 1.3119100812654998
Energy: 1.214947867108187
Energy: 1.2562610458477574
Energy: 1.214947867108187
Energy: 1.2562610458477574
Energy: 1.214947867108187
Energy: 1.2562610458477574
Energy: 1.2869554788661581
Energy: 1.262732900326989
Energy: 1.2869554788625226
Energy: 1.262732900326989
Energy: 1.2869554788649464
Energy: 1.262732900326989
Energy: 1.27661929774691
Energy: 1.2184901226277653
Energy: 1.2766192977475157
Energy: 1.2184901226277653
Energy: 1.2766192977475157
Energy: 1.2184901226277653
Energy: 1.2866390628428337
Energy: 1.2565628719557898
Energy: 1.2866390628428337
Energy: 1.2565628719557898
Energy: 1.2866390628440456
Energy: 1.2565628719557898
Energy: 1.2498379918965945
Energy: 1.3037434275624362
Energy: 1.2498379918959883
Energy: 1.3037434275636481
Energy: 1.2498379918965945
Energy: 1.3037434275624362
Energy: 1.2661765646886847
Energy: 1.2470387723422318
Energy: 1.2661765646892904
Energy: 1.2470387723422318
Energy: 1.2661765646886847
Energy: 1.247038772341626
Energy: 1.2584724221041321
Energy: 1.2754075988571882
Energy: 1.2584724221041321
Energy: 1.275407598855976
Energy: 1.2584724221041321
Energy: 1.2754075988571882
Energy: 1.278439452736513
Energy: 1.2507004789214673
Energy: 1.278439452736513
Energy: 1.2507004789208616
Energy: 1.278439452737119
Energy: 1.2507004789208616
Energy: 1.2517645048794062
Energy: 1.2778637433813724
Energy: 1.2517645048794062
Energy: 1.2778637433813724
Energy: 1.2517645048794062
Energy: 1.2778637433819784
Energy: 1.2231772683467361
Energy: 1.261805844380557
Energy: 1.223177268347342
Energy: 1.2618058443799514
Energy: 1.223177268347948
Energy: 1.261805844380557
Energy: 1.2743987193301798
Energy: 1.2857704907127232
Energy: 1.2743987193295738
Energy: 1.2857704907127232
Energy: 1.2743987193301798
Energy: 1.2857704907127232
Energy: 1.2768371025940048
Energy: 1.2523796287239588
Energy: 1.2768371025940048
Energy: 1.252379628724565
Energy: 1.2768371025933989
Energy: 1.2523796287239588
Energy: 1.2676955872717701
Energy: 1.2809946424787197
Energy: 1.2676955872717701
Energy: 1.2809946424787197
Energy: 1.2676955872717701
Energy: 1.2809946424799317
Energy: 1.2103158805298493
Energy: 1.2637486031777454
Energy: 1.2103158805304552
Energy: 1.2637486031771394
Energy: 1.2103158805298493
Energy: 1.2637486031771394
Energy: 1.2680828284926648
Energy: 1.2463151563784614
Energy: 1.268082828493271
Energy: 1.2463151563802792
Energy: 1.2680828284926648
Energy: 1.2463151563790673
Energy: 1.2264376217581383
Energy: 1.2547218673918843
Energy: 1.2264376217575321
Energy: 1.2547218673918843
Energy: 1.2264376217581383
Energy: 1.2547218673912783
Energy: 1.2894983773566162
Energy: 1.2915633015417805
Energy: 1.2894983773560103
Energy: 1.2915633015423864
Energy: 1.2894983773560103
Energy: 1.2915633015429926
Energy: 1.2640350865750638
Energy: 1.2072552001751875
Energy: 1.2640350865744578
Energy: 1.2072552001751875
Energy: 1.2640350865744578
Energy: 1.2072552001763996
Energy: 1.2548581462721147
Energy: 1.2558023335361372
Energy: 1.2548581462751445
Energy: 1.2558023335355315
Energy: 1.2548581462757504
Energy: 1.2558023335355315
Energy: 1.227793663116361
Energy: 1.2459110476777462
Energy: 1.227793663115755
Energy: 1.2459110476771402
Energy: 1.227793663115755
Energy: 1.2459110476771402
Energy: 1.313572382052746
Energy: 1.3004981933940762
Energy: 1.31357238205214
Energy: 1.3004981933940762
Energy: 1.313572382052746
Energy: 1.3004981933940762
Energy: 1.2802882108696223
Energy: 1.262850494054231
Energy: 1.2802882108696223
Energy: 1.262850494054231
Energy: 1.2802882108696223
Energy: 1.262850494054231
Energy: 1.302805513217403
Energy: 1.2671073434634346
Energy: 1.3028055132180092
Energy: 1.2671073434628288
Energy: 1.3028055132180092
Energy: 1.2671073434628288
Energy: 1.2551069235872556
Energy: 1.263888483501066
Energy: 1.2551069235866497
Energy: 1.263888483501066
Energy: 1.2551069235866497
Energy: 1.263888483501066
Energy: 1.2369746203934007
Energy: 1.2555496557966117
Energy: 1.2369746203940066
Energy: 1.2555496557966117
Energy: 1.2369746203940066
Energy: 1.2555496557966117
Energy: 1.240767250807415
Energy: 1.3137080460313524
Energy: 1.240767250806809
Energy: 1.3137080460307464
Energy: 1.240767250808021
Energy: 1.3137080460307464
Energy: 1.273212236763702
Energy: 1.2481295405899993
Energy: 1.273212236763702
Energy: 1.2481295405899993
Energy: 1.2732122367642802
Energy: 1.2481295405893933
Energy: 1.2677084178767337
Energy: 1.2806248469153403
Energy: 1.2677084178773397
Energy: 1.2806248469147343
Energy: 1.2677084178773397
Energy: 1.2806248469159462
Energy: 1.250557942686595
Energy: 1.2027973806763073
Energy: 1.2505579426878066
Energy: 1.2027973806763073
Energy: 1.2505579426878066
Energy: 1.2027973806763073
Energy: 1.2473573403288265
Energy: 1.3143955117393282
Energy: 1.2473573403294327
Energy: 1.3143955117393282
Energy: 1.2473573403294327
Energy: 1.3143955117393282

minimum gb energy = 1.2027973806763073 eV
minimum distance =  2.23918899505041 Angstroms
sigma value = 57


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

Energy: 1.2118863366324757
Energy: 1.2298729292819934
Energy: 1.2118863366324757
Energy: 1.2298729292819934
Energy: 1.2118863366324757
Energy: 1.2298729292819934
Energy: 1.2227442360310703
Energy: 1.2510940345378034
Energy: 1.222744236029992
Energy: 1.2510940345378034
Energy: 1.222744236029992
Energy: 1.2510940345378034
Energy: 1.2821226487557358
Energy: 1.2624920106985342
Energy: 1.2821226487557358
Energy: 1.2624920106985342
Energy: 1.2821226487535793
Energy: 1.2624920106985342
Energy: 1.2241430634431405
Energy: 1.3889794863680547
Energy: 1.2241430634431405
Energy: 1.3889794863680547
Energy: 1.2241430634431405
Energy: 1.5131821097238756
Energy: 1.2820139804084982
Energy: 1.262546749781834
Energy: 1.2820139804074202
Energy: 1.262546749781834
Energy: 1.2820139804084982
Energy: 1.262546749781834
Energy: 1.2233343218214725
Energy: 1.251063118889224
Energy: 1.223334321820394
Energy: 1.3249967455995657
Energy: 1.2233343218214725
Energy: 1.2836552529255
Energy: 1.2118863366335542
Energy: 1.2298729292830717
Energy: 1.2118863366335542
Energy: 1.2298729292830717
Energy: 1.2118863366335542
Energy: 1.2298729292830717
Energy: 1.2227442360278353
Energy: 1.2510940345378034
Energy: 1.2227442360310703
Energy: 1.2510940345378034
Energy: 1.2227442360310703
Energy: 1.2510940345378034
Energy: 1.2821226487611272
Energy: 1.2624920106964266
Energy: 1.2821226487600488
Energy: 1.2624920106964266
Energy: 1.2821226487600488
Energy: 1.2624920106964266
Energy: 1.2241430634420623
Energy: 1.3889794863669767
Energy: 1.2241430634431405
Energy: 1.4271247997018146
Energy: 1.2241430634420623
Energy: 1.401162608158573
Energy: 1.2820139804095765
Energy: 1.2625467497785992
Energy: 1.2820139804095765
Energy: 1.2625467497785992
Energy: 1.2820139804095765
Energy: 1.262546749777521
Energy: 1.223334321819316
Energy: 1.2510631188870673
Energy: 1.2233343218182378
Energy: 1.3914227547268057
Energy: 1.2233343218182378
Energy: 1.2119263262089688
Energy: 1.2118863366324757
Energy: 1.2298729292819934
Energy: 1.2118863366324757
Energy: 1.2298729292819934
Energy: 1.2118863366324757
Energy: 1.2298729292819934
Energy: 1.222744236029992
Energy: 1.2510940345367252
Energy: 1.2227442360310703
Energy: 1.2510940345367252
Energy: 1.2227442360310703
Energy: 1.2510940345378034
Energy: 1.2821226487557358
Energy: 1.2624920106985342
Energy: 1.2821226487557358
Energy: 1.2624920106985342
Energy: 1.2821226487557358
Energy: 1.2624920106985342
Energy: 1.2241430634431405
Energy: 1.3734529133130948
Energy: 1.2241430634431405
Energy: 1.5048924556213994
Energy: 1.2241430634431405
Energy: 1.32661055831823
Energy: 1.2820139804084982
Energy: 1.262546749781834
Energy: 1.2820139804074202
Energy: 1.262546749781834
Energy: 1.2820139804074202
Energy: 1.262546749781834

minimum gb energy = 1.2118863366324757 eV
minimum distance =  2.27299105418677 Angstroms
sigma value = 9


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

Energy: 1.3321799256691813
Energy: 1.2683488320156802
Energy: 1.3321799256691813
Energy: 1.2683488320156802
Energy: 1.3321799256691813
Energy: 1.2683488320156802
Energy: 1.3147726823537764
Energy: 1.269221248876929
Energy: 1.314772682352896
Energy: 1.2692212488760488
Energy: 1.3147726823537764
Energy: 1.269221248876929
Energy: 1.3011260207302247
Energy: 1.2984306314847587
Energy: 1.3011260207302247
Energy: 1.2984306314847587
Energy: 1.3011260207302247
Energy: 1.2984306314847587
Energy: 1.285357072378767
Energy: 1.3809950074510706
Energy: 1.285357072378767
Energy: 1.3809950074510706
Energy: 1.285357072378767
Energy: 1.3809950074519508
Energy: 1.3059647666609693
Energy: 1.3070489959603804
Energy: 1.30596476666185
Energy: 1.3070489959603804
Energy: 1.3059647666609693
Energy: 1.3070489959603804
Energy: 1.322525098168573
Energy: 1.3057892283274757
Energy: 1.3225250981676924
Energy: 1.3057892283265953
Energy: 1.3225250981676924
Energy: 1.3057892283274757
Energy: 1.2861919987854722
Energy: 1.3234486872112692
Energy: 1.2861919987845918
Energy: 1.3234486872112692
Energy: 1.2861919987845918
Energy: 1.3234486872112692
Energy: 1.2883618562676653
Energy: 1.3360727548188571
Energy: 1.2883618562676653
Energy: 1.3360727548188571
Energy: 1.2883618562685455
Energy: 1.3360727548188571
Energy: 1.4031335816780055
Energy: 1.317851491716214
Energy: 1.403133581677125
Energy: 1.3178514917153337
Energy: 1.403133581677125
Energy: 1.3178514917153337
Energy: 1.2828079085268849
Energy: 1.2956027139334063
Energy: 1.282807908527765
Energy: 1.2956027139325257
Energy: 1.2828079085268849
Energy: 1.2956027139334063
Energy: 1.2932571404487427
Energy: 1.3129922199449118
Energy: 1.2932571404496234
Energy: 1.3129922199449118
Energy: 1.2932571404496234
Energy: 1.3129922199440316
Energy: 1.370325464064106
Energy: 1.3029661282672256
Energy: 1.3703254640614648
Energy: 1.3029661282672256
Energy: 1.3703254640632256
Energy: 1.3029661282672256
Energy: 1.286861776236913
Energy: 1.3518943828854624
Energy: 1.2868617762360326
Energy: 1.3518943828854624
Energy: 1.286861776236913
Energy: 1.3518943828854624
Energy: 1.292912165996518
Energy: 1.2992735050857
Energy: 1.292912165996518
Energy: 1.2992735050857
Energy: 1.292912165997398
Energy: 1.2992735050857
Energy: 1.3314235272708783
Energy: 1.302539671177826
Energy: 1.3314235272708783
Energy: 1.302539671177826
Energy: 1.3314235272717587
Energy: 1.302539671177826
Energy: 1.3298531572483763
Energy: 1.3120900207127206
Energy: 1.3298531572483763
Energy: 1.31209002071184
Energy: 1.3298531572483763
Energy: 1.31209002071184
Energy: 1.327696775268575
Energy: 1.3119501340326705
Energy: 1.327696775266814
Energy: 1.3119501340317903
Energy: 1.327696775267695
Energy: 1.3119501340326705
Energy: 1.4361636185624373
Energy: 1.3036635473678149
Energy: 1.4361636185624373
Energy: 1.3036635473678149
Energy: 1.436163618561557
Energy: 1.3036635473678149
Energy: 1.2811476377678486
Energy: 1.3021063196424376
Energy: 1.2811476377678486
Energy: 1.3021063196424376
Energy: 1.2811476377687288
Energy: 1.3021063196424376
Energy: 1.2917005881584063
Energy: 1.269957273320735
Energy: 1.2917005881584063
Energy: 1.2699572733198548
Energy: 1.2917005881584063
Energy: 1.269957273320735
Energy: 1.3753164875798471
Energy: 1.3008733636778937
Energy: 1.3753164875807278
Energy: 1.3008733636778937
Energy: 1.3753164875798471
Energy: 1.3008733636778937

minimum gb energy = 1.2683488320156802 eV
minimum distance =  2.24829473579612 Angstroms
sigma value = 27


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

Energy: 1.379009881568865
Energy: 1.3021709414937688
Energy: 1.3501133561951852
Energy: 1.3021709414937688
Energy: 1.379009881568865
Energy: 1.3021709414982217
Energy: 1.3654642596589013
Energy: 1.247485001637685
Energy: 1.3654642596603856
Energy: 1.247485001637685
Energy: 1.3654642596581594
Energy: 1.247485001637685
Energy: 1.2696395255419821
Energy: 1.2700203759219642
Energy: 1.269639525539756
Energy: 1.2700203759227062
Energy: 1.2696395255419821
Energy: 1.270020375921222
Energy: 1.2486199451902897
Energy: 1.3412301213238527
Energy: 1.2486199451917739
Energy: 1.3412301213231104
Energy: 1.2486199451902897
Energy: 1.3412301213186577
Energy: 1.2478916983035364
Energy: 1.3214850459738303
Energy: 1.2478916983042785
Energy: 1.3214850459738303
Energy: 1.2478916983042785
Energy: 1.321485045972346
Energy: 1.318763620733844
Energy: 1.3257834398294788
Energy: 1.3187636207331017
Energy: 1.3257834398294788
Energy: 1.318763620733844
Energy: 1.3257834398279946
Energy: 1.2249876094441656
Energy: 1.3370238269472112
Energy: 1.2249876094463916
Energy: 1.3370238269479535
Energy: 1.2249876094441656
Energy: 1.337023826945727
Energy: 1.3307988901993808
Energy: 1.2689736041734272
Energy: 1.3307988901971544
Energy: 1.2689736041726851
Energy: 1.3307988901978964
Energy: 1.2689736041726851
Energy: 1.3886811681500886
Energy: 1.2601695185300799
Energy: 1.3884269393281279
Energy: 1.2601695185300799
Energy: 1.3886811681500886
Energy: 1.2601695185271113
Energy: 1.3528226502144798
Energy: 1.3023909130391524
Energy: 1.3528710590267272
Energy: 1.3023909130391524
Energy: 1.3528226502137377
Energy: 1.3023909130406366
Energy: 1.3302078226217755
Energy: 1.2995416586697315
Energy: 1.3302830150240732
Energy: 1.2995416586697315
Energy: 1.3302078226225176
Energy: 1.299541658667505
Energy: 1.3400348885391007
Energy: 1.2265346916932063
Energy: 1.3400348885391007
Energy: 1.2265346916939484
Energy: 1.3400348885391007
Energy: 1.2265346916917221
Energy: 1.3082431681571436
Energy: 1.358896787404018
Energy: 1.30824316815937
Energy: 1.358896787404018
Energy: 1.3082431681578857
Energy: 1.358896787404018
Energy: 1.2551956652549527
Energy: 1.2727565879824414
Energy: 1.255195665258663
Energy: 1.2727565879831837
Energy: 1.2551956652556946
Energy: 1.272756587989829
Energy: 1.3253812954450728
Energy: 1.3558275776432531
Energy: 1.3253654411603957
Energy: 1.3558275776425113
Energy: 1.3253812954443307
Energy: 1.3558275776432531
Energy: 1.2480609782114065
Energy: 1.3221628254970605
Energy: 1.2480609782114065
Energy: 1.3221628254970605
Energy: 1.2480609782114065
Energy: 1.3221628255029976
Energy: 1.226488481443593
Energy: 1.2707912621315303
Energy: 1.2264884814428507
Energy: 1.2707912621315303
Energy: 1.2264884814443349
Energy: 1.2707912621382096
Energy: 1.3436371034549341
Energy: 1.2776804794670362
Energy: 1.343637103455676
Energy: 1.2776804794670362
Energy: 1.3436371034564183
Energy: 1.2776804794685204
Energy: 1.3100948989751988
Energy: 1.2472401664062929
Energy: 1.214284299793118
Energy: 1.2472401664062929
Energy: 1.3100948989744565
Energy: 1.2472401664055508
Energy: 1.379009881570349
Energy: 1.3021709414952531
Energy: 1.3501133561951852
Energy: 1.3021709414952531
Energy: 1.379009881570349
Energy: 1.3021709414982217
Energy: 1.3654642596581594
Energy: 1.2474850016369428
Energy: 1.3654642596618698
Energy: 1.2474850016369428
Energy: 1.3654642596574171
Energy: 1.247485001636201
Energy: 1.2696395255390138
Energy: 1.2700203759189956
Energy: 1.2696395255375295
Energy: 1.2700203759189956
Energy: 1.2696395255390138
Energy: 1.2700203759182533
Energy: 1.2486199451895474
Energy: 1.3412301213216262
Energy: 1.2486199451917739
Energy: 1.3412301213216262
Energy: 1.2486199451895474
Energy: 1.3412301213179156
Energy: 1.2478916983035364
Energy: 1.3214850459753147
Energy: 1.2478916983035364
Energy: 1.3214850459745726
Energy: 1.2478916983035364
Energy: 1.3214850459738303
Energy: 1.318763620733844
Energy: 1.3257834398302208
Energy: 1.3187636207331017
Energy: 1.3257834398302208
Energy: 1.318763620733844
Energy: 1.3257834398302208

minimum gb energy = 1.214284299793118 eV
minimum distance =  2.24695481050188 Angstroms
sigma value = 19


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

Energy: 1.251624761788047
Energy: 1.2789496458134844
Energy: 1.2516247617886875
Energy: 1.2789496458134844
Energy: 1.251624761788047
Energy: 1.2789496458134844
Energy: 1.2685407562840618
Energy: 1.2314318848879793
Energy: 1.2685407562847024
Energy: 1.2314318848879793
Energy: 1.2685407562847024
Energy: 1.2314318848879793
Energy: 1.293904252516219
Energy: 1.188857527315953
Energy: 1.293904252516219
Energy: 1.188857527315953
Energy: 1.3303475658034163
Energy: 1.188857527315953
Energy: 1.2061364563738697
Energy: 1.2670302930271615
Energy: 1.2061364563745103
Energy: 1.2670302930271615
Energy: 1.2061364563745103
Energy: 1.2670302930271615
Energy: 1.2348496184180355
Energy: 1.2570184506809603
Energy: 1.2348496184180355
Energy: 1.2570184506809603
Energy: 1.234849618417395
Energy: 1.2570184506809603
Energy: 1.2704419421877735
Energy: 1.2148503758349913
Energy: 1.270441942186492
Energy: 1.2148503758343507
Energy: 1.270441942187133
Energy: 1.2148503758343507
Energy: 1.1844527596855021
Energy: 1.2838583099287613
Energy: 1.1844527596855021
Energy: 1.2838583099287613
Energy: 1.1844527596855021
Energy: 1.28385830992748
Energy: 1.2260304086969587
Energy: 1.299517424807814
Energy: 1.226030408696318
Energy: 1.2995174248084547
Energy: 1.2260304086969587
Energy: 1.2995174248084547
Energy: 1.3284086830235247
Energy: 1.1862335143905236
Energy: 1.3284086830241653
Energy: 1.1862335143905236
Energy: 1.3284086830241653
Energy: 1.1862335143905236
Energy: 1.247512020617611
Energy: 1.255630006702385
Energy: 1.2475120206169703
Energy: 1.255630006702385
Energy: 1.247512020617611
Energy: 1.255630006702385
Energy: 1.1900000241623514
Energy: 1.288727994266725
Energy: 1.1900000241623514
Energy: 1.288727994266725
Energy: 1.1900000241623514
Energy: 1.288727994266725
Energy: 1.2800974735901882
Energy: 1.1864362557843047
Energy: 1.2800974735901882
Energy: 1.1864362557843047
Energy: 1.2800974735895478
Energy: 1.1864362557843047
Energy: 1.2529898692521435
Energy: 1.2402578737582919
Energy: 1.252989869251503
Energy: 1.2402578737582919
Energy: 1.2529898692521435
Energy: 1.2402578737582919
Energy: 1.209548120095797
Energy: 1.2671615220344188
Energy: 1.2095481200964375
Energy: 1.2671615220350594
Energy: 1.209548120095797
Energy: 1.2671615220344188
Energy: 1.2812070658275152
Energy: 1.1990153544400586
Energy: 1.2812070658275152
Energy: 1.1990153544400586
Energy: 1.2812070658275152
Energy: 1.1990153544400586
Energy: 1.2748061257330479
Energy: 1.180265873395666
Energy: 1.2748061257330479
Energy: 1.180265873395666
Energy: 1.2748061257317667
Energy: 1.180265873395666
Energy: 1.2049817198375459
Energy: 1.2705438518266945
Energy: 1.2049817198369053
Energy: 1.2705438518266945
Energy: 1.2049817198369053
Energy: 1.2705438518266945
Energy: 1.2535368596583276
Energy: 1.2700563536428222
Energy: 1.253536859658968
Energy: 1.2700563536428222
Energy: 1.253536859658968
Energy: 1.2700563536428222
Energy: 1.2571295163012217
Energy: 1.2124211141637369
Energy: 1.2571295163005813
Energy: 1.2124211141637369
Energy: 1.2953270133244945
Energy: 1.2124211141637369
Energy: 1.2215617410176354
Energy: 1.2739687087554865
Energy: 1.221561741018276
Energy: 1.2739687087561269
Energy: 1.221561741018276
Energy: 1.2739687087561269
Energy: 1.1757083410539004
Energy: 1.288279840089854
Energy: 1.1757083410539004
Energy: 1.2882798400892135
Energy: 1.1757083410539004
Energy: 1.2882798400892135
Energy: 1.3324794820993913
Energy: 1.1880611069586513
Energy: 1.3324794820993913
Energy: 1.188061106959292
Energy: 1.3324794820987507
Energy: 1.1880611069586513
Energy: 1.2474491254782707
Energy: 1.240947368082289
Energy: 1.247449125479552
Energy: 1.240947368082289
Energy: 1.24744912547763
Energy: 1.2409473680816483
Energy: 1.2470073472901233
Energy: 1.2835561680140184
Energy: 1.2470073472914045
Energy: 1.2835561680140184
Energy: 1.2470073472901233
Energy: 1.2835561680140184
Energy: 1.2615726960023301
Energy: 1.1890580626610334
Energy: 1.2615726960029707
Energy: 1.1890580626610334
Energy: 1.2615726960016895
Energy: 1.1890580626610334
Energy: 1.2666989378214262
Energy: 1.203352625909758
Energy: 1.2666989378220668
Energy: 1.2033526259091172
Energy: 1.2666989378214262
Energy: 1.2033526259091172
Energy: 1.1771642366943003
Energy: 1.2709761656526695
Energy: 1.1771642366949409
Energy: 1.2709761656526695
Energy: 1.1771642366936597
Energy: 1.2709761656526695
Energy: 1.2869987572506503
Energy: 1.212685809956859
Energy: 1.286998757249369
Energy: 1.212685809956859
Energy: 1.2869987572500097
Energy: 1.212685809956859
Energy: 1.2695171127272022
Energy: 1.210146083233107
Energy: 1.269517112727843
Energy: 1.210146083233107
Energy: 1.2695171127272022
Energy: 1.2101460832337478

minimum gb energy = 1.1757083410539004 eV
minimum distance =  2.23990039608105 Angstroms
sigma value = 101


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

Energy: 1.1751005700823969
Energy: 1.2696509695792113
Energy: 1.1751005700812707
Energy: 1.2696509695792113
Energy: 1.1751005700812707
Energy: 1.2696509695792113
Energy: 1.2163869003579564
Energy: 1.1944659336542387
Energy: 1.2163869003568302
Energy: 1.198311049301501
Energy: 1.2163869003573933
Energy: 1.186783510789839
Energy: 1.235380254629506
Energy: 1.1372463365121657
Energy: 1.2353802546283799
Energy: 1.1372463365121657
Energy: 1.2353802546283799
Energy: 1.1372463365121657
Energy: 1.1168635857450115
Energy: 1.2172071400282463
Energy: 1.1168635857450115
Energy: 1.2172071400288096
Energy: 1.1168635857461378
Energy: 1.2546037112623734
Energy: 1.184383844233283
Energy: 1.1910125752741991
Energy: 1.184383844233283
Energy: 1.191012575273636
Energy: 1.18438384423272
Energy: 1.1910125752747622
Energy: 1.23000870676249
Energy: 1.1362243784119677
Energy: 1.230008706761927
Energy: 1.1362243784119677
Energy: 1.2300087067613639
Energy: 1.1362243784119677
Energy: 1.1679236584075674
Energy: 1.2013234273701074
Energy: 1.1679236584070045
Energy: 1.2013234273701074
Energy: 1.1679236584070045
Energy: 1.2013234273701074
Energy: 1.1235580653732573
Energy: 1.2010953034129472
Energy: 1.1235580653726944
Energy: 1.201095303411821
Energy: 1.1235580653732573
Energy: 1.2406059392881321
Energy: 1.23871178322565
Energy: 1.1404095440777904
Energy: 1.238711783225087
Energy: 1.1404095440777904
Energy: 1.23871178322565
Energy: 1.1404095440783535
Energy: 1.1845115266123827
Energy: 1.2024856678293372
Energy: 1.1845115266129456
Energy: 1.2024856678315896
Energy: 1.1845115266129456
Energy: 1.2024856678293372
Energy: 1.1200849529552053
Energy: 1.3646124551116954
Energy: 1.1200849529552053
Energy: 1.3646124551122585
Energy: 1.1200849529557682
Energy: 1.3646124551128216
Energy: 1.2345703298141046
Energy: 1.1943444861989618
Energy: 1.2345703298135418
Energy: 1.1980285881590529
Energy: 1.2345703298141046
Energy: 1.1602755021920617
Energy: 1.2315591837345363
Energy: 1.136452399755693
Energy: 1.2315591837345363
Energy: 1.136452399755693
Energy: 1.2315591837345363
Energy: 1.136452399756256
Energy: 1.1811575518218431
Energy: 1.2418117966849291
Energy: 1.18115755182128
Energy: 1.2418117966854922
Energy: 1.18115755182128
Energy: 1.2418117966849291
Energy: 1.2474854570097784
Energy: 1.1869646136448384
Energy: 1.2474854570103417
Energy: 1.1869646136448384
Energy: 1.2474854570097784
Energy: 1.1869646136442753
Energy: 1.235205709241838
Energy: 1.1355443883804281
Energy: 1.2352057092407118
Energy: 1.1355443883804281
Energy: 1.235205709241275
Energy: 1.1355443883804281
Energy: 1.1174392805616555
Energy: 1.2501151150082912
Energy: 1.1174392805622186
Energy: 1.2501151150082912
Energy: 1.1174392805622186
Energy: 1.2501151150082912
Energy: 1.1218372627934212
Energy: 1.1899249363592412
Energy: 1.1218372627939845
Energy: 1.1899249363586781
Energy: 1.121837262792295
Energy: 1.1899249363592412
Energy: 1.2304670603901613
Energy: 1.1401734868790792
Energy: 1.230467060389598
Energy: 1.1401734868790792
Energy: 1.2304670603890349
Energy: 1.1401734868790792
Energy: 1.1438463422078664
Energy: 1.231043596040469
Energy: 1.1438463422067404
Energy: 1.231043596040469
Energy: 1.1438463422078664
Energy: 1.231043596040469
Energy: 1.1203948644606667
Energy: 1.3611309105191214
Energy: 1.1203948644601038
Energy: 1.3611309105191214
Energy: 1.12039486446123
Energy: 1.3611309105196845
Energy: 1.2639921210631349
Energy: 1.131181736610964
Energy: 1.2639921210670768
Energy: 1.131181736610964
Energy: 1.2639921210648242
Energy: 1.131181736610964
Energy: 1.262601794843204
Energy: 1.130496153939337
Energy: 1.2626017948420778
Energy: 1.1304961539399
Energy: 1.2626017948420778
Energy: 1.1304961539399
Energy: 1.1166717181440273
Energy: 1.2743916956893389
Energy: 1.116671718142901
Energy: 1.2743916956887757
Energy: 1.116671718142901
Energy: 1.274391695689902
Energy: 1.2676278454803802
Energy: 1.1725944401208013
Energy: 1.2676278454803802
Energy: 1.1725944401208013
Energy: 1.2676278454809435
Energy: 1.1725944401202384
Energy: 1.2353173435931706
Energy: 1.1353991747247003
Energy: 1.2353173435931706
Energy: 1.1353991747247003
Energy: 1.2353173435937337
Energy: 1.1353991747241374
Energy: 1.1753356575508846
Energy: 1.242739347576942
Energy: 1.175335657551448
Energy: 1.242739347576942
Energy: 1.175335657551448
Energy: 1.2427393475775048
Energy: 1.1752899391857223
Energy: 1.240182762946535
Energy: 1.1752899391857223
Energy: 1.240182762946535
Energy: 1.1752899391857223
Energy: 1.240182762947098
Energy: 1.2670056710434643
Energy: 1.152352662987916
Energy: 1.2670056710434643
Energy: 1.152352662987916
Energy: 1.2670056710434643
Energy: 1.152352662988479
Energy: 1.1209488620436667
Energy: 1.2468174079934229
Energy: 1.1209488620436667
Energy: 1.246817407993986
Energy: 1.1209488620436667
Energy: 1.2468174079934229
Energy: 1.1173925540452303
Energy: 1.229431168314748
Energy: 1.1173925540446672
Energy: 1.2294311683153114
Energy: 1.1173925540457934
Energy: 1.2294311683153114
Energy: 1.2634415570963398
Energy: 1.131118112117168
Energy: 1.2634415570952136
Energy: 1.131118112116605
Energy: 1.2634415570957767
Energy: 1.131118112117168
Energy: 1.2685624726292593
Energy: 1.13018062952226
Energy: 1.2685624726286961
Energy: 1.13018062952226
Energy: 1.2685624726286961
Energy: 1.13018062952226

minimum gb energy = 1.116671718142901 eV
minimum distance =  2.26378722275188 Angstroms
sigma value = 33


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

Energy: 0.02072847602137391
Energy: 0.9196724167402005
Energy: 0.02072847602137391
Energy: 0.919672416741604
Energy: 0.02072847602137391
Energy: 0.9196724167406684
Energy: 0.022321057654369317
Energy: 0.427913318980117
Energy: 0.022321057654369317
Energy: 0.42791331897964907
Energy: 0.022321057653953435
Energy: 0.42791331897964907
Energy: 1.3167537455470484
Energy: 0.42861777769635145
Energy: 1.3167537455470484
Energy: 0.4286177776954157
Energy: 1.3167537455470484
Energy: 0.42861777769588355
Energy: 0.022321057654369317
Energy: 0.4279133189805848
Energy: 0.022321057653953435
Energy: 0.427913318980117
Energy: 0.022321057654369317
Energy: 0.427913318980117

minimum gb energy = 0.02072847602137391 eV
minimum distance =  2.48112895588654 Angstroms
sigma value = 1