Model name: model_name=MEAM_LAMMPS_Wagner_2007_Ni__MO_444394830472_001
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=3.520000003278256
cohesive_energy=4.450350014636681
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: 0.0 eV

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

Energy: 0.018158209207484108
Energy: 0.8509225740956596
Energy: 0.018158209207484108
Energy: 0.8509225740956596
Energy: 0.018158209207484108
Energy: 0.8509225740956596
Energy: 0.8509225740956596
Energy: 1.2514401486443096
Energy: 0.8509225740953289
Energy: 1.25144013638622
Energy: 0.8509225740956596
Energy: 1.2514401589847748
Energy: 0.018158209207484108
Energy: 0.8509225740953289
Energy: 0.018158209207484108
Energy: 0.8509225740953289
Energy: 0.018158209207484108
Energy: 0.8509225740956596
Energy: 0.8509225740956596
Energy: 1.2514401422387273
Energy: 0.8509225740953289
Energy: 1.251440140647273
Energy: 0.8509225740956596
Energy: 1.2514401387331766
Energy: 0.018158209207778123
Energy: 0.8509225740956596
Energy: 0.018158209207484108
Energy: 0.8509225740956596
Energy: 0.018158209207484108
Energy: 0.8509225740953289
Energy: 0.8509225740956596
Energy: 1.2514401389329581
Energy: 0.8509225740956596
Energy: 1.2514401420783803
Energy: 0.8509225740956596
Energy: 1.2514401384312257

minimum gb energy = 0.018158209207484108 eV
minimum distance =  2.33314451512248 Angstroms
sigma value = 1


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

Energy: 2.4181322755637624
Energy: 1.8388411102873476
Energy: 2.4181322755589854
Energy: 1.8388411102881441
Energy: 2.4181322755717245
Energy: 1.8388411102873476
Energy: 2.3020854634793713
Energy: 2.099617700090914
Energy: 2.302085463474594
Energy: 2.099617700092506
Energy: 2.302085463485741
Energy: 2.0996177001339076
Energy: 2.3975203048824483
Energy: 1.9676190342569086
Energy: 2.3975203048824483
Energy: 1.9676190342577045
Energy: 2.397520304881652
Energy: 1.9676190342577045
Energy: 2.32412156279801
Energy: 2.1596561904003884
Energy: 2.32412156279801
Energy: 2.1596561904003884
Energy: 2.3241215627988057
Energy: 2.159656190401184
Energy: 2.191693795184747
Energy: 2.2649514103160664
Energy: 2.191693795185543
Energy: 2.264951410311289
Energy: 2.191693795184747
Energy: 2.264951410307308
Energy: 2.1314354160395683
Energy: 2.1263745792070474
Energy: 2.1314354164128373
Energy: 2.1263745792062516
Energy: 2.1314354160363833
Energy: 2.1263745792054554
Energy: 2.2332993419995604
Energy: 2.195414191466326
Energy: 2.2332993419995604
Energy: 2.195414191466326
Energy: 2.2332993419995604
Energy: 2.195414191466326
Energy: 2.1187021255070775
Energy: 2.101177351489903
Energy: 2.1187021255102625
Energy: 2.1011773514715903
Energy: 2.11870212550867
Energy: 2.1011773514715903
Energy: 2.1346967426935923
Energy: 2.212338665891293
Energy: 2.1346967426935923
Energy: 2.2123386658920894
Energy: 2.1346967426935923
Energy: 2.2123386658928856
Energy: 1.9702354481664035
Energy: 2.199336811811678
Energy: 1.9702354481568494
Energy: 2.199336811811678
Energy: 1.9702354481703845
Energy: 2.199336811811678
Energy: 2.0804792846246425
Energy: 2.170087226419457
Energy: 2.080479284655694
Energy: 2.1700872264186604
Energy: 2.0804792846087192
Energy: 2.17008722642503
Energy: 2.132311253252291
Energy: 2.0826665874852712
Energy: 2.1323112532538837
Energy: 2.0826665874852712
Energy: 2.1323112532578645
Energy: 2.0826665874852712
Energy: 2.297280082945588
Energy: 1.9881638085055702
Energy: 2.297280082946384
Energy: 1.9881638085055702
Energy: 2.297280082946384
Energy: 1.9881638085055702
Energy: 2.3932931837475073
Energy: 1.9932301248570043
Energy: 2.3932931837475073
Energy: 1.9932301248570043
Energy: 2.393293183746711
Energy: 1.9932301248570043
Energy: 2.1529193062431227
Energy: 1.985434508760017
Energy: 2.1529193062423264
Energy: 1.985434508760017
Energy: 2.1529193062431227
Energy: 1.985434508760017
Energy: 2.4266430049347334
Energy: 1.773944825884258
Energy: 2.4266430049347334
Energy: 1.773944825884258
Energy: 2.4266430049347334
Energy: 1.773944825884258
Energy: 2.0877332942017808
Energy: 2.0519799989007534
Energy: 2.0877332942017808
Energy: 2.0519799989007534
Energy: 2.0877332942025775
Energy: 2.0519799989007534
Energy: 2.271328307467091
Energy: 2.3554181217917383
Energy: 2.271328307467091
Energy: 2.3554181217925345
Energy: 2.271328307467091
Energy: 2.3554181217925345
Energy: 2.1170429325199183
Energy: 2.088680175968197
Energy: 2.1170429325215103
Energy: 2.0886801759689937
Energy: 2.1170429325215103
Energy: 2.0886801759674007
Energy: 2.328416740759007
Energy: 2.0349725075085443
Energy: 2.328416740759803
Energy: 2.0349725075085443
Energy: 2.328416740759007
Energy: 2.034972507509341
Energy: 2.1050699722870028
Energy: 2.1632526538619157
Energy: 2.1050699722933723
Energy: 2.1632526538619157
Energy: 2.105069972286207
Energy: 2.1632526538619157
Energy: 1.9954605167873123
Energy: 2.4225837848135914
Energy: 1.9954605167849235
Energy: 2.4225837848127956
Energy: 1.9954605167881085
Energy: 2.4225837848135914
Energy: 2.143304450445867
Energy: 2.1776011205203245
Energy: 2.143304450180084
Energy: 2.1776011205203245
Energy: 2.1433044503806515
Energy: 2.1776011205203245

minimum gb energy = 1.773944825884258 eV
minimum distance =  2.30819661492768 Angstroms
sigma value = 33


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

Energy: 2.4913341625978314
Energy: 2.09793186581503
Energy: 2.4913341625982843
Energy: 2.097931865816389
Energy: 2.4913341625978314
Energy: 2.097931865816389
Energy: 1.9019238886430359
Energy: 1.9944488344084395
Energy: 1.9019238886430359
Energy: 1.9944488344084395
Energy: 1.9019238886425827
Energy: 1.9944488344084395
Energy: 2.3621932411795474
Energy: 2.090124654444513
Energy: 2.362193241180906
Energy: 2.090124654444513
Energy: 2.3621932411795474
Energy: 2.090124654444513
Energy: 2.1962954349825887
Energy: 2.2778826668061507
Energy: 2.196295432237125
Energy: 2.277882666805698
Energy: 2.196295430294271
Energy: 2.277882666805698
Energy: 2.4908748072864584
Energy: 2.515938765633668
Energy: 2.490874807263362
Energy: 2.5159387656427254
Energy: 2.4908748072878173
Energy: 2.5159387656599344
Energy: 2.3459979532047237
Energy: 2.1984847709976947
Energy: 2.3459979532038178
Energy: 2.1984847709976947
Energy: 2.3459979532047237
Energy: 2.1984847709976947
Energy: 1.9867484367765107
Energy: 2.0562717587521733
Energy: 1.9867484367765107
Energy: 2.0562717587517203
Energy: 1.9867484367765107
Energy: 2.0562717587521733
Energy: 2.0233852195354505
Energy: 2.134041423281516
Energy: 2.0233852195354505
Energy: 2.134041423281063
Energy: 2.0233852195345445
Energy: 2.134041423281516
Energy: 2.2220925863305996
Energy: 2.029385700554924
Energy: 2.222092586337352
Energy: 2.029385700553565
Energy: 2.222092586328335
Energy: 2.02938570055266
Energy: 1.803537195882115
Energy: 2.2797356047628954
Energy: 1.8035371959567974
Energy: 2.2797356047633484
Energy: 1.8035371956680308
Energy: 2.2797356047633484
Energy: 2.5202026002810523
Energy: 2.017387751334297
Energy: 2.5202026002805997
Energy: 2.0173877513356557
Energy: 2.5202026002810523
Energy: 2.0173877513225222
Energy: 2.0574870126996716
Energy: 2.280346858059417
Energy: 2.0574870126987657
Energy: 2.280346858058511
Energy: 2.057487012698313
Energy: 2.280346858058511
Energy: 2.1249015910882965
Energy: 2.0052195608063768
Energy: 2.1249015910910134
Energy: 2.0052195608059242
Energy: 2.1249015910914664
Energy: 2.0052195608068297
Energy: 2.173398035915073
Energy: 2.115374139971164
Energy: 2.17339803591779
Energy: 2.115374139971164
Energy: 2.173398035915073
Energy: 2.115374139971164
Energy: 2.013826186922151
Energy: 2.124810206973361
Energy: 2.013826186922604
Energy: 2.1248102069729087
Energy: 2.013826186922151
Energy: 2.124810206973361
Energy: 1.943384240858348
Energy: 2.496666871294318
Energy: 1.9433842408588007
Energy: 2.496666871294318
Energy: 1.943384240858348
Energy: 2.496666871293865
Energy: 2.289528760831499
Energy: 2.198526997223686
Energy: 2.289528760832405
Energy: 2.198526997224139
Energy: 2.2895287608319523
Energy: 2.198526997223686
Energy: 2.489904039532881
Energy: 2.102371544792886
Energy: 2.489904039532881
Energy: 2.1023715447933387
Energy: 2.489904039533334
Energy: 2.102371544793792
Energy: 2.1491375790364544
Energy: 1.9279094825802119
Energy: 2.14913757903419
Energy: 1.9279160053086488
Energy: 2.149137579033737
Energy: 1.9279127211197098
Energy: 2.11124543184944
Energy: 2.5149482601211934
Energy: 2.1112454318485345
Energy: 2.5149482601216464
Energy: 2.1112454318485345
Energy: 2.5149482601216464
Energy: 2.0972161344195155
Energy: 1.897548986758346
Energy: 2.09721613441861
Energy: 1.8975489867633275
Energy: 2.0972161344195155
Energy: 1.8975489867601572
Energy: 2.125861028040476
Energy: 1.9572838350725215
Energy: 2.1258610277272143
Energy: 1.957283835087919
Energy: 2.1258610280241728
Energy: 1.9572838350788615
Energy: 1.9733117188229496
Energy: 2.169227178335364
Energy: 1.9733117188297427
Energy: 2.169227178338081
Energy: 1.9733117188279314
Energy: 2.169227178338081
Energy: 2.4541409284811166
Energy: 2.024730463660611
Energy: 2.454140928480664
Energy: 2.024730463661517
Energy: 2.454140928480664
Energy: 2.024730463661517
Energy: 2.442846920249719
Energy: 2.140113307869065
Energy: 2.442846920245643
Energy: 2.1401133078708763
Energy: 2.4428469202474545
Energy: 2.1401133078821983
Energy: 2.151703651547412
Energy: 2.637502220458396
Energy: 2.1517036515478654
Energy: 2.637502220470623
Energy: 2.151703651547412
Energy: 2.63750222046383
Energy: 2.1396606476860383
Energy: 2.633984434106753
Energy: 2.1396606476878497
Energy: 2.633984434106753
Energy: 2.1396606476855853
Energy: 2.6339844341063006
Energy: 2.4523077729036658
Energy: 2.1802489193593124
Energy: 2.4523077729023073
Energy: 2.1802489193593124
Energy: 2.4523077729027603
Energy: 2.1802489193597654
Energy: 2.2993581871930147
Energy: 2.026696892324317
Energy: 2.2993581871694655
Energy: 2.02669689232477
Energy: 2.2993581871907502
Energy: 2.026696892326129
Energy: 2.0194160903383565
Energy: 2.195033395130058
Energy: 2.0194160903365446
Energy: 2.195033395130964
Energy: 2.019416090335186
Energy: 2.195033395130964
Energy: 2.1569571551694047
Energy: 1.9830493535354115
Energy: 2.156957155145444
Energy: 1.9830493535358646
Energy: 2.156957155172122
Energy: 1.9830493535349587
Energy: 2.1131933224970325
Energy: 1.9189512007640883
Energy: 2.113193322498391
Energy: 1.9189512007636353
Energy: 2.1131933224979385
Energy: 1.9189512007636353
Energy: 2.1124844983621363
Energy: 2.514095286342497
Energy: 2.1124844983625892
Energy: 2.514095286342497
Energy: 2.1124844983625892
Energy: 2.514095286342497
Energy: 2.1641122980203997
Energy: 1.9760574960039856
Energy: 2.164112298019947
Energy: 1.9760574960035329
Energy: 2.164112298019947
Energy: 1.9760574960030801
Energy: 2.4778146080148917
Energy: 2.1042641137307707
Energy: 2.4778146082032033
Energy: 2.1042641137307707
Energy: 2.4778146073132725
Energy: 2.1042641137307707
Energy: 2.2987605366880994
Energy: 2.190986935252716
Energy: 2.298760536688552
Energy: 2.190986935252263
Energy: 2.298760536691269
Energy: 2.190986935252263
Energy: 1.7937197564129437
Energy: 2.512905085638042
Energy: 1.7937197564129437
Energy: 2.512905085638042
Energy: 1.793719756412491
Energy: 2.512905085638042
Energy: 2.026812167209208
Energy: 2.1250002798723657
Energy: 2.026812167209208
Energy: 2.1250002798714602
Energy: 2.026812167208755
Energy: 2.1250002798714602
Energy: 2.1777740565607058
Energy: 2.1111626637105476
Energy: 2.1777740565598007
Energy: 2.111162663710094
Energy: 2.1777740565607058
Energy: 2.111162663710094
Energy: 2.115871031472731
Energy: 1.9807738112520894
Energy: 2.115871031450993
Energy: 1.980773811267899
Energy: 2.115871031476354
Energy: 1.980773811273333
Energy: 2.0472766253788657
Energy: 2.2358217029346603
Energy: 2.0472766253779597
Energy: 2.2358217029310374
Energy: 2.0472766253784123
Energy: 2.235821702932396

minimum gb energy = 1.793719756412491 eV
minimum distance =  2.2853485271597 Angstroms
sigma value = 51


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

Energy: 2.6183510270149757
Energy: 2.013589156726952
Energy: 2.6183510270149757
Energy: 2.013589156726952
Energy: 2.6183510270149757
Energy: 2.0135891567280013
Energy: 2.416206990116464
Energy: 2.137555771821424
Energy: 2.416206990116464
Energy: 2.1375557718193257
Energy: 2.416206990116464
Energy: 2.137555771818276
Energy: 2.3049142375339273
Energy: 2.419485299026193
Energy: 2.30491423780455
Energy: 2.419485299026193
Energy: 2.3049142374962006
Energy: 2.4194852990251436
Energy: 2.1549850665544317
Energy: 2.0965019466587624
Energy: 2.1549850665544317
Energy: 2.0965019466598123
Energy: 2.1549850665533823
Energy: 2.096501946656664
Energy: 2.515337191784039
Energy: 2.2267258728620836
Energy: 2.5153371918113208
Energy: 2.2267258728620836
Energy: 2.515337191786138
Energy: 2.2267258728620836
Energy: 2.2512473829225934
Energy: 2.447603882845997
Energy: 2.2512473829225934
Energy: 2.447603882845997
Energy: 2.2512473829225934
Energy: 2.447603882847047
Energy: 2.098970665425215
Energy: 2.370584615383737
Energy: 2.0989706654273133
Energy: 2.370584615382688
Energy: 2.0989706654273133
Energy: 2.370584615382688
Energy: 2.0771577149883313
Energy: 2.5466135072626717
Energy: 2.0771577149883313
Energy: 2.5466135072626717
Energy: 2.0771577149883313
Energy: 2.5466135072626717
Energy: 2.1485854300020115
Energy: 2.235326624978425
Energy: 2.148585429997814
Energy: 2.235326624978425
Energy: 2.148585430000962
Energy: 2.2353266249773758
Energy: 2.423011025099583
Energy: 2.307009832022539
Energy: 2.423011025099583
Energy: 2.307009832022539
Energy: 2.423011025099583
Energy: 2.307009832022539
Energy: 2.2416301825284632
Energy: 2.232636128437486
Energy: 2.241630182527414
Energy: 2.232636128437486
Energy: 2.241630182527414
Energy: 2.232636128437486
Energy: 2.5329629866539745
Energy: 2.1388096585168346
Energy: 2.5329629866539745
Energy: 2.1388096585168346
Energy: 2.5329629866539745
Energy: 2.1388096585168346
Energy: 2.2398642954320827
Energy: 2.244112847864511
Energy: 2.2398642954320827
Energy: 2.2441128478635095
Energy: 2.2398642954320827
Energy: 2.2441128478635095
Energy: 2.3077548807415567
Energy: 2.5944911994874276
Energy: 2.30775488073631
Energy: 2.5944911994874276
Energy: 2.307754880739458
Energy: 2.5944911994874276
Energy: 2.039627720222599
Energy: 2.2866319937404045
Energy: 2.039627720222599
Energy: 2.286631993739355
Energy: 2.039627720222599
Energy: 2.2866319937404045
Energy: 2.3132353686289595
Energy: 2.3016856777676904
Energy: 2.3132353686572906
Energy: 2.30168567776874
Energy: 2.3132353686572906
Energy: 2.30168567776874
Energy: 2.3318002329943868
Energy: 2.1541709143851033
Energy: 2.3318002329943868
Energy: 2.1541709143851033
Energy: 2.3318002329943868
Energy: 2.1541709143851033
Energy: 2.0228578548031466
Energy: 2.3034067351360936
Energy: 2.0228578548041956
Energy: 2.3034067351350442
Energy: 2.0228578548041956
Energy: 2.303406735137143

minimum gb energy = 2.013589156726952 eV
minimum distance =  2.32986827884382 Angstroms
sigma value = 19


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

Energy: 2.2256884180668726
Energy: 1.813496108777705
Energy: 2.2256884180668726
Energy: 1.8134961077667406
Energy: 2.2256884180668726
Energy: 1.8134961084423673
Energy: 2.066283439998951
Energy: 1.9748965102229405
Energy: 2.066283439996461
Energy: 1.9748965102229405
Energy: 2.066283439995839
Energy: 1.9748965102235632
Energy: 1.8156184089781022
Energy: 2.4313186566859293
Energy: 1.8156184089774798
Energy: 2.4313186566560816
Energy: 1.8156184089749903
Energy: 2.43131865666604
Energy: 2.3216302341439987
Energy: 1.6005070218108612
Energy: 2.321630234142754
Energy: 1.6005070218120776
Energy: 2.3216302341439987
Energy: 1.6005070218114552
Energy: 2.2991177004312062
Energy: 2.659800856381316
Energy: 2.299117700424388
Energy: 2.6598008563838054
Energy: 2.2991177004554797
Energy: 2.659800856400582
Energy: 2.6429481164610196
Energy: 2.6988213795048135
Energy: 2.642948116462887
Energy: 2.698821378995286
Energy: 2.642948116462265
Energy: 2.698821380271907
Energy: 2.3023001309972866
Energy: 1.6031503602154809
Energy: 2.3023001309811044
Energy: 1.6031503602173482
Energy: 2.3023001310047553
Energy: 1.6031503602229498
Energy: 1.8144816141170566
Energy: 2.440119272772595
Energy: 1.8144816141176792
Energy: 2.44011927277384
Energy: 1.8144816141164344
Energy: 2.4401192727707564
Energy: 2.078642429880916
Energy: 1.9681880192643904
Energy: 2.078642429880294
Energy: 1.9681880192625227
Energy: 2.078642429880294
Energy: 1.9681880192606556
Energy: 2.2256884180668726
Energy: 1.8134961050393092
Energy: 2.2256884180662504
Energy: 1.813496103995979
Energy: 2.2256884180668726
Energy: 1.8134961052377732
Energy: 2.066283439998951
Energy: 1.9748965102241853
Energy: 2.066283439994594
Energy: 1.9748965102235632
Energy: 2.0662834399995735
Energy: 1.9748965102235632
Energy: 1.8156184089681435
Energy: 2.4313186562747138
Energy: 1.8156184089681435
Energy: 2.4313186563201215
Energy: 1.8156184089668985
Energy: 2.4313186562641325
Energy: 2.321630234095479
Energy: 1.6005070218176793
Energy: 2.321630234095479
Energy: 1.6005070218170572
Energy: 2.3216302340929897
Energy: 1.6005070218176793
Energy: 2.2991177002962275
Energy: 2.659800856418632
Energy: 2.2991177003161165
Energy: 2.6598008564074287
Energy: 2.299117700316739
Energy: 2.6598008564111635
Energy: 2.6429481164659987
Energy: 2.698821367227624
Energy: 2.6429481164659987
Energy: 2.698821366448083
Energy: 2.6429481164659987
Energy: 2.698821365222472
Energy: 2.302300130307967
Energy: 1.6031503602086343
Energy: 2.302300130294274
Energy: 1.603150360208012
Energy: 2.302300130311079
Energy: 1.6031503602092567
Energy: 1.8144816141126996
Energy: 2.4401192727651546
Energy: 1.8144816141164344
Energy: 2.440119272762665
Energy: 1.8144816141133222
Energy: 2.44011927276391
Energy: 2.078642429880916
Energy: 1.968188019261278
Energy: 2.078642429880916
Energy: 1.968188019258166
Energy: 2.0786424298815387
Energy: 1.968188019258166
Energy: 2.2256884180662504
Energy: 1.81349610205867
Energy: 2.2256884180668726
Energy: 1.8134961030808094
Energy: 2.2256884180668726
Energy: 1.8134961017059041
Energy: 2.066283439997706
Energy: 1.9748965102241853
Energy: 2.066283439994594
Energy: 1.9748965102248077
Energy: 2.066283439995839
Energy: 1.9748965102241853
Energy: 1.8156184089774798
Energy: 2.431318656340661
Energy: 1.8156184089805918
Energy: 2.4313186563499967
Energy: 1.8156184089774798
Energy: 2.431318656353109
Energy: 2.3216302341439987
Energy: 1.6005070218127002
Energy: 2.321630234145244
Energy: 1.6005070218133226
Energy: 2.321630234147733
Energy: 1.6005070218120776
Energy: 2.299117700316739
Energy: 2.6598008563987148
Energy: 2.299117700283157
Energy: 2.659800856409296
Energy: 2.2991177002788006
Energy: 2.659800856383183
Energy: 2.6429481164641317
Energy: 2.6988213578402296
Energy: 2.642948116462887
Energy: 2.698821357164603
Energy: 2.642948116462887
Energy: 2.698821356778878
Energy: 2.302300131406635
Energy: 1.603150360193074
Energy: 2.302300131386746
Energy: 1.603150360188095
Energy: 2.3023001314246847
Energy: 1.6031503601905845
Energy: 1.8144816141151896
Energy: 2.440119272763287
Energy: 1.8144816141145672
Energy: 2.4401192727583076
Energy: 1.8144816141151896
Energy: 2.440119272763287
Energy: 2.078642429880916
Energy: 1.9681880192587884
Energy: 2.078642429880916
Energy: 1.968188019256921
Energy: 2.078642429880916
Energy: 1.9681880192587884
Energy: 2.2256884180668726
Energy: 1.8134960985429835
Energy: 2.2256884180668726
Energy: 1.8134960995607945
Energy: 2.2256884180668726
Energy: 1.8134960975880077
Energy: 2.066283439992727
Energy: 1.9748965102241853
Energy: 2.0662834399983288
Energy: 1.9748965102241853
Energy: 2.066283439994594
Energy: 1.9748965102241853
Energy: 1.8156184089725005
Energy: 2.4313186560320865
Energy: 1.8156184089725005
Energy: 2.4313186561060967
Energy: 1.8156184089712555
Energy: 2.43131865607127

minimum gb energy = 1.6005070218108612 eV
minimum distance =  2.35501428354483 Angstroms
sigma value = 27


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

Energy: 2.2661218579186153
Energy: 2.1341761725109123
Energy: 2.2661218579186153
Energy: 2.1341761725109123
Energy: 2.2661218579186153
Energy: 2.1341761725109123
Energy: 2.445777923333397
Energy: 1.8847122524919673
Energy: 2.445777923333397
Energy: 1.8847122524919673
Energy: 2.445777923333397
Energy: 1.8847122524919673
Energy: 1.9097223636801932
Energy: 2.4018568270671783
Energy: 1.7604674062014634
Energy: 2.401856827178438
Energy: 1.909722363683242
Energy: 2.401856827051932
Energy: 2.1266939794224498
Energy: 1.8969752699221842
Energy: 2.126693979420925
Energy: 1.8969752699252334
Energy: 2.126693979420925
Energy: 1.8969752699206597
Energy: 2.503100104523068
Energy: 2.420454733251927
Energy: 2.503100104526117
Energy: 2.420454733256501
Energy: 2.5031001045200187
Energy: 2.420454733250403
Energy: 2.6242266641958736
Energy: 3.1999666276514875
Energy: 2.6242266641958736
Energy: 3.1999666276926515
Energy: 2.6242266641943486
Energy: 3.199966627762748
Energy: 2.2188907650164578
Energy: 1.5468805927513827
Energy: 2.2188907650164578
Energy: 1.5468805927513827
Energy: 2.2188907650164578
Energy: 1.5468805927513827
Energy: 2.198239923823798
Energy: 1.851217833830831
Energy: 2.198239923823798
Energy: 1.851217833830831
Energy: 2.198239923823798
Energy: 1.851217833830831
Energy: 2.6759262715427585
Energy: 1.8858582058195095
Energy: 2.6759262715427585
Energy: 1.8858582058835076
Energy: 2.6759262715427585
Energy: 1.885858205846952
Energy: 2.2763715568927485
Energy: 2.1695928911665243
Energy: 2.2763715568927485
Energy: 2.169592891168049
Energy: 2.2763715568927485
Energy: 2.169592891163475
Energy: 2.0991352578579083
Energy: 1.341380807923272
Energy: 2.152187967786623
Energy: 1.341380807923272
Energy: 2.152187967786623
Energy: 1.341380807923272
Energy: 2.50565654276614
Energy: 2.461812791202397
Energy: 2.5056565427676647
Energy: 2.461812791202397
Energy: 2.5056565427676647
Energy: 2.461812791202397

minimum gb energy = 1.341380807923272 eV
minimum distance =  2.33091476620205 Angstroms
sigma value = 9


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

Energy: 1.2550587552333587
Energy: 1.8714699361357792
Energy: 1.255058755235929
Energy: 1.8714699361533422
Energy: 1.2550587552325019
Energy: 1.8714699361306386
Energy: 2.5273633561109397
Energy: 1.9331052156157986
Energy: 2.527363356110511
Energy: 1.7486004108414115
Energy: 2.527363356110511
Energy: 1.7486004108409836
Energy: 1.9791892574442824
Energy: 2.793871210730155
Energy: 1.9791892574982182
Energy: 2.793871210730155
Energy: 1.9791892574549914
Energy: 2.7938712107305834
Energy: 1.750622965703304
Energy: 1.8113454434255907
Energy: 1.750622965703304
Energy: 1.811345443426019
Energy: 1.7506229657041605
Energy: 1.8113454434255907
Energy: 1.6184265175778976
Energy: 2.09124681567059
Energy: 1.6184265175774692
Energy: 2.091246815670161
Energy: 1.6184265175778976
Energy: 2.09124681567059
Energy: 2.960748793866759
Energy: 2.549285372233823
Energy: 2.960748793866759
Energy: 2.546140784878887
Energy: 2.960748793866759
Energy: 2.54614078488874
Energy: 2.4002773100854027
Energy: 2.114164868514314
Energy: 2.4002773100849746
Energy: 2.114164868515599
Energy: 2.4002773100854027
Energy: 2.114164868514742
Energy: 1.3970255839692087
Energy: 1.862331551360518
Energy: 1.3970255839679238
Energy: 1.862331551360518
Energy: 1.3970255839692087
Energy: 1.862331551361375
Energy: 2.628348175818172
Energy: 2.269397077700534
Energy: 2.628348175817315
Energy: 2.2693970777112433
Energy: 2.628348175817744
Energy: 2.2693970776902535
Energy: 2.144701994734019
Energy: 2.7460220547651413
Energy: 2.1447019947147425
Energy: 2.6994366276081427
Energy: 2.144701994730592
Energy: 2.746022054763856
Energy: 2.000184297859382
Energy: 1.079667492097612
Energy: 2.000184297859382
Energy: 1.0796674927968324
Energy: 2.000184297859382
Energy: 1.0796674928156418
Energy: 1.570324574254201
Energy: 1.889319190261215
Energy: 1.5703245742516307
Energy: 1.8893191902676407
Energy: 1.5703245742430634
Energy: 1.889319190264642
Energy: 2.663305450927082
Energy: 2.302864282930712
Energy: 2.663305450927082
Energy: 2.302864282941421
Energy: 2.663305450927082
Energy: 2.302864282918328
Energy: 2.2130946152108435
Energy: 2.253247834684346
Energy: 2.2130946152099873
Energy: 2.2532478346852027
Energy: 2.2130946152117006
Energy: 2.253247834684774
Energy: 1.7339615084652822
Energy: 1.817693262629389
Energy: 1.7339615084652822
Energy: 1.8176932626302458
Energy: 1.7339615084657105
Energy: 1.817693262629389
Energy: 2.3808319781805487
Energy: 2.4140906443251575
Energy: 2.380831978182262
Energy: 2.4140906443251575
Energy: 2.380831978181834
Energy: 2.414090644324729
Energy: 2.2696765804432855
Energy: 2.6502562381375845
Energy: 2.2696765804390022
Energy: 2.650256238148722
Energy: 2.2696765804415717
Energy: 2.650256238148722
Energy: 1.9631200112578797
Energy: 1.4402875897588603
Energy: 1.9631200112574512
Energy: 1.440287589760574
Energy: 1.9631200112570226
Energy: 1.4402875897622873
Energy: 1.7138296979322065
Energy: 2.211941923778458
Energy: 1.7138296979339198
Energy: 2.211941923778458
Energy: 1.7138296979322065
Energy: 2.211941923778458
Energy: 2.623043133853118
Energy: 2.0874894704995306
Energy: 2.623043133853118
Energy: 2.0874894705003872
Energy: 2.623043133853546
Energy: 2.113201093323186
Energy: 1.7135257693107002
Energy: 2.2137175549467023
Energy: 1.7135257693158408
Energy: 2.2137175549462738
Energy: 1.7135257693192678
Energy: 2.2137175549458457
Energy: 1.953522135975066
Energy: 1.6628177079916544
Energy: 1.953522136005052
Energy: 1.662817707990369
Energy: 1.9535221359780646
Energy: 1.6628177079907973
Energy: 2.2585071422495666
Energy: 2.664529329544451
Energy: 2.258507142249138
Energy: 2.6645293295448798
Energy: 2.258507142249138
Energy: 2.6645293295448798
Energy: 2.4192374248374846
Energy: 2.2904162629781246
Energy: 2.419237424837056
Energy: 2.290416262984511
Energy: 2.419237424837056
Energy: 2.290416262983265
Energy: 1.754147445048483
Energy: 1.8217031422271912
Energy: 1.7541474450489114
Energy: 1.8217031422280479
Energy: 1.7541474450489114
Energy: 1.8217031422271912
Energy: 2.2001011447302687
Energy: 2.0510098592650157
Energy: 2.200101144734124
Energy: 2.0510098592641586
Energy: 2.2001011447336953
Energy: 2.0510098592650157
Energy: 2.653822956139742
Energy: 2.29014378399672
Energy: 2.6538229561367435
Energy: 2.2901437840070007
Energy: 2.653822956134173
Energy: 2.29014378399672
Energy: 1.5693100376954041
Energy: 1.806008554202
Energy: 1.5693100378962326
Energy: 1.806008554202
Energy: 1.5693100375930618
Energy: 1.806008554202
Energy: 1.8223948135982022
Energy: 1.349921107741075
Energy: 1.8223948138054176
Energy: 1.3499211076357343
Energy: 1.8223948136367165
Energy: 1.3499211077140876
Energy: 2.040339139201529
Energy: 2.6851124984288086
Energy: 2.0403391450813286
Energy: 2.6851124984288086
Energy: 2.040339143658899
Energy: 2.6851124984288086
Energy: 2.6091632732619003
Energy: 2.2633517660755724
Energy: 2.609163273268755
Energy: 2.2633517660717173
Energy: 2.609163273263186
Energy: 2.2633517660742877
Energy: 1.3890662725682563
Energy: 1.8729312975038388
Energy: 1.3890662725699698
Energy: 1.8729312975029824
Energy: 1.3890662725682563
Energy: 1.8729312975021255
Energy: 2.367146178570677
Energy: 2.104549297116627
Energy: 2.367146178571105
Energy: 2.104549297114057
Energy: 2.367146178571105
Energy: 2.104549297117484
Energy: 2.9566061265034183
Energy: 2.349126614916475
Energy: 2.9566061265004198
Energy: 2.349126614919045
Energy: 2.956606126502133
Energy: 2.349126614913476
Energy: 1.6024643832647059
Energy: 2.0809685427740545
Energy: 1.6024643832629926
Energy: 2.0809685427723412
Energy: 1.6024643832625642
Energy: 2.080968542773198
Energy: 1.7301886525369892
Energy: 1.6513171155666375
Energy: 1.7301886525690784
Energy: 1.6513173486342902
Energy: 1.7301886525707917
Energy: 1.6513168577367268
Energy: 1.989971979693289
Energy: 2.8092150421019992
Energy: 1.9899719797150972
Energy: 2.809215042101143
Energy: 1.9899719796911473
Energy: 2.809215042101143
Energy: 2.514920709271676
Energy: 1.9580209568291163
Energy: 2.5149207092712476
Energy: 1.9580209568265459
Energy: 2.5149207092708195
Energy: 1.9580209568278308
Energy: 1.2550587552320738
Energy: 1.8714699361452034
Energy: 1.255058755234644
Energy: 1.871469936147345
Energy: 1.2550587552325019
Energy: 1.8714699361439184
Energy: 2.5273633561409254
Energy: 1.748600410768627
Energy: 2.5273633561096545
Energy: 1.7486004107643436
Energy: 2.5273633561096545
Energy: 1.7486004107523494
Energy: 1.9791892579268242
Energy: 2.793871210732297
Energy: 1.9791892579388186
Energy: 2.79387121073144
Energy: 1.9791892579169716
Energy: 2.793871210731868
Energy: 1.7506229657015904
Energy: 1.8113454434375464
Energy: 1.7506229657015904
Energy: 1.8113454434379745
Energy: 1.750622965702019
Energy: 1.8113454434379745
Energy: 1.6184265175766126
Energy: 2.091246815674445
Energy: 1.6184265175761843
Energy: 2.0912468156740167
Energy: 1.6184265175761843
Energy: 2.0912468156740167

minimum gb energy = 1.079667492097612 eV
minimum distance =  2.32265901170228 Angstroms
sigma value = 57


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

Energy: 0.42344764087730336
Energy: 0.4594207363964118
Energy: 0.42344764087730336
Energy: 0.4594207363964118
Energy: 0.42344764087730336
Energy: 0.4594207363954366
Energy: 1.5001056432274387
Energy: 2.584620643101772
Energy: 1.5001056432274387
Energy: 2.5846206430988463
Energy: 1.5001056432274387
Energy: 2.584620643097871
Energy: 2.071789049394605
Energy: 2.4593561662787016
Energy: 2.0717890493907047
Energy: 2.4593561662787016
Energy: 2.0717890493965556
Energy: 2.459356166279677
Energy: 0.4363251770371205
Energy: 0.4241669618475444
Energy: 0.43632517703029455
Energy: 0.42416696184851954
Energy: 0.4363251770371205
Energy: 0.4241669618475444
Energy: 1.798426464269152
Energy: 0.5805772648434195
Energy: 1.798426464269152
Energy: 0.5805772648424443
Energy: 1.798426464269152
Energy: 0.5805772648424443
Energy: 1.6941679291749459
Energy: 1.7675447292949322
Energy: 1.69416792920615
Energy: 1.767544729293957
Energy: 1.6941679291885978
Energy: 1.767544729293957
Energy: 1.6432064797362942
Energy: 1.7669782108369447
Energy: 1.6432064797362942
Energy: 1.7669782108369447
Energy: 1.6432064797362942
Energy: 1.7669782108369447
Energy: 1.798706406758648
Energy: 0.5756653657633376
Energy: 1.798706406758648
Energy: 0.5756653657623624
Energy: 1.7987064067596232
Energy: 0.5756653657633376
Energy: 0.6957889286711273
Energy: 0.42406371221514794
Energy: 0.6957889286711273
Energy: 0.42406371221514794
Energy: 0.6957889286711273
Energy: 0.42406371221514794
Energy: 2.070924337837758
Energy: 2.4687254371914387
Energy: 2.070924337830932
Energy: 2.468725437186563
Energy: 2.070924337833857
Energy: 2.468725437185588
Energy: 1.5002994213509622
Energy: 2.54939702249191
Energy: 1.5002994213499872
Energy: 2.5493970224812275
Energy: 1.5002994213499872
Energy: 2.549397022488009
Energy: 0.42344764087730336
Energy: 0.4594207363954366
Energy: 0.42344764087730336
Energy: 0.4594207363954366
Energy: 0.42344764087730336
Energy: 0.4594207363954366
Energy: 1.5001056432274387
Energy: 2.584620643101772
Energy: 1.5001056432274387
Energy: 2.5846206431144485
Energy: 1.5001056432274387
Energy: 2.584620643101772
Energy: 2.0717890494014313
Energy: 2.4593561662767516
Energy: 2.071789049398506
Energy: 2.4593561662787016
Energy: 2.071789049400456
Energy: 2.4593561662777264
Energy: 0.43632517704199614
Energy: 0.4241669618475444
Energy: 0.43632517703517015
Energy: 0.4241669618475444
Energy: 0.436325177041021
Energy: 0.42416696184656927
Energy: 1.798426464270127
Energy: 0.5805772648404941
Energy: 1.798426464270127
Energy: 0.5805772648404941
Energy: 1.798426464270127
Energy: 0.5805772648404941
Energy: 1.6941679292344292
Energy: 1.7675447292949322
Energy: 1.6941679292237026
Energy: 1.7675447292949322
Energy: 1.694167929213951
Energy: 1.7675447292949322
Energy: 1.6432064797372692
Energy: 1.7669782108369447
Energy: 1.6432064797372692
Energy: 1.7669782108369447
Energy: 1.6432064797372692
Energy: 1.7669782108369447
Energy: 1.7987064067605982
Energy: 0.5756653657604122
Energy: 1.7987064067605982
Energy: 0.5756653657604122
Energy: 1.7987064067605982
Energy: 0.5756653657604122

minimum gb energy = 0.42344764087730336 eV
minimum distance =  2.39490823243257 Angstroms
sigma value = 11


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

Energy: 1.1624494727603418
Energy: 1.9997491251624027
Energy: 1.1624494727603418
Energy: 1.9997491251638313
Energy: 1.162449472758199
Energy: 1.9997491251645454
Energy: 2.3630752207406758
Energy: 1.6540263645269446
Energy: 2.3630752207399612
Energy: 1.6540263645269446
Energy: 2.3630752207406758
Energy: 1.654026364527659
Energy: 1.9398388812068525
Energy: 2.8372022362688005
Energy: 1.9398388812061385
Energy: 2.8372022362688005
Energy: 1.9398388812068525
Energy: 2.8372022362688005
Energy: 2.201877123017464
Energy: 2.0836516385549912
Energy: 2.201877123017464
Energy: 2.083651638555706
Energy: 2.201877123017464
Energy: 2.083651638555706
Energy: 1.3052951226132723
Energy: 1.733959424275772
Energy: 1.3052951226132723
Energy: 1.7339594242607719
Energy: 1.3052951226132723
Energy: 1.7339594243428516
Energy: 2.6001749318608955
Energy: 1.892245002040177
Energy: 2.6001749318608955
Energy: 1.892245002039463
Energy: 2.6001749318608955
Energy: 1.892245002039463
Energy: 2.214769510612522
Energy: 2.588183172281484
Energy: 2.2147695106218084
Energy: 2.588183172280056
Energy: 2.214769510622523
Energy: 2.588183172280056
Energy: 1.6601879804724549
Energy: 1.9315168936685116
Energy: 1.660187980501027
Energy: 1.9315168936706546
Energy: 1.6601879804910267
Energy: 1.9315168936706546
Energy: 1.6658086820684033
Energy: 1.5131645131718003
Energy: 1.66580868205626
Energy: 1.5131645131732288
Energy: 1.6658086820576885
Energy: 1.5131645131718003
Energy: 2.4156061347906816
Energy: 2.5309842461625967
Energy: 2.4156061347913957
Energy: 2.5309842461625967
Energy: 2.4156061347906816
Energy: 2.5309842461633107
Energy: 2.555271871000347
Energy: 2.167856399006909
Energy: 2.555271871002489
Energy: 2.16785639900548
Energy: 2.5552718709996323
Energy: 2.1678563990076234
Energy: 1.2628411857857553
Energy: 1.7659757204682789
Energy: 1.2628411857857553
Energy: 1.7659757204682789
Energy: 1.2628411857850412
Energy: 1.7659757204682789
Energy: 2.0689808579870292
Energy: 1.7761820687817742
Energy: 2.068980857989173
Energy: 1.7761820687810597
Energy: 2.0689808579870292
Energy: 1.7761820687832028
Energy: 1.9316632953353121
Energy: 2.9178418868475675
Energy: 1.9316632954631072
Energy: 2.9178418868518534
Energy: 1.9316632953374548
Energy: 2.9178418868489966
Energy: 2.4244017271048746
Energy: 2.134435940465136
Energy: 2.4244017271048746
Energy: 2.134435940465136
Energy: 2.4244017271055887
Energy: 2.1344359404644218
Energy: 1.1439009360968275
Energy: 1.988983180471752
Energy: 1.143900936090399
Energy: 1.988983180471752
Energy: 1.1439009360811128
Energy: 1.988983180471752
Energy: 2.1038675858251072
Energy: 1.4935771626728487
Energy: 2.1038675858222495
Energy: 1.4935771626735628
Energy: 2.1038675858222495
Energy: 1.4935771626728487
Energy: 2.0249117048929586
Energy: 2.9067363253250624
Energy: 2.024911704915102
Energy: 2.9067363253236342
Energy: 2.024911704912959
Energy: 2.9067363253243483
Energy: 2.206860880080917
Energy: 2.330293227447216
Energy: 2.2068608800802028
Energy: 2.330293227468644
Energy: 2.2068608800802028
Energy: 2.330293227404357
Energy: 1.2749952745707347
Energy: 1.5451693835743991
Energy: 1.2749952745963848
Energy: 1.5451693836829081
Energy: 1.2749952745750206
Energy: 1.545169383623621
Energy: 2.3262183312779787
Energy: 1.7524880263872156
Energy: 2.326218331293693
Energy: 1.7524880263879299
Energy: 2.3262183313044074
Energy: 1.7524880263893585
Energy: 2.3759188220448766
Energy: 2.5833794118002174
Energy: 2.3759188219763687
Energy: 2.583379411800932
Energy: 2.3759188220455907
Energy: 2.5833794118002174
Energy: 1.7755941941783886
Energy: 2.2029708151252234
Energy: 1.7755941941791027
Energy: 2.202970815067365
Energy: 1.7755941941791027
Energy: 2.202970815065222
Energy: 1.7119284883867951
Energy: 1.1616502555894836
Energy: 1.7119284883860808
Energy: 1.1616502555894836
Energy: 1.7119284883867951
Energy: 1.161650255590198
Energy: 2.3354012713014156
Energy: 2.4323382171689616
Energy: 2.3354012713014156
Energy: 2.4323382171689616
Energy: 2.3354012713114156
Energy: 2.43233821717039
Energy: 2.8983907014312624
Energy: 2.1461344933755364
Energy: 2.8983907014312624
Energy: 2.1461344933783937
Energy: 2.8983907014312624
Energy: 2.1461344933762505

minimum gb energy = 1.1439009360811128 eV
minimum distance =  2.24666695348473 Angstroms
sigma value = 41


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

Energy: 1.3750996669343871
Energy: 1.3526866289921695
Energy: 1.3750996669298832
Energy: 1.3526866291919293
Energy: 1.375099666931572
Energy: 1.3526866289916064
Energy: 1.932669401073399
Energy: 1.7068168785807174
Energy: 1.9326694010728358
Energy: 1.7068168785807174
Energy: 1.9326694010739618
Energy: 1.7068168785767766
Energy: 1.8386492104330334
Energy: 2.8860345758705632
Energy: 1.8386492104330334
Energy: 2.8860345758688744
Energy: 1.8386492104324703
Energy: 2.8860345758683112
Energy: 1.9162113730935555
Energy: 1.8779658561611365
Energy: 1.9162113730862875
Energy: 1.8779658561037624
Energy: 1.916211373109319
Energy: 1.877965856143121
Energy: 1.0188523932314608
Energy: 1.6731699464427747
Energy: 1.0188523932331497
Energy: 1.6731699464422116
Energy: 1.0188523932320237
Energy: 1.6731699464427747
Energy: 2.4074852511882496
Energy: 1.962504178081937
Energy: 2.4074852511876865
Energy: 1.962504178081374
Energy: 2.4074852511882496
Energy: 1.962504178080811
Energy: 2.01884430461826
Energy: 2.4937668024686115
Energy: 2.018844304617698
Energy: 2.4937668024686115
Energy: 2.0188443046317723
Energy: 2.4937668024691746
Energy: 1.5068014488737762
Energy: 1.74380218032137
Energy: 1.5068014491287092
Energy: 1.74380218032137
Energy: 1.506801448934528
Energy: 1.74380218032137
Energy: 1.4394098384699396
Energy: 1.6108082744495613
Energy: 1.4394098384699396
Energy: 1.6108082744484353
Energy: 1.4394098384693768
Energy: 1.6108082744495613
Energy: 2.3164806786377348
Energy: 2.151293937523373
Energy: 2.31648067863886
Energy: 2.151293937523373
Energy: 2.316480678638298
Energy: 2.151293937523373
Energy: 2.324470176090561
Energy: 2.332020029970394
Energy: 2.324470176090561
Energy: 2.332020029701438
Energy: 2.3244701760911237
Energy: 2.332020029818489
Energy: 1.6106807776144187
Energy: 1.8353190909034152
Energy: 1.6106807776132928
Energy: 1.8353190908848365
Energy: 1.6106807776239895
Energy: 1.835319090903978
Energy: 1.538726481575039
Energy: 1.580350927468855
Energy: 1.538726481575039
Energy: 1.5803509274784258
Energy: 1.538726481575039
Energy: 1.580350927468855
Energy: 1.9569733655661
Energy: 2.476206635407254
Energy: 1.9569733655615962
Energy: 2.4762066354061276
Energy: 1.9569733655661
Energy: 2.4762066354021868
Energy: 2.447949236111861
Energy: 2.18666248525337
Energy: 2.4479492361112976
Energy: 2.1866624852505545
Energy: 2.4479492361112976
Energy: 2.1866624852561847
Energy: 1.159398878216526
Energy: 2.02813827978797
Energy: 1.159398878218215
Energy: 1.7053036750178945
Energy: 1.159398878218215
Energy: 1.7053036750178945
Energy: 1.990261222063557
Energy: 1.1899774025123246
Energy: 1.9902612220472302
Energy: 1.1899774025157024
Energy: 1.9902612217287303
Energy: 1.1899774025078205
Energy: 1.7776691799630098
Energy: 2.876093850775273
Energy: 1.7776691799613211
Energy: 2.8760938507769613
Energy: 1.7776691799658249
Energy: 2.8760938507758356
Energy: 1.981880348609446
Energy: 2.207886970009917
Energy: 1.981880348610009
Energy: 2.207886970005976
Energy: 1.981880348609446
Energy: 2.207886970004287
Energy: 1.8883342552411886
Energy: 1.8828669799715232
Energy: 1.8883342553177556
Energy: 1.8828669799709603
Energy: 1.8883342553205702
Energy: 1.8828669799715232
Energy: 1.6804488012471457
Energy: 1.6897351061013037
Energy: 1.6804488012465828
Energy: 1.6897351068210116
Energy: 1.6804488012454568
Energy: 1.6897351064541457
Energy: 1.7947006957127625
Energy: 2.8639142877418373
Energy: 1.7947006956879905
Energy: 2.8639142877412738
Energy: 1.7947006956981246
Energy: 2.8639142877440893
Energy: 2.1005771357043597
Energy: 2.460632182119167
Energy: 2.1005771357043597
Energy: 2.460632182119167
Energy: 2.1005771357049228
Energy: 2.4606321821186037
Energy: 1.526844377295178
Energy: 1.8699571112460778
Energy: 1.5268443773030598
Energy: 1.8699571112466404
Energy: 1.5268443773289062
Energy: 1.8699571112460778
Energy: 1.9483440848980045
Energy: 1.9352374631180673
Energy: 1.9483440848946267
Energy: 1.9352374631180673
Energy: 1.9483440849025084
Energy: 1.9352374631175044
Energy: 2.4420939188627373
Energy: 2.6305514319860825
Energy: 2.4420939188554187
Energy: 2.6305514321003187
Energy: 2.442093918862175
Energy: 2.6305514319309093
Energy: 1.8660843127272124
Energy: 2.491372599580589
Energy: 1.8660843127266498
Energy: 2.4913725995794627
Energy: 1.8660843127311535
Energy: 2.491372599578337
Energy: 1.7889917167810525
Energy: 1.6171249963432626
Energy: 1.7889917167866822
Energy: 1.6171249962926446
Energy: 1.7889917167793634
Energy: 1.617124996316239
Energy: 2.105021981481807
Energy: 2.1997071375698667
Energy: 2.105021981481807
Energy: 2.1997071375777493
Energy: 2.105021981481807
Energy: 2.199707137572682
Energy: 2.5466690749409815
Energy: 2.259581031480489
Energy: 2.5466690811474515
Energy: 2.259581031480489
Energy: 2.5466690748953793
Energy: 2.2595810314810523
Energy: 1.7679542991245707
Energy: 2.442209257899475
Energy: 1.7679542991330153
Energy: 2.442209257899475
Energy: 1.7679542991358304
Energy: 2.4422092579000387
Energy: 2.0939198136696526
Energy: 1.0304733536651596
Energy: 2.0939198136696526
Energy: 1.0304733536499586
Energy: 2.0939198136696526
Energy: 1.0304733536702264
Energy: 1.8582970810660189
Energy: 2.0941637149011383
Energy: 1.858297081058137
Energy: 2.0941637149017005
Energy: 1.8582970810710857
Energy: 2.094163714902827

minimum gb energy = 1.0188523932314608 eV
minimum distance =  2.25791182155508 Angstroms
sigma value = 33


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

Energy: 1.179797697671697
Energy: 1.1503086286050466
Energy: 1.1797976979315379
Energy: 1.150308628603825
Energy: 1.1797976977040965
Energy: 1.1503086286058368
Energy: 2.2456995349334017
Energy: 1.6351848847980297
Energy: 2.2456995349334017
Energy: 1.6351848847980297
Energy: 2.245699534934192
Energy: 1.6351848847980297
Energy: 1.9201012307548666
Energy: 3.020333064995412
Energy: 1.9201012307521368
Energy: 3.020333064999363
Energy: 1.9201012307532863
Energy: 3.0203330649962026
Energy: 1.9408292536307143
Energy: 2.120887330184049
Energy: 1.940829253629924
Energy: 2.1208873301848388
Energy: 1.9408292536307143
Energy: 2.120887330184408
Energy: 1.1697060890519992
Energy: 2.442967096845916
Energy: 1.1697060890519992
Energy: 2.442967096845916
Energy: 1.1697060890519992
Energy: 2.442967096845916
Energy: 2.2614953627114005
Energy: 2.045975921304241
Energy: 2.26149536270982
Energy: 2.0459759213070434
Energy: 2.261495362709389
Energy: 2.0459759213050317
Energy: 1.6935473686911593
Energy: 2.511590134902002
Energy: 1.6935473686642917
Energy: 2.5115901349031513
Energy: 1.6935473686915905
Energy: 2.511590134901571
Energy: 1.9663655084294813
Energy: 1.955552029293512
Energy: 1.966365702483325
Energy: 1.9555520292927215
Energy: 1.9663654746338766
Energy: 1.955552029293512
Energy: 1.889062067369
Energy: 1.1761755157618545
Energy: 1.889062067363109
Energy: 1.1761755157614235
Energy: 1.8890620673658391
Energy: 1.1761755157622138
Energy: 2.9991459448105893
Energy: 1.513087347266286
Energy: 2.999145944810948
Energy: 1.5130873472295048
Energy: 2.9991459448113793
Energy: 1.513087347258384
Energy: 2.2781357382832472
Energy: 2.2813364672170797
Energy: 2.2781357382848273
Energy: 2.2813364672170797
Energy: 2.278135738282098
Energy: 2.2813364672170797
Energy: 2.153835399603827
Energy: 1.8539241057984115
Energy: 2.1538353995990853
Energy: 1.8539241057463285
Energy: 2.153835399605838
Energy: 1.85392410575265
Energy: 1.5260971885138563
Energy: 2.2325730371431067
Energy: 1.526097188519747
Energy: 2.232573037143897
Energy: 1.5260971884901495
Energy: 2.232573037145118
Energy: 1.9257512435687059
Energy: 2.2003676835270363
Energy: 1.9257512435679158
Energy: 2.200367683551174
Energy: 1.9257512435682749
Energy: 2.200367683518775
Energy: 2.27975275239563
Energy: 1.774841846300317
Energy: 2.2797527523948395
Energy: 1.774841846300317
Energy: 2.279752752395199
Energy: 1.774841846299096
Energy: 1.9850709351776803
Energy: 2.1292970450139714
Energy: 1.9850709351753095
Energy: 2.1292970450143307
Energy: 1.985070935181272
Energy: 2.1292970450139714
Energy: 2.257755426169806
Energy: 1.154027353035544
Energy: 2.2577554261702373
Energy: 1.1540273530359753
Energy: 2.2577554261702373
Energy: 1.1540273530347538
Energy: 2.3658348945494017
Energy: 1.891679599650449
Energy: 2.365834894549761
Energy: 1.891679599648509
Energy: 2.365834894549761
Energy: 1.8916795996469287
Energy: 3.017755431018824
Energy: 1.8162781014704001
Energy: 3.017755431105749
Energy: 1.8162781013953284
Energy: 3.0177554310278754
Energy: 1.8162781014604863
Energy: 2.1146551864121035
Energy: 1.6456795120627452
Energy: 2.114655186409302
Energy: 1.6456795120631762
Energy: 2.1146551864156238
Energy: 1.6456795120631762
Energy: 1.6897032657901272
Energy: 1.6498036833037468
Energy: 1.6897032657873972
Energy: 1.649803683269408
Energy: 1.6897032657866073
Energy: 1.6498036833203416
Energy: 1.6029302691380347
Energy: 2.2419485441572626
Energy: 1.6029302691383938
Energy: 2.2419485441620037
Energy: 1.602930269138825
Energy: 2.2419485441643743
Energy: 2.3163215759373177
Energy: 1.8621973054026597
Energy: 2.316321575936958
Energy: 1.8621973062604862
Energy: 2.3163215759404787
Energy: 1.8621973054196137
Energy: 1.6742157954531434
Energy: 1.9541948469648984
Energy: 1.6742157954535024
Energy: 1.9541948469656882
Energy: 1.6742157954535024
Energy: 1.9541948469684183
Energy: 2.1944266367833154
Energy: 1.2737283655725649
Energy: 2.194426636785686
Energy: 1.2737283655153093
Energy: 2.1944266367833154
Energy: 1.27372836556028
Energy: 2.1201795354233957
Energy: 2.3249328576700856
Energy: 2.120179535424617
Energy: 2.3249328576700856
Energy: 2.1201795354170736
Energy: 2.3249328576700856
Energy: 2.4021079129773986
Energy: 1.6318683420283489
Energy: 2.402107912977758
Energy: 1.6318683420275586
Energy: 2.402107912978548
Energy: 1.6318683420271993
Energy: 2.0872163203568306
Energy: 1.8646471907437485
Energy: 2.0872163204184684
Energy: 1.8646471907413775
Energy: 2.087216320395983
Energy: 1.8646471907413775
Energy: 1.4616627002000364
Energy: 2.136250257360138
Energy: 1.4616627001976656
Energy: 2.1362502573593485
Energy: 1.4616627001976656
Energy: 2.1362502573597073
Energy: 1.8451370517883903
Energy: 3.0367801035919855
Energy: 1.8451370517868098
Energy: 3.0367801035919855
Energy: 1.8451370517871688
Energy: 3.036780103591195
Energy: 1.880640734542846
Energy: 2.323734386400702
Energy: 1.880640734543636
Energy: 2.323734386407383
Energy: 1.880640734543205
Energy: 2.3237343864160755
Energy: 1.6807309392795793
Energy: 2.1642695513500048
Energy: 1.6807309392795793
Energy: 2.1642695513507952
Energy: 1.6807309392795793
Energy: 2.1642695513507952
Energy: 2.226012085180756
Energy: 1.8241280400845918
Energy: 2.2260120851791756
Energy: 1.8241280400845918
Energy: 2.226012085180756
Energy: 1.8241280400861721
Energy: 2.405642653662899
Energy: 2.1463874130606375
Energy: 2.405642653664911
Energy: 2.1463874130606375
Energy: 2.405642653664911
Energy: 2.1463874130606375
Energy: 2.397804927975878
Energy: 2.1731178113432144
Energy: 2.3978049279782487
Energy: 2.173117811342424
Energy: 2.397804927977818
Energy: 2.1731178113428546
Energy: 2.2282153552124697
Energy: 1.8262077235540728
Energy: 2.228215355212829
Energy: 1.826207723592722
Energy: 2.2282153552132598
Energy: 1.8262077235548633
Energy: 1.577271588226765
Energy: 2.138034088293159
Energy: 1.5772715882271242
Energy: 2.1380340882951705
Energy: 1.577271588226765
Energy: 2.138034088293159
Energy: 1.8880785292496542
Energy: 2.3297456563279764
Energy: 1.8880785292508757
Energy: 2.3297456563271863
Energy: 1.8880785292500852
Energy: 2.329745656322804
Energy: 1.7302103952562835
Energy: 3.0217673927861033
Energy: 1.7302103951493155
Energy: 3.0217673927841635
Energy: 1.7302103952531225
Energy: 3.0217673927861033
Energy: 1.4712857729417974
Energy: 2.127488293218986
Energy: 1.471285772943378
Energy: 2.1274882932181955
Energy: 1.471285772943737
Energy: 2.127488293219776
Energy: 1.8844713483587487
Energy: 1.8560102564575025
Energy: 1.884471347435046
Energy: 1.8560102564603043
Energy: 1.8844713483493378
Energy: 1.8560102564598733
Energy: 2.405476515194365
Energy: 1.6383861454062691
Energy: 2.405476515194365
Energy: 1.6383861454062691
Energy: 2.4054765151955864
Energy: 1.6383861454038986
Energy: 2.0616730218578314
Energy: 2.3344176659668974
Energy: 2.061673021856251
Energy: 2.3344176659518827
Energy: 2.0616730218586214
Energy: 2.3344176659680467
Energy: 2.218038124325601
Energy: 1.690402628191027
Energy: 2.2180381243251697
Energy: 1.6904026281922484
Energy: 2.2180381243248104
Energy: 1.6904026281906679
Energy: 1.6717894183388182
Energy: 1.946571676705454
Energy: 1.6717894183396087
Energy: 1.9465716767157266
Energy: 1.6717894183388182
Energy: 1.9465716767101953
Energy: 2.3158819943911833
Energy: 1.8510555316380601
Energy: 2.315881994389963
Energy: 1.8510555353970943
Energy: 2.3158819943896027
Energy: 1.8510555235821347
Energy: 1.575555810170603
Energy: 2.261465412550298
Energy: 1.5755558101710339
Energy: 2.261465412549508
Energy: 1.5755558101710339
Energy: 2.261465412549508

minimum gb energy = 1.150308628603825 eV
minimum distance =  2.31105514616285 Angstroms
sigma value = 67


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

Energy: 2.775567402192954
Energy: 1.7605127082399308
Energy: 2.775567402192954
Energy: 1.7605127080762697
Energy: 2.775567402192954
Energy: 1.760512707899405
Energy: 1.3395562637452298
Energy: 1.7846751492785167
Energy: 1.3395562637452298
Energy: 1.7846751492758761
Energy: 1.3395562637452298
Energy: 1.7846751492758761
Energy: 2.3899462831064535
Energy: 2.7939154672743687
Energy: 2.3899458650267382
Energy: 2.7939154672770097
Energy: 1.6247824778857634
Energy: 2.7939154672770097
Energy: 1.3395379253753599
Energy: 1.7903307493526146
Energy: 1.3395379253753599
Energy: 1.7903307493552554
Energy: 1.3395379253753599
Energy: 1.7903307493552554
Energy: 2.775567402192954
Energy: 1.760512710074352
Energy: 2.775567402192954
Energy: 1.7605127096942765
Energy: 2.775567402192954
Energy: 1.7605127099740672
Energy: 1.3395562637452298
Energy: 1.7846751492573918
Energy: 1.3395562637452298
Energy: 1.7846751492573918
Energy: 1.3395562637452298
Energy: 1.7846751492600323
Energy: 1.624833416748543
Energy: 2.7939154672743687
Energy: 1.6248736016107428
Energy: 2.7939154672743687
Energy: 1.6248263151582485
Energy: 2.7939154672743687

minimum gb energy = 1.3395379253753599 eV
minimum distance =  2.42223928006125 Angstroms
sigma value = 3


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

Energy: 2.4483833327487092
Energy: 2.3322932398303884
Energy: 2.4483833327487092
Energy: 2.3322932398267953
Energy: 2.4483833327487092
Energy: 2.3322932398267953
Energy: 2.3620433138037216
Energy: 2.056097478341705
Energy: 2.3620433138037216
Energy: 2.056097478341705
Energy: 2.3620433138037216
Energy: 2.056097478341705
Energy: 1.7514634103602635
Energy: 2.8014147809160828
Energy: 1.7514634103602635
Energy: 2.8014147809196763
Energy: 1.7514634103602635
Energy: 2.8014147809196763
Energy: 2.4749931547427675
Energy: 1.739666156480748
Energy: 2.4749931547427675
Energy: 1.739666156480748
Energy: 2.4749931547427675
Energy: 1.739666156480748
Energy: 2.308298005596705
Energy: 2.033001454147352
Energy: 2.308298005596705
Energy: 2.0330014541437587
Energy: 2.308298005596705
Energy: 2.033001454147352
Energy: 2.3351472131532884
Energy: 2.341736339878963
Energy: 2.3351472131532884
Energy: 2.341736339878963
Energy: 2.3351472131532884
Energy: 2.3417363398825564
Energy: 1.9402328145051226
Energy: 2.579945943332511
Energy: 1.9402328144979357
Energy: 2.579945943332511
Energy: 1.9402328145051226
Energy: 2.579945943332511
Energy: 2.371773538185769
Energy: 1.714957077197694
Energy: 2.371773538185769
Energy: 1.7096021781000645
Energy: 2.371773538185769
Energy: 1.7096021780713166
Energy: 2.2538856744018654
Energy: 2.0068899570140055
Energy: 2.2538856744018654
Energy: 2.0068899570140055
Energy: 2.2538856744018654
Energy: 2.0068899570140055
Energy: 2.108365743599553
Energy: 2.550343094058489
Energy: 2.108365743635489
Energy: 2.550343094058489
Energy: 2.108365743599553
Energy: 2.550343094058489
Energy: 2.406082072046177
Energy: 2.298361818340072
Energy: 2.406082072046177
Energy: 2.298361818336478
Energy: 2.406082072046177
Energy: 2.2983618183436656
Energy: 2.215154412799236
Energy: 1.6939059396673313
Energy: 2.2151544128279843
Energy: 1.6939059396673313
Energy: 2.215154412774082
Energy: 1.6939059396673313
Energy: 2.295338782192532
Energy: 2.0095865556874495
Energy: 2.295338782188938
Energy: 2.0095865556874495
Energy: 2.295338782192532
Energy: 2.0095865556874495
Energy: 1.9858513103394357
Energy: 2.6082641310712176
Energy: 1.9858513103394357
Energy: 2.6082641310568437
Energy: 1.9858513103394357
Energy: 2.6082641310604373
Energy: 2.547415362552246
Energy: 2.1061840064778106
Energy: 2.547415362552246
Energy: 2.1061840064742174
Energy: 2.547415362552246
Energy: 2.1061840064778106
Energy: 2.315613170786607
Energy: 2.070422108248484
Energy: 2.315613170786607
Energy: 2.070422108248484
Energy: 2.315613170786607
Energy: 2.070422108248484
Energy: 2.2849821363898655
Energy: 2.1134851065154363
Energy: 2.2849821363898655
Energy: 2.11348510651903
Energy: 2.284982136393459
Energy: 2.11348510651903
Energy: 1.9327299905336544
Energy: 2.5728025466559505
Energy: 1.9327299905336544
Energy: 2.5728025518965643
Energy: 1.9327299905336544
Energy: 2.5728026017628247
Energy: 2.7006891537311084
Energy: 1.8330315647575377
Energy: 2.7006891537311084
Energy: 1.8330315647575377
Energy: 2.7006891537311084
Energy: 1.8330315647575377
Energy: 2.1159773409766593
Energy: 2.1201458438994836
Energy: 2.1159773409766593
Energy: 2.1201458438994836
Energy: 2.115977340965879
Energy: 2.1201458438994836
Energy: 2.2503391131309183
Energy: 2.2964520870213043
Energy: 2.2503391131309183
Energy: 2.2964520870213043
Energy: 2.250339113134512
Energy: 2.2964520870213043
Energy: 1.9269936004968375
Energy: 2.5493517129068572
Energy: 1.9269936004752766
Energy: 2.5493517129032637
Energy: 1.92699360047887
Energy: 2.5493517129068572
Energy: 2.677674399551616
Energy: 1.75748402244461
Energy: 2.6776743995695833
Energy: 1.75748402244461
Energy: 2.677674399551616
Energy: 1.75748402244461
Energy: 1.905940684043914
Energy: 2.1212023546814356
Energy: 1.905940684043914
Energy: 2.1212023546814356
Energy: 1.905940684043914
Energy: 2.1212023546814356
Energy: 2.000351029538932
Energy: 2.285326793534553
Energy: 2.0003510295425255
Energy: 2.2853267935597077
Energy: 2.000351029538932
Energy: 2.285326793584862
Energy: 2.1322633392158457
Energy: 2.48213803190242
Energy: 2.1322633392122516
Energy: 2.482138031906014
Energy: 2.132263339208658
Energy: 2.4821380319203876
Energy: 2.7792581838586394
Energy: 1.761863338766194
Energy: 2.779258183855046
Energy: 1.761863338766194
Energy: 2.779258183855046
Energy: 1.761863338766194
Energy: 1.7938116274745786
Energy: 2.087558747277583
Energy: 1.7938116274745786
Energy: 2.087558747277583
Energy: 1.7938116274745786
Energy: 2.087558747277583
Energy: 2.0361185832388324
Energy: 2.1571581931548516
Energy: 2.0361185832424256
Energy: 2.1571581931548516
Energy: 2.0361185832424256
Energy: 2.1571581931548516
Energy: 2.3872310717712777
Energy: 2.3596597609681367
Energy: 2.387231071767684
Energy: 2.3596597609681367
Energy: 2.3872310717712777
Energy: 2.3596597609681367
Energy: 2.477898110325659
Energy: 2.3141419010053017
Energy: 2.477898110325659
Energy: 2.3141419008867166
Energy: 2.477898110325659
Energy: 2.314141900951399
Energy: 1.9051773013073834
Energy: 2.1300104201943233
Energy: 1.9051773013073834
Energy: 2.1300104201943233
Energy: 1.9051773013073834
Energy: 2.1300104201943233
Energy: 2.018758721405533
Energy: 2.197680501540683
Energy: 2.018758721405533
Energy: 2.197680501540683
Energy: 2.01875872140194
Energy: 2.197680501540683
Energy: 2.572754381595593
Energy: 1.8349515419584321
Energy: 2.572754381595593
Energy: 1.8349515419584321
Energy: 2.572754381595593
Energy: 1.8349515419620257
Energy: 2.2814662491225826
Energy: 2.440340725508432
Energy: 2.2814662491225826
Energy: 2.440340725508432
Energy: 2.2814662491225826
Energy: 2.440340725508432
Energy: 1.8822955342953176
Energy: 2.283610262217513
Energy: 1.8822955342953176
Energy: 2.283610262217513
Energy: 1.8822955342953176
Energy: 2.283610262217513
Energy: 2.113822567699567
Energy: 2.2075268987441783
Energy: 2.113822567699567
Energy: 2.2075268987441783
Energy: 2.113822567699567
Energy: 2.2075268987441783
Energy: 2.6722661139883823
Energy: 1.699108683285601
Energy: 2.6722661139883823
Energy: 1.6991086832891946
Energy: 2.6722661139883823
Energy: 1.699108683285601
Energy: 1.8350138092480988
Energy: 2.754693940390615
Energy: 1.835013809240912
Energy: 2.7546939404301436
Energy: 1.8350138092876271
Energy: 2.7546939404121757
Energy: 2.114313654576675
Energy: 2.2781907015668086
Energy: 2.114313654576675
Energy: 2.2781907015668086
Energy: 2.114313654576675
Energy: 2.2781907015668086
Energy: 2.209314107240617
Energy: 2.0629737999653504
Energy: 2.209314107240617
Energy: 2.0629737999653504
Energy: 2.209314107240617
Energy: 2.0629737999653504
Energy: 2.7368231986308444
Energy: 1.788597381397412
Energy: 2.7368231986308444
Energy: 1.7885973813938185
Energy: 2.7368231986308444
Energy: 1.788597381397412
Energy: 1.8078321639287602
Energy: 2.7893227144975747
Energy: 1.8078321639287602
Energy: 2.7893227144975747
Energy: 1.8078321639287602
Energy: 2.7893227144975747
Energy: 2.2659944482695886
Energy: 2.0300129178214843
Energy: 2.2659944482695886
Energy: 2.0300129178214843
Energy: 2.2659944482695886
Energy: 2.0300129178214843
Energy: 2.4270717562239885
Energy: 1.9749425175212603
Energy: 2.4270717562239885
Energy: 1.9749425175212603
Energy: 2.4270717562239885
Energy: 1.9749425175212603
Energy: 2.4617668715338326
Energy: 2.0208163140402666
Energy: 2.4617668712321104
Energy: 2.0208163140833886
Energy: 2.4617668709232006
Energy: 2.0208163140762014
Energy: 1.6744329245148497
Energy: 2.775210771980811
Energy: 1.674432924518443
Energy: 2.775210771977217
Energy: 1.674432924507663
Energy: 2.775210771980811
Energy: 2.492874467729306
Energy: 2.0215744250153995
Energy: 2.4928744677257124
Energy: 2.0215744250153995
Energy: 2.492874467729306
Energy: 2.0215744250153995
Energy: 2.193657825012927
Energy: 1.7830047645180993
Energy: 2.193657825012927
Energy: 1.7830047645180993
Energy: 2.193657825012927
Energy: 1.7830047645180993
Energy: 2.352726213035099
Energy: 2.359032675612897
Energy: 2.352726213017197
Energy: 2.3590326756164903
Energy: 2.352726213017197
Energy: 2.359032675612897
Energy: 2.166331605603218
Energy: 2.5488433360523577
Energy: 2.1663316056068114
Energy: 2.5488433360523577
Energy: 2.166331605603218
Energy: 2.5488433360523577

minimum gb energy = 1.674432924507663 eV
minimum distance =  2.26718312515628 Angstroms
sigma value = 81


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

Energy: 2.4204137331454723
Energy: 2.4010234436441524
Energy: 2.2779959013925524
Energy: 2.4010234436446454
Energy: 2.420413733144486
Energy: 2.4010234436441524
Energy: 2.171575369258585
Energy: 2.0474363251859597
Energy: 2.1715753692605575
Energy: 2.043645290532076
Energy: 2.171575369257598
Energy: 2.0474363251844796
Energy: 2.218525665510228
Energy: 2.6382958564721504
Energy: 2.230121035102904
Energy: 2.638295856407048
Energy: 2.2185256655117076
Energy: 2.638295856393238
Energy: 2.18050195860092
Energy: 2.375826517850562
Energy: 2.180501958598454
Energy: 2.375826517851055
Energy: 2.180501958598454
Energy: 2.3758265178500686
Energy: 2.052153903974834
Energy: 2.071533527599358
Energy: 2.0521539039743413
Energy: 2.071533527599852
Energy: 2.0521539039753276
Energy: 2.071533527598865
Energy: 2.2347667979023105
Energy: 2.2246929023206867
Energy: 2.234766797902803
Energy: 2.143439088894117
Energy: 2.234766797904283
Energy: 2.2246929023201942
Energy: 1.9609896089344612
Energy: 2.265283203798609
Energy: 1.9609896089359409
Energy: 2.2878459463756244
Energy: 1.960989608935448
Energy: 2.265283203799595
Energy: 2.6160197344178258
Energy: 2.3782089120626044
Energy: 2.557198251356847
Energy: 2.378208912061618
Energy: 2.6160197354314
Energy: 2.3782089120611247
Energy: 2.5384196995141997
Energy: 2.265687874102401
Energy: 2.5384196995146926
Energy: 2.2656878741004283
Energy: 2.5384196995146926
Energy: 2.2656878741028943
Energy: 1.7115952463172106
Energy: 2.644264046701746
Energy: 1.7115952463181967
Energy: 2.644264046701253
Energy: 1.7115952463196764
Energy: 2.644264046702239
Energy: 2.2217180153476974
Energy: 2.0636252947375064
Energy: 2.22171801534967
Energy: 2.0636252947375064
Energy: 2.2217180153506564
Energy: 2.0636252947370135
Energy: 2.0293425235295914
Energy: 2.2861743306898497
Energy: 2.0293425235295914
Energy: 2.2861743306863973
Energy: 2.0293425235305773
Energy: 2.2861743306883704
Energy: 2.077688374206991
Energy: 2.1752142737130833
Energy: 2.077688374206497
Energy: 2.1899765685547843
Energy: 2.0776883742045245
Energy: 2.175214273714069
Energy: 2.1581037318963268
Energy: 2.76683118074419
Energy: 2.158103731897313
Energy: 2.766831180743204
Energy: 2.1581037318948475
Energy: 2.7668311807422175
Energy: 2.5226037874600027
Energy: 1.9852409629017937
Energy: 2.5226037874624687
Energy: 1.9852409873177468
Energy: 2.5226037874629617
Energy: 1.9852410542036623
Energy: 2.0328005783962024
Energy: 1.8148673454348943
Energy: 2.0328005784380796
Energy: 1.8148673454314417
Energy: 2.032800578439066
Energy: 1.8148673454348943
Energy: 2.1640465414336463
Energy: 2.279869093020609
Energy: 2.164046541435126
Energy: 2.360889217489374
Energy: 2.1640465414331533
Energy: 2.279869093021102
Energy: 1.7715397337169778
Energy: 2.203051579467853
Energy: 1.7935062007164357
Energy: 2.2030515794673597
Energy: 1.771539733711104
Energy: 2.203051579468346
Energy: 2.6215485931489324
Energy: 2.3884704122503093
Energy: 2.6215485931282183
Energy: 2.2093065440189656
Energy: 2.621548593168123
Energy: 2.3884704122508023
Energy: 2.1689721056127107
Energy: 2.370204567782713
Energy: 2.1689721056122173
Energy: 2.370204567782713
Energy: 2.1689721056127107
Energy: 2.370204567782713
Energy: 2.0888890258315
Energy: 2.264534652256515
Energy: 2.0888890258305137
Energy: 2.2645346522579946
Energy: 2.0888890258324864
Energy: 2.2645346522570082
Energy: 2.140240164612172
Energy: 2.1438411732361633
Energy: 2.1393711484405316
Energy: 2.1438411732351765
Energy: 2.140240164614145
Energy: 2.1438411732351765
Energy: 2.1176636055937665
Energy: 2.1813200682105713
Energy: 2.243027689619465
Energy: 2.1813200682105713
Energy: 2.1176636055932736
Energy: 2.1813200682100784
Energy: 2.2565661946814295
Energy: 2.4500053229757626
Energy: 2.2565661946814295
Energy: 2.4368186691949356
Energy: 2.2565661946824163
Energy: 2.4500053229747762
Energy: 1.9181633836334613
Energy: 2.567345304887917
Energy: 1.9181633836334613
Energy: 2.567345304887917
Energy: 1.9181633836329681
Energy: 2.5673453048874237
Energy: 2.585922769810965
Energy: 2.1843740624238523
Energy: 2.5859227711267376
Energy: 2.184374062424839
Energy: 2.5859227705164227
Energy: 2.1843740624243457
Energy: 1.9304780561829384
Energy: 2.0992665810242213
Energy: 1.930478056183925
Energy: 2.0992665810227416
Energy: 1.9304780561854045
Energy: 2.099266581025208
Energy: 2.1743810488156092
Energy: 2.3611802182473287
Energy: 2.1743810488151163
Energy: 2.279882209190601
Energy: 2.1743810488151163
Energy: 2.3611802182473287
Energy: 2.2720224575518024
Energy: 2.122989783301187
Energy: 2.2370156495476805
Energy: 2.122989783301187
Energy: 2.2720224575518024
Energy: 2.1229897833002003
Energy: 2.559209856067007
Energy: 2.012154752127694
Energy: 2.5592098561927292
Energy: 1.9718138779934555
Energy: 2.5592098561641237
Energy: 2.012154752126708
Energy: 2.3859889528400413
Energy: 2.5737581696917577
Energy: 2.3859889528390545
Energy: 2.5737581697094685
Energy: 2.3859889528390545
Energy: 2.573758169679921
Energy: 1.8967516752277747
Energy: 2.027901501893591
Energy: 1.8967516752262954
Energy: 2.0279015018526554
Energy: 1.8967516752262954
Energy: 2.0279015018847133
Energy: 2.0294754220251154
Energy: 2.2564963700191756
Energy: 2.029475422024129
Energy: 2.256496370018682
Energy: 2.029475422024129
Energy: 2.2564963700181893
Energy: 2.2399509734382477
Energy: 1.887282674568365
Energy: 2.2399509734357816
Energy: 1.8872826745367999
Energy: 2.239950973436275
Energy: 1.8872826745836542
Energy: 2.005122088218833
Energy: 2.6989570382235417
Energy: 1.9834637670575754
Energy: 2.69895703826941
Energy: 2.005122088218833
Energy: 2.698957038214664
Energy: 2.3642887981655076
Energy: 2.164973624159263
Energy: 2.364288798165014
Energy: 2.16497362415877
Energy: 2.3642887981660006
Energy: 2.1649736241577835
Energy: 2.975712721633686
Energy: 2.2753513040408375
Energy: 2.9757127216341788
Energy: 2.275351304036892
Energy: 2.975712721634672
Energy: 2.2753513040477427
Energy: 2.1037322102903118
Energy: 2.276409648036097
Energy: 2.1037322102893254
Energy: 2.312459416479525
Energy: 2.1037322102898184
Energy: 2.2764096480356035

minimum gb energy = 1.7115952463172106 eV
minimum distance =  2.25071769452482 Angstroms
sigma value = 43


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

Energy: 2.2532738934831014
Energy: 2.004324855715183
Energy: 2.253273893487342
Energy: 2.004324855715183
Energy: 2.2532738934885534
Energy: 2.004324855715183
Energy: 2.3500348463945793
Energy: 2.0345521046944186
Energy: 2.350034846401849
Energy: 2.034552104695603
Energy: 2.3500348464012433
Energy: 2.034552104694997
Energy: 1.9899231250316074
Energy: 2.6013015999696827
Energy: 1.9899231250303957
Energy: 2.601301599973318
Energy: 1.9569106317300555
Energy: 2.6013015999739237
Energy: 2.393903760942848
Energy: 1.805451341820612
Energy: 2.3939037609434544
Energy: 1.805451341820612
Energy: 2.393903760944666
Energy: 1.805451341820612
Energy: 2.1804108115667535
Energy: 1.9306649753966316
Energy: 2.1804108115667535
Energy: 1.9306649753960259
Energy: 2.1804108115667535
Energy: 1.9306649753966316
Energy: 2.0079289789262504
Energy: 2.3769496690016796
Energy: 2.0079289789262504
Energy: 2.3769496690016796
Energy: 2.0079289789262504
Energy: 2.3769496690016796
Energy: 2.3563738795620814
Energy: 2.152451380785041
Energy: 2.3563738795620814
Energy: 2.152451380785647
Energy: 2.356373879562687
Energy: 2.152451380785041
Energy: 2.268714718352109
Energy: 1.7003386642232896
Energy: 2.2687147183527148
Energy: 1.7003386642214722
Energy: 2.268714718352109
Energy: 1.700338664225713
Energy: 2.3372153367260435
Energy: 1.9786199212856508
Energy: 2.3372153367260435
Energy: 1.9786199212862567
Energy: 2.3372153367260435
Energy: 1.9786199212856508
Energy: 1.695594531056957
Energy: 2.442997100354951
Energy: 1.6955945310593803
Energy: 2.442997100354345
Energy: 1.6955945310521106
Energy: 2.442997100354345
Energy: 2.65029878359198
Energy: 1.967397532542964
Energy: 2.650298783608915
Energy: 1.967397532542964
Energy: 2.650298783586528
Energy: 1.967397532542964
Energy: 2.2786814523557855
Energy: 1.9762773813449603
Energy: 2.2786814523551797
Energy: 1.9762773813431431
Energy: 2.2786814523557855
Energy: 1.9762773813449603
Energy: 2.0388806576971215
Energy: 2.179303082981448
Energy: 2.0388806576971215
Energy: 2.179303082980842
Energy: 2.0388806576971215
Energy: 2.1793030829796303
Energy: 1.9803164475489339
Energy: 2.4677600694694677
Energy: 1.9803164475489339
Energy: 2.467760069435542
Energy: 1.9803164475489339
Energy: 2.4677600696759385
Energy: 2.5908048861124624
Energy: 1.7832309954151115
Energy: 2.5908048861124624
Energy: 1.7832309954157173
Energy: 2.5908048861124624
Energy: 1.7832309954157173
Energy: 2.1477945281490283
Energy: 2.2168971553361083
Energy: 2.147794528148423
Energy: 2.2168971553385317
Energy: 2.1477945281490283
Energy: 2.2168971553361083
Energy: 1.866628931092355
Energy: 2.146879532909363
Energy: 1.866628931086903
Energy: 2.146879532909363
Energy: 1.8666289310935669
Energy: 2.146879532909363
Energy: 2.3089886005976488
Energy: 2.335011827277297
Energy: 2.3089886005976488
Energy: 2.335011827277903
Energy: 2.3089886005976488
Energy: 2.335011827277297
Energy: 2.322298489135191
Energy: 2.27370487021643
Energy: 2.322298489135191
Energy: 2.27370487021643
Energy: 2.322298489135191
Energy: 2.27370487021643
Energy: 2.0003205900304577
Energy: 2.2288958447128975
Energy: 2.0003205900304577
Energy: 2.2288958447128975
Energy: 2.0003205900304577
Energy: 2.2288958447128975
Energy: 1.8903870122463677
Energy: 2.246385646541458
Energy: 1.8903870122433388
Energy: 2.246385646541458
Energy: 1.8903870122439446
Energy: 2.246385646541458
Energy: 2.643023678336455
Energy: 1.6896341647205728
Energy: 2.643023678336455
Energy: 1.6896341647151207
Energy: 2.643023678335243
Energy: 1.689634164719967
Energy: 1.8835796156197484
Energy: 2.3209686112383903
Energy: 1.8835796156203541
Energy: 2.320968611237784
Energy: 1.8835796156203541
Energy: 2.3209686112371783
Energy: 2.1583833105006685
Energy: 2.2465528943274053
Energy: 2.1583833105006685
Energy: 2.2465528943274053
Energy: 2.1583833105006685
Energy: 2.246552894326194
Energy: 2.297644123526174
Energy: 2.0618116215604636
Energy: 2.297644123526174
Energy: 2.0618116215604636
Energy: 2.297644123526174
Energy: 2.0618116215604636
Energy: 2.540966093639053
Energy: 1.9941003761134897
Energy: 2.540966093639659
Energy: 1.9941003761134897
Energy: 2.540966093639053
Energy: 1.9941003761134897
Energy: 1.7108729646904781
Energy: 2.1938166135473405
Energy: 1.7108729646904781
Energy: 2.193816613545523
Energy: 1.7108729646904781
Energy: 2.193816613548552
Energy: 2.2028389201718577
Energy: 2.235849711722751
Energy: 2.2028389201718577
Energy: 2.2358497117257805
Energy: 2.202838920171252
Energy: 2.2358497117233567
Energy: 2.2057704209296976
Energy: 1.7004157741811823
Energy: 2.205770420928486
Energy: 1.7004157741811823
Energy: 2.2057704209296976
Energy: 1.7004157741805765
Energy: 2.189955114436158
Energy: 2.2303092006248844
Energy: 2.1899551144355525
Energy: 2.2303092006109506
Energy: 2.1899551144355525
Energy: 2.2303092006896783
Energy: 1.9041454187043951
Energy: 2.2051256457280317
Energy: 1.904145418705607
Energy: 2.2051256457280317
Energy: 1.9041454187043951
Energy: 2.2051256457280317

minimum gb energy = 1.6896341647151207 eV
minimum distance =  2.25389563578843 Angstroms
sigma value = 57


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

Energy: 2.0800693221285678
Energy: 2.0607289238341617
Energy: 2.0800693221285678
Energy: 2.060728923841222
Energy: 2.080069322127783
Energy: 2.0607289238318085
Energy: 2.1442978374838755
Energy: 1.9879638412941878
Energy: 2.1442978374838755
Energy: 1.9879638421738857
Energy: 2.1442978374846597
Energy: 1.9879638412871639
Energy: 1.5240410693738335
Energy: 2.4128237252915805
Energy: 1.5240410693730495
Energy: 2.4128237252915805
Energy: 1.5240410693738335
Energy: 2.4128237252923648
Energy: 2.551830097710482
Energy: 1.8608370220529038
Energy: 2.5518300977112665
Energy: 1.860837022046629
Energy: 2.5518300977112665
Energy: 1.8608370220521195
Energy: 2.0151075504161318
Energy: 2.2236817947139382
Energy: 2.015107550418485
Energy: 2.2236817947123693
Energy: 2.015107550403581
Energy: 2.2236817947123693
Energy: 1.5890661544309566
Energy: 2.46112763520146
Energy: 1.5890661544333098
Energy: 2.46112763520146
Energy: 1.589066154431741
Energy: 2.4611276352022444
Energy: 1.8301325855824833
Energy: 1.8724176618503372
Energy: 1.8301325855895425
Energy: 1.8724176618503372
Energy: 1.8301325855809143
Energy: 1.8724176618495527
Energy: 2.3837793412145594
Energy: 1.937335600643377
Energy: 2.383779341216912
Energy: 1.937335600643377
Energy: 2.3837793412145594
Energy: 1.9373356006425926
Energy: 1.777861177244106
Energy: 2.045059517900064
Energy: 1.777861177244106
Energy: 2.0450595178906514
Energy: 1.777861177244106
Energy: 2.0450595178906514
Energy: 1.7313176029313768
Energy: 2.231800729780528
Energy: 1.7313176029321613
Energy: 2.2318007297813125
Energy: 1.7313176029313768
Energy: 2.231800729780528
Energy: 2.445916191138566
Energy: 1.8390936613891133
Energy: 2.445916191147194
Energy: 1.8390936613914666
Energy: 2.4459161911424876
Energy: 1.8390936613836226
Energy: 2.0979055589069313
Energy: 2.1519444606434113
Energy: 2.097905558877124
Energy: 2.1519444606434113
Energy: 2.0979055589194457
Energy: 2.1519444606434113
Energy: 1.439342661606158
Energy: 2.036132870587638
Energy: 1.4393426616069422
Energy: 2.036132870587638
Energy: 1.4393426616069422
Energy: 2.036132870587638
Energy: 2.104170548784384
Energy: 2.362103910040574
Energy: 2.1041705487867373
Energy: 2.3621039100413586
Energy: 2.1041705487851687
Energy: 2.36210391003979
Energy: 1.9837071223729918
Energy: 1.7439418760866585
Energy: 1.9837071223729918
Energy: 1.7439418760866585
Energy: 1.9837071223729918
Energy: 1.743941876087443
Energy: 1.9003745631396134
Energy: 2.053376921671294
Energy: 1.9003745631388291
Energy: 2.0533769216720787
Energy: 1.9003745631396134
Energy: 2.053376921671294
Energy: 1.5859356222549863
Energy: 2.0159528071004233
Energy: 1.5859356222542018
Energy: 2.0159528071004233
Energy: 1.5859356222573395
Energy: 2.0159528071004233
Energy: 2.754024981007546
Energy: 1.8937925815232755
Energy: 2.7540249809636563
Energy: 1.893792581525629
Energy: 2.754024980763707
Energy: 1.8937925815264132
Energy: 1.5846262321976488
Energy: 1.9986479009701272
Energy: 1.5846262321984332
Energy: 1.9986479009811084
Energy: 1.5846262321968645
Energy: 1.998647900980324
Energy: 1.8977647463168756
Energy: 2.0670858219605237
Energy: 1.8977647463145222
Energy: 2.0670858219605237
Energy: 1.897764746329426
Energy: 2.0670858219605237
Energy: 1.9838325286808727
Energy: 1.7455504194425266
Energy: 1.9838325286816574
Energy: 1.7455504194425266
Energy: 1.9838325286808727
Energy: 1.745550419443311
Energy: 2.1021138755719093
Energy: 2.311301925326723
Energy: 2.1021138755726945
Energy: 2.3113019253353513
Energy: 2.1021138755703412
Energy: 2.3113019253298606
Energy: 1.4174599349578758
Energy: 2.0428183035244256
Energy: 1.4174599349586603
Energy: 2.0428183035252108
Energy: 1.4174599349578758
Energy: 2.0428183035252108
Energy: 2.1129775984820958
Energy: 2.165167391056659
Energy: 2.11297759848288
Energy: 2.165167391056659
Energy: 2.11297759848288
Energy: 2.165167391056659

minimum gb energy = 1.4174599349578758 eV
minimum distance =  2.30805581540662 Angstroms
sigma value = 17


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

Energy: 1.8253906258088488
Energy: 1.7745157241380562
Energy: 1.8253906258099584
Energy: 1.7745157241391658
Energy: 1.8253906258088488
Energy: 1.774515724140275
Energy: 1.7144526090917114
Energy: 1.8393553363143142
Energy: 1.714452609090602
Energy: 1.8393553363154238
Energy: 1.714452609090602
Energy: 1.8393553363154238
Energy: 1.7799646712502895
Energy: 1.8581329645593492
Energy: 1.7799646712513986
Energy: 1.858132964710113
Energy: 1.7799646712513986
Energy: 1.8581329645593492
Energy: 1.804743254784891
Energy: 1.7987809903092296
Energy: 1.804743254784891
Energy: 1.7987809903081202
Energy: 1.8047432547837816
Energy: 1.7987809903092296
Energy: 1.976049729633744
Energy: 2.0134074451455084
Energy: 1.976049729633744
Energy: 2.0134074451455084
Energy: 1.976049729633744
Energy: 2.0134074451455084
Energy: 1.6087780948410701
Energy: 1.7380049235729533
Energy: 1.6087780948410701
Energy: 1.7380049235729533
Energy: 1.6087780948410701
Energy: 1.7380049235740622
Energy: 1.8859183576686371
Energy: 1.7058950446509895
Energy: 1.8859183576686371
Energy: 1.705895044648771
Energy: 1.8859183576686371
Energy: 1.7058950446698478
Energy: 1.7264029469034254
Energy: 1.9946610493081498
Energy: 1.7264029469000974
Energy: 1.9946610493081498
Energy: 1.7264029469000974
Energy: 1.9946610493081498
Energy: 1.4533089260556091
Energy: 1.9124734334685738
Energy: 1.4533089260556091
Energy: 1.9124734334685738
Energy: 1.4533089260556091
Energy: 1.9124734334685738
Energy: 1.800606185487058
Energy: 1.9122996425115029
Energy: 1.8006061854881674
Energy: 1.9122996425037377
Energy: 1.800606185487058
Energy: 1.912299642542513
Energy: 1.8644104757926674
Energy: 1.6167059278531006
Energy: 1.8644104757926674
Energy: 1.6167059278542102
Energy: 1.8644104757926674
Energy: 1.6167059278531006
Energy: 1.914493245010803
Energy: 1.9528592589640612
Energy: 1.914493245010803
Energy: 1.952859258962952
Energy: 1.9144932450119123
Energy: 1.9528592589640612
Energy: 1.6325333097815364
Energy: 1.8748304936073255
Energy: 1.6325333102927226
Energy: 1.8748304934809157
Energy: 1.6325333097216848
Energy: 1.8748304934532336
Energy: 1.9517577425055972
Energy: 1.5084155829124863
Energy: 1.951757742524455
Energy: 1.508415582911377
Energy: 1.951757742510034
Energy: 1.508415582911377
Energy: 1.73290745228277
Energy: 1.923923463272831
Energy: 1.73290745228277
Energy: 1.923923463272831
Energy: 1.73290745228277
Energy: 1.9239234632717217
Energy: 1.8076304753059436
Energy: 2.2186818762018046
Energy: 1.8076304750531238
Energy: 2.2186818762006957
Energy: 1.8076304755288124
Energy: 2.2186818762018046
Energy: 1.704549295964533
Energy: 1.3016639120997782
Energy: 1.704549295963424
Energy: 1.3016639120986688
Energy: 1.704549295964533
Energy: 1.3016639120997782

minimum gb energy = 1.3016639120986688 eV
minimum distance =  2.31768646512102 Angstroms
sigma value = 17


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

Energy: 1.743893836706528
Energy: 1.6617214787506294
Energy: 1.689121898008252
Energy: 1.6617214787514865
Energy: 1.7438938367061
Energy: 1.6617214787514865
Energy: 1.5998751183912419
Energy: 1.7769912956878555
Energy: 1.5490038426833685
Energy: 1.8556249738847712
Energy: 1.5998751183929552
Energy: 1.7769912956917109
Energy: 1.6460720600926966
Energy: 1.9484625581645316
Energy: 1.6421481673578022
Energy: 1.948462558164103
Energy: 1.6460720600914116
Energy: 1.9484625581636748
Energy: 1.5643433024020716
Energy: 1.5607342114017877
Energy: 1.5714510409768223
Energy: 1.5607342113970757
Energy: 1.564343302405927
Energy: 1.560734211402216
Energy: 1.8213530680126855
Energy: 1.843497710513412
Energy: 1.821353068011829
Energy: 1.843497710514269
Energy: 1.8213530680126855
Energy: 1.843497710514269
Energy: 1.6559490859441723
Energy: 1.7463711133887343
Energy: 1.6536891632627972
Energy: 1.7463711133874495
Energy: 1.6559490859433155
Energy: 1.7463711133887343
Energy: 1.7995452109185912
Energy: 1.6805046854923995
Energy: 1.7995452109181627
Energy: 1.6805046854936847
Energy: 1.799545210917306
Energy: 1.6805046854941132
Energy: 1.8056576082382225
Energy: 1.7725727903661457
Energy: 1.8056576082382225
Energy: 1.7725727903695723
Energy: 1.8056576082382225
Energy: 1.7725727903687158
Energy: 1.4665064634336058
Energy: 1.8590197091569216
Energy: 1.4665064634344622
Energy: 1.8590197091809102
Energy: 1.466506463434034
Energy: 1.8590197091659173
Energy: 1.632395064634647
Energy: 1.613614633923202
Energy: 1.6323950646350756
Energy: 1.6136146339236301
Energy: 1.632395064635504
Energy: 1.6136146339240587
Energy: 1.7195167814457948
Energy: 1.7388796865882437
Energy: 1.7195167814475083
Energy: 1.738879686586102
Energy: 1.7195167814462229
Energy: 1.738879686586102
Energy: 1.4845377766606438
Energy: 1.8365596113219764
Energy: 1.484537776659787
Energy: 1.836559611322405
Energy: 1.4845377766593586
Energy: 1.8365596113228333
Energy: 1.7739214704814852
Energy: 1.7038318502835859
Energy: 1.7739214696302703
Energy: 1.7038318502960086
Energy: 1.7739214695934304
Energy: 1.7038318502887262
Energy: 1.7338155505296275
Energy: 1.5214525819352005
Energy: 1.7338155504765094
Energy: 1.521452581936914
Energy: 1.7338155505428683
Energy: 1.5214525819364857
Energy: 1.887785245361323
Energy: 1.7753545459816906
Energy: 1.8877779957622365
Energy: 1.7753545457680109
Energy: 1.8877852453604662
Energy: 1.7753545460763223
Energy: 1.8434338974810176
Energy: 1.8458368667752378
Energy: 1.8456083539359025
Energy: 1.8458368668266039
Energy: 1.8434338974805895
Energy: 1.845836866761102
Energy: 1.8474293157278092
Energy: 1.3625757781256305
Energy: 1.8474293157286663
Energy: 1.3625757781252021
Energy: 1.8474293157269528
Energy: 1.3625757781252021
Energy: 1.6362113109476648
Energy: 1.744288100647644
Energy: 1.636211310949378
Energy: 1.7442881008531845
Energy: 1.6362113109480931
Energy: 1.7442881005988093
Energy: 1.8874735867252432
Energy: 2.002975864867817
Energy: 1.8874735867260999
Energy: 2.002975864872529
Energy: 1.887473586724815
Energy: 2.0029758648729574
Energy: 1.6949924619553023
Energy: 1.348973293358313
Energy: 1.6949924547665527
Energy: 1.3489732933591698
Energy: 1.6949924543460857
Energy: 1.3489732933647387
Energy: 1.9099633315355027
Energy: 1.999774841821879
Energy: 1.9099633315350746
Energy: 1.9997748418223074
Energy: 1.909963331534646
Energy: 1.9997748418223074
Energy: 1.5215020474394765
Energy: 1.695555357960118
Energy: 1.5215020474386198
Energy: 1.6955553579622598
Energy: 1.5215020474403333
Energy: 1.695555357960118
Energy: 1.863342880381396
Energy: 1.2726646501047887
Energy: 1.8633428803954935
Energy: 1.2726646501030752
Energy: 1.8633428803864978
Energy: 1.2726646501043604
Energy: 1.6649259459700527
Energy: 1.8139122551025626
Energy: 1.6649259458514327
Energy: 1.8139122550832856
Energy: 1.6649259459434937
Energy: 1.8139122552156137
Energy: 1.7771540681670783
Energy: 1.7738864171386135
Energy: 1.7771540681610813
Energy: 1.773886417140327
Energy: 1.7771540681615094
Energy: 1.773886417139042
Energy: 1.7937686485064905
Energy: 1.5626374166626644
Energy: 1.7490266435519928
Energy: 1.5626374166502415
Energy: 1.793768648508204
Energy: 1.5626374166613792
Energy: 1.8411827832860868
Energy: 1.7169376868114419
Energy: 1.8311021710841187
Energy: 1.7169376868782293
Energy: 1.84118278328523
Energy: 1.716937686820438
Energy: 1.5913382015918094
Energy: 1.82036486439687
Energy: 1.61137703559681
Energy: 1.820364864396013
Energy: 1.5913382015896675
Energy: 1.820364864397259
Energy: 1.7847476127270387
Energy: 1.8291471740856704
Energy: 1.7886359303413821
Energy: 1.8291471740843854
Energy: 1.7847476127266102
Energy: 1.829147174083957
Energy: 1.687169463639556
Energy: 1.5885075342111503
Energy: 1.6871694636399845
Energy: 1.58850753420858
Energy: 1.6871694636386996
Energy: 1.5885075342162909
Energy: 1.5487432497511897
Energy: 1.9921319190129994
Energy: 1.548743249761042
Energy: 1.9921319190129994
Energy: 1.5487432497559015
Energy: 1.9921319190129994
Energy: 1.846158890898802
Energy: 1.9154060553273633
Energy: 1.846158890899659
Energy: 1.9154060553282204
Energy: 1.8461588908983737
Energy: 1.9154060553286487
Energy: 1.7930328784207394
Energy: 1.5865801593780988
Energy: 1.7930328784215959
Energy: 1.5865801593785271
Energy: 1.7930328784190255
Energy: 1.5865801593789555
Energy: 1.5734834936585662
Energy: 1.731064452414094
Energy: 1.5734834936585662
Energy: 1.7310644523909617
Energy: 1.5734834936581377
Energy: 1.7310644524080965
Energy: 1.7887396802545215
Energy: 1.8730410983146057
Energy: 1.7887396802480962
Energy: 1.8730410983158907
Energy: 1.7887396802540934
Energy: 1.8730410983154622
Energy: 1.577919931436774
Energy: 1.5857042696034376
Energy: 1.5779199314359174
Energy: 1.5857042696047225
Energy: 1.5779199314346322
Energy: 1.585704269603866
Energy: 1.6154071626231978
Energy: 1.7489721113256433
Energy: 1.6154071626227697
Energy: 1.7489721112408647
Energy: 1.615407162621056
Energy: 1.7489721112451484
Energy: 1.6509650783566145
Energy: 1.696235624144183
Energy: 1.650965078356186
Energy: 1.6962356241506085
Energy: 1.6509650783566145
Energy: 1.6962356241416128
Energy: 1.6891218980061102
Energy: 1.6617214787493444
Energy: 1.6891218980065386
Energy: 1.6617214787519148
Energy: 1.6891218980061102
Energy: 1.6617214787506294
Energy: 1.5490038426833685
Energy: 1.8963445943492847
Energy: 1.5490038426846537
Energy: 1.896344594349713
Energy: 1.549003842683797
Energy: 1.8963445943479997
Energy: 1.6484673662837517
Energy: 1.7813692907539274
Energy: 1.6484793062423897
Energy: 1.781369290824998
Energy: 1.6484673662820382
Energy: 1.7813692907569258
Energy: 1.5749148795875145
Energy: 1.5690709523641946
Energy: 1.5749431290419291
Energy: 1.5690709523714772
Energy: 1.5749148795866579
Energy: 1.5690709523637663
Energy: 1.8213530680054033
Energy: 1.8586682878505587
Energy: 1.8213530680041183
Energy: 1.858668287848417
Energy: 1.8213530680058316
Energy: 1.8586682878479885

minimum gb energy = 1.2726646501030752 eV
minimum distance =  2.28972704148002 Angstroms
sigma value = 57


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

Energy: 1.5687613510700684
Energy: 1.5064536984927612
Energy: 1.5687613510644887
Energy: 1.5064536984913663
Energy: 1.5687613510700684
Energy: 1.5064536984913663
Energy: 1.6814489510457884
Energy: 1.6006415289183653
Energy: 1.681448951042301
Energy: 1.6006415289211553
Energy: 1.681448951046486
Energy: 1.6006415289176679
Energy: 1.5735438446429273
Energy: 1.7320525287489354
Energy: 1.5569242051550085
Energy: 1.732052528749633
Energy: 1.5735438446638519
Energy: 1.7320525287503306
Energy: 1.5777829184590813
Energy: 1.393866890213174
Energy: 1.5777829184583836
Energy: 1.393866890213174
Energy: 1.5777829184590813
Energy: 1.393866890213174
Energy: 1.6824973216734969
Energy: 1.4929126215215283
Energy: 1.6824973216734969
Energy: 1.4929126215159483
Energy: 1.6824973216734969
Energy: 1.4929126215180408
Energy: 1.2275067404640803
Energy: 1.8678545353123963
Energy: 1.2275067404626852
Energy: 1.8678545353130938
Energy: 1.2275067404633828
Energy: 1.8678545353172789
Energy: 1.6670413865304794
Energy: 1.5234724051203299
Energy: 1.667041386529782
Energy: 1.5234724051224224
Energy: 1.667041386529782
Energy: 1.5234724051238175
Energy: 1.8154550490090835
Energy: 1.897735782112589
Energy: 1.815455049009781
Energy: 1.8977357821132865
Energy: 1.815455049009781
Energy: 1.897735782112589
Energy: 1.352079016168696
Energy: 1.7008983766818022
Energy: 1.3520790161679983
Energy: 1.700898376683197
Energy: 1.3520790161673009
Energy: 1.7008983766818022
Energy: 1.5653289091696718
Energy: 1.6529675135318762
Energy: 1.565328943470393
Energy: 1.6529675135318762
Energy: 1.5653289091110825
Energy: 1.6529675135318762
Energy: 1.6798027663491497
Energy: 1.7738169211485202
Energy: 1.6798027663345025
Energy: 1.7738169211554946
Energy: 1.6798027663386876
Energy: 1.7738169211617723
Energy: 1.3014981794632583
Energy: 1.5756656584663244
Energy: 1.3014981794611657
Energy: 1.5756656584502822
Energy: 1.3014981794604683
Energy: 1.5756656584307525
Energy: 1.5941908388245891
Energy: 1.6214275262913593
Energy: 1.5941908389898314
Energy: 1.6214275262913593
Energy: 1.5941908388636488
Energy: 1.6214275262920568
Energy: 1.5915006458518488
Energy: 1.6089789997332224
Energy: 1.5915006458518488
Energy: 1.608978999729735
Energy: 1.5915006458504537
Energy: 1.60897899973113
Energy: 1.345719659404268
Energy: 1.7108755285939485
Energy: 1.3457196594021756
Energy: 1.710875528591856
Energy: 1.345719659404268
Energy: 1.7108755285932509
Energy: 1.6446155566873684
Energy: 1.5967418339029622
Energy: 1.6446155556743558
Energy: 1.5967418339162143
Energy: 1.6446155574354608
Energy: 1.5967418339036596
Energy: 1.694324923829971
Energy: 1.3845438176418994
Energy: 1.694324923828576
Energy: 1.3845438226560471
Energy: 1.694324923820206
Energy: 1.3845438184241057
Energy: 1.503811111232404
Energy: 1.6299927679583832
Energy: 1.5038111112317063
Energy: 1.6299927679604758
Energy: 1.5038111112331014
Energy: 1.6299927679562907
Energy: 1.685793944378028
Energy: 1.8019214555967014
Energy: 1.6857939443794232
Energy: 1.8019214555946088
Energy: 1.6857939443759355
Energy: 1.8019214555953063
Energy: 1.6404472638365968
Energy: 1.08475262745527
Energy: 1.6404472638372942
Energy: 1.0847526274999095
Energy: 1.6404472638428107
Energy: 1.084752627241964
Energy: 1.54811340973471
Energy: 1.4475568038721356
Energy: 1.5481134097354075
Energy: 1.4475568038546982
Energy: 1.54811340973471
Energy: 1.4475568038728333
Energy: 1.6005959325718215
Energy: 1.7916021424128992
Energy: 1.600595932571124
Energy: 1.7916021424366142
Energy: 1.600595932571124
Energy: 1.791602142432429
Energy: 1.6527619252326808
Energy: 1.1706433732794115
Energy: 1.6527619252326808
Energy: 1.1706433732794115
Energy: 1.6527619252480257
Energy: 1.1706433732808064
Energy: 1.556472382897592
Energy: 1.6085297720775185
Energy: 1.5564723828982894
Energy: 1.6085297720761234
Energy: 1.5564723828982894
Energy: 1.6085297720796108
Energy: 1.6484979253566803
Energy: 1.5231476124528631
Energy: 1.6484979253573777
Energy: 1.5231476121140084
Energy: 1.6484979253566803
Energy: 1.5231476124912253
Energy: 1.5333397319638593
Energy: 1.2144751145496369
Energy: 1.5333397319540942
Energy: 1.2144751145496369
Energy: 1.5333397319659516
Energy: 1.2144751145503345
Energy: 1.5995017962967082
Energy: 1.909515176759098
Energy: 1.5995017962960105
Energy: 1.9095151767367782
Energy: 1.5995017962939184
Energy: 1.9095151767813545

minimum gb energy = 1.084752627241964 eV
minimum distance =  2.30506381739692 Angstroms
sigma value = 43


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

Energy: 1.4461536648343976
Energy: 1.3151617026962747
Energy: 1.4461536648455777
Energy: 1.3151617027069469
Energy: 1.4461536648232172
Energy: 1.3151617026962747
Energy: 1.4297082462212491
Energy: 1.5069622193935812
Energy: 1.4297082462227737
Energy: 1.5069622193935812
Energy: 1.4297082462212491
Energy: 1.5069622193966303
Energy: 1.3311836399349113
Energy: 1.5714698973791363
Energy: 1.331183639933387
Energy: 1.5714699013189495
Energy: 1.331183639933387
Energy: 1.5714698986068918
Energy: 1.3989704639000324
Energy: 1.1970759444918369
Energy: 1.3989704639147702
Energy: 1.1970759444928534
Energy: 1.3989704639132456
Energy: 1.1970759444908208
Energy: 1.4671462606533163
Energy: 1.3775405881693172
Energy: 1.467146260639595
Energy: 1.3775405881718583
Energy: 1.4671462606390868
Energy: 1.3775405881540714
Energy: 1.215066346270372
Energy: 1.6597505882721393
Energy: 1.215066346267831
Energy: 1.6597505882629917
Energy: 1.215066346267831
Energy: 1.6597505882706145
Energy: 1.4387215097867343
Energy: 1.3313506235282433
Energy: 1.4387215080057838
Energy: 1.3313506235282433
Energy: 1.4387215100564477
Energy: 1.3313506235287516
Energy: 1.5480028946109243
Energy: 1.498076058934499
Energy: 1.5480028946409077
Energy: 1.4980760589334825
Energy: 1.5480028946053341
Energy: 1.498076058934499
Energy: 1.1118913929902166
Energy: 1.6078976275300894
Energy: 1.1118913929907246
Energy: 1.6078976275300894
Energy: 1.1118913929892003
Energy: 1.6078976275311057
Energy: 1.370539854574829
Energy: 1.29012054969408
Energy: 1.3705398545285832
Energy: 1.2901205496930637
Energy: 1.3705398545799112
Energy: 1.290120549730624
Energy: 1.597649173072344
Energy: 1.6070858202529195
Energy: 1.597649173072344
Energy: 1.6070858202524112
Energy: 1.5976491730718358
Energy: 1.6070858202524112
Energy: 1.2794711058036103
Energy: 1.4616608153674426
Energy: 1.2794711058036103
Energy: 1.461660815355246
Energy: 1.2794711058036103
Energy: 1.4616608153704918
Energy: 1.4491583059677038
Energy: 1.4141369148982015
Energy: 1.4491583059799005
Energy: 1.41413691489871
Energy: 1.4491583059778677
Energy: 1.4141369148982015
Energy: 1.483125288173276
Energy: 1.516008261843462
Energy: 1.4831252881966528
Energy: 1.5160082618439703
Energy: 1.483125288186489
Energy: 1.5160082618383801
Energy: 1.2685366949016734
Energy: 1.4412157021088303
Energy: 1.2685366949011654
Energy: 1.4412157021113712
Energy: 1.2685366949016734
Energy: 1.441215702105781
Energy: 1.7110201324760432
Energy: 1.3601477626220133
Energy: 1.7110199788343152
Energy: 1.3601477626215053
Energy: 1.711020156028623
Energy: 1.3601477626215053
Energy: 1.443257821162417
Energy: 1.3976288350381405
Energy: 1.4432578211634335
Energy: 1.397628835037124
Energy: 1.4432578211629252
Energy: 1.397628835037124
Energy: 1.1619903010394208
Energy: 1.4581578573665122
Energy: 1.161990301039929
Energy: 1.4581578573675285
Energy: 1.1619903010378962
Energy: 1.458157857366004
Energy: 1.6066160920493369
Energy: 1.3610061647040814
Energy: 1.6066160922977526
Energy: 1.3610061647030651
Energy: 1.6066160921422905
Energy: 1.361006164706114
Energy: 1.5100103359072865
Energy: 1.5017448143866194
Energy: 1.5100103359133847
Energy: 1.5017448150149806
Energy: 1.510010335930109
Energy: 1.5017448144892287
Energy: 1.2343029086635868
Energy: 1.4724878630815186
Energy: 1.2343029086630788
Energy: 1.4724878631028167
Energy: 1.2343029086625703
Energy: 1.472487863085584
Energy: 1.594976082540808
Energy: 1.482800572510698
Energy: 1.594976082540808
Energy: 1.4828005725101898
Energy: 1.594976082540808
Energy: 1.4828005725112063
Energy: 1.5515804434163956
Energy: 1.209420063942511
Energy: 1.551580443008499
Energy: 1.2094200629920921
Energy: 1.5515804393185793
Energy: 1.2094200703449505
Energy: 1.3349402209464447
Energy: 1.4081968688865198
Energy: 1.3349402209439036
Energy: 1.4081968688834705
Energy: 1.334940220944412
Energy: 1.4081968688844868
Energy: 1.5519023997955923
Energy: 1.5421745590486937
Energy: 1.5519023998001662
Energy: 1.5421745638215791
Energy: 1.551902399797625
Energy: 1.5421745581241926
Energy: 1.4668878997635773
Energy: 1.1188976200311485
Energy: 1.4668878997478232
Energy: 1.1188976200280993
Energy: 1.4668878997468067
Energy: 1.1188976200291156
Energy: 1.197696620336239
Energy: 1.309065819262326
Energy: 1.1976966203372552
Energy: 1.3090658192618176
Energy: 1.1976966203367472
Energy: 1.309065819262326
Energy: 1.5022399824506967
Energy: 1.379269637476151
Energy: 1.5022399824501884
Energy: 1.3792696374898723
Energy: 1.5022399824496802
Energy: 1.3792696374878395
Energy: 1.5817031537569932
Energy: 1.052911899491123
Energy: 1.5817031537549604
Energy: 1.0529118994768936
Energy: 1.5817031537549604
Energy: 1.052911899493156
Energy: 1.2834655871547898
Energy: 1.3197982657879317
Energy: 1.2834655871517406
Energy: 1.3197982657874237
Energy: 1.2834655871542815
Energy: 1.3197982657838665
Energy: 1.4632657887004943
Energy: 1.4628509121953779
Energy: 1.463265788699986
Energy: 1.4628509125671925
Energy: 1.4632657886989697
Energy: 1.4628509118545168
Energy: 1.6487232369424027
Energy: 1.0713949945172832
Energy: 1.6487232369444351
Energy: 1.0713949945132177
Energy: 1.6487232369444351
Energy: 1.0713949945172832
Energy: 1.441844285960517
Energy: 1.4166643399903909
Energy: 1.4418442859554352
Energy: 1.416664339990899
Energy: 1.4418442859777494
Energy: 1.4166643399893744
Energy: 1.5184959211521407
Energy: 1.3521033325181817
Energy: 1.5184959211541738
Energy: 1.352103332471936
Energy: 1.5184959211546818
Energy: 1.3521033324810836
Energy: 1.448974400444362
Energy: 1.064713095243836
Energy: 1.448974813416207
Energy: 1.0647130948562207
Energy: 1.4489748514083476
Energy: 1.0647130953621993
Energy: 1.4596156801656628
Energy: 1.4542658766995418
Energy: 1.4596156801656628
Energy: 1.454265876341402
Energy: 1.459615680166171
Energy: 1.4542658770642418

minimum gb energy = 1.0529118994768936 eV
minimum distance =  2.26313193222365 Angstroms
sigma value = 81


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

Energy: 0.3682648409834562
Energy: 1.3379856974119204
Energy: 0.08102068435588042
Energy: 1.3379856974156548
Energy: 0.3682648409834562
Energy: 1.3379856974156548
Energy: 0.7815634542696412
Energy: 0.638324246733592
Energy: 0.7815634542696412
Energy: 0.638324246733592
Energy: 0.7815634542696412
Energy: 0.638324246733592
Energy: 0.8593235020459022
Energy: 0.6382321071568288
Energy: 0.8593235020459022
Energy: 0.6382321071568288
Energy: 0.8593235020459022
Energy: 0.6382321071549615
Energy: 0.08102068435588042
Energy: 1.3379856974156548
Energy: 0.08102068435588042
Energy: 1.3379856974156548
Energy: 0.08102068435588042
Energy: 1.3379856974156548
Energy: 0.7815634542696412
Energy: 0.638324246733592
Energy: 0.781563454267774
Energy: 0.6383242467317247
Energy: 0.7815634542696412
Energy: 0.638324246733592
Energy: 0.8593235020459022
Energy: 0.6382321071568288
Energy: 0.8593235020459022
Energy: 0.6382321071568288
Energy: 0.8593235020459022
Energy: 0.6382321071568288
Energy: 0.3682648409834562
Energy: 1.3379856974137874
Energy: 0.08102068435588042
Energy: 1.3379856974137874
Energy: 0.3682648409834562
Energy: 1.3379856974156548
Energy: 0.7815634542696412
Energy: 0.6383242467317247
Energy: 0.7815634542696412
Energy: 0.638324246733592
Energy: 0.7815634542696412
Energy: 0.638324246733592
Energy: 0.8593235020459022
Energy: 0.6382321071568288
Energy: 0.8593235020459022
Energy: 0.6382321071568288
Energy: 0.8593235020459022
Energy: 0.6382321071568288
Energy: 0.08102068435588042
Energy: 1.3379856974156548
Energy: 0.08102068435401319
Energy: 1.3379856974137874
Energy: 0.08102068435401319
Energy: 1.3379856974137874

minimum gb energy = 0.08102068435401319 eV
minimum distance =  2.31225621133662 Angstroms
sigma value = 3


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

Energy: 1.5865353834922844
Energy: 1.323522737507494
Energy: 1.586535395273838
Energy: 1.3235227375052592
Energy: 1.5865353886229503
Energy: 1.3235227375047
Energy: 1.4922313375223153
Energy: 1.5614945125891615
Energy: 1.4922313375217566
Energy: 1.5614945126259898
Energy: 1.4922313375228742
Energy: 1.56149451260308
Energy: 1.347684063421647
Energy: 1.4569808251609553
Energy: 1.298976715459623
Energy: 1.456980825183306
Energy: 1.2989767154585057
Energy: 1.4569808251615137
Energy: 1.5596794640261071
Energy: 1.3102108031473407
Energy: 1.559679464026666
Energy: 1.3102108189497326
Energy: 1.5596794640255485
Energy: 1.3102108096262273
Energy: 1.3519493940421563
Energy: 1.573311746617955
Energy: 1.351949394042715
Energy: 1.5733117466241016
Energy: 1.351949394042715
Energy: 1.5733117466112496
Energy: 1.2960713871888
Energy: 1.3387263257185682
Energy: 1.296071387187124
Energy: 1.3387263257107453
Energy: 1.296071387189359
Energy: 1.338726325714098
Energy: 1.4757160420910684
Energy: 1.3267769208306643
Energy: 1.4757160421826565
Energy: 1.3267769195901855
Energy: 1.4757160421943907
Energy: 1.326776920976454
Energy: 1.1919488409567724
Energy: 1.892819801725041
Energy: 1.1919488409567724
Energy: 1.8928198017256002
Energy: 1.1919488409567724
Energy: 1.8928198017256002
Energy: 1.4566877470369002
Energy: 1.339450996684669
Energy: 1.4566877470357824
Energy: 1.3394509966880217
Energy: 1.4566877470357824
Energy: 1.339450996684669
Energy: 1.7519925198293986
Energy: 1.149328241853227
Energy: 1.751992519829957
Energy: 1.1493282418588147
Energy: 1.751992519829957
Energy: 1.1493282418560207
Energy: 1.320403056326569
Energy: 1.8926261437282323
Energy: 1.320403056326569
Energy: 1.8926261437153802
Energy: 1.320403056326569
Energy: 1.8926261437271148
Energy: 1.3108559542645406
Energy: 1.4447137126020677
Energy: 1.3108559542673346
Energy: 1.4447137126015086
Energy: 1.3108559542645406
Energy: 1.4447137126020677
Energy: 1.897065109757449
Energy: 1.173768326178877
Energy: 1.897065109779241
Energy: 1.1737683261794358
Energy: 1.8970651097730944
Energy: 1.1737683261794358
Energy: 1.2869108000242326
Energy: 1.5278972873018466
Energy: 1.286910800028652
Energy: 1.5278972872923475
Energy: 1.2869108000236738
Energy: 1.5278972872990528
Energy: 1.3238807138007105
Energy: 1.383423722135621
Energy: 1.323880713801828
Energy: 1.3834237221450694
Energy: 1.3238807138001516
Energy: 1.3834237221317096
Energy: 1.6743345749693745
Energy: 1.1447355982798633
Energy: 1.6743345625359858
Energy: 1.1447355982793044
Energy: 1.674334585757275
Energy: 1.1447355982798633
Energy: 1.2880349181666506
Energy: 1.5385186390575545
Energy: 1.2880349181666506
Energy: 1.538518639063701
Energy: 1.288034918165533
Energy: 1.538518639055878
Energy: 1.452803771142181
Energy: 1.5116114397122216
Energy: 1.4528037711432986
Energy: 1.511611439708869
Energy: 1.4528037711472102
Energy: 1.5116114397055163
Energy: 1.546703845288629
Energy: 1.1718469229124788
Energy: 1.546703845288629
Energy: 1.1718469229130377
Energy: 1.5467038452891877
Energy: 1.1718469229124788
Energy: 1.3206457758328058
Energy: 1.7052517256777722
Energy: 1.3206457758339234
Energy: 1.7052517256749784
Energy: 1.3206457758328058
Energy: 1.705251725673302
Energy: 1.633019417274941
Energy: 1.4569535824097382
Energy: 1.6330194172805288
Energy: 1.4569535824102973
Energy: 1.6330194172810877
Energy: 1.4569535824091797
Energy: 1.6580275157704294
Energy: 1.2397936740507485
Energy: 1.6580275157698703
Energy: 1.2397936705912243
Energy: 1.6580275157704294
Energy: 1.2397936697925325
Energy: 1.2723110832228508
Energy: 1.5359347975222293
Energy: 1.2723110832234095
Energy: 1.5359347975216704
Energy: 1.2723110832234095
Energy: 1.5359347975216704
Energy: 1.6773650800132365
Energy: 1.4641093157083447
Energy: 1.6773650800126778
Energy: 1.4641093157044331
Energy: 1.6773650800137951
Energy: 1.4641093157089036
Energy: 1.4565319846230502
Energy: 1.303162641197271
Energy: 1.456531984621374
Energy: 1.3031626411944768
Energy: 1.456531984621374
Energy: 1.3031626411950359
Energy: 1.1648586683823574
Energy: 1.4237458784402175
Energy: 1.164858668383475
Energy: 1.4237458808826708
Energy: 1.1648586683823574
Energy: 1.4237458743831095
Energy: 1.6297880086438752
Energy: 1.3613329832490648
Energy: 1.6297880086489043
Energy: 1.3613329832490648
Energy: 1.6297880086494632
Energy: 1.3613329832496235
Energy: 1.385339600633607
Energy: 1.436442446110889
Energy: 1.385339600633048
Energy: 1.4364424461153589
Energy: 1.385339600633048
Energy: 1.436442446113124
Energy: 1.059275958224571
Energy: 1.7816462195497382
Energy: 1.059275958224571
Energy: 1.7816462195508558
Energy: 1.0592759582256885
Energy: 1.7816462195486205
Energy: 1.6218132576255706
Energy: 1.4169914944511053
Energy: 1.6218132576261295
Energy: 1.4169914944270776
Energy: 1.6218132576255706
Energy: 1.416991494451664
Energy: 1.4340245890256071
Energy: 1.4590082964000215
Energy: 1.4340245890278422
Energy: 1.4590082964000215
Energy: 1.4340245890233718
Energy: 1.4590082963994626
Energy: 1.2018949544100703
Energy: 1.8914024515582515
Energy: 1.2018949544095117
Energy: 1.8914024515593693
Energy: 1.2018949544095117
Energy: 1.8914024515588101
Energy: 1.4376999288217522
Energy: 1.4039684362467169
Energy: 1.4376999288234287
Energy: 1.4039684362422467
Energy: 1.4376999288228698
Energy: 1.4039684362478346

minimum gb energy = 1.059275958224571 eV
minimum distance =  2.2513851959142 Angstroms
sigma value = 67


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

Energy: 1.939091730929371
Energy: 1.3866364747218503
Energy: 1.9390917310527078
Energy: 1.3866364747218503
Energy: 1.9390917308729134
Energy: 1.3866364747218503
Energy: 1.8454039844143306
Energy: 1.7793859332365243
Energy: 1.8454039844151267
Energy: 1.7793859332373203
Energy: 1.8454039844151267
Energy: 1.7793859332365243
Energy: 1.5592151792611935
Energy: 1.5282924464021332
Energy: 1.5592151792603972
Energy: 1.528292446399745
Energy: 1.5592151792619897
Energy: 1.5282924464029295
Energy: 1.901609483322746
Energy: 1.3483162281810033
Energy: 1.9016094833195611
Energy: 1.3483162281810033
Energy: 1.901609483327523
Energy: 1.3483162281817993
Energy: 1.3827905223424033
Energy: 2.0279129790420622
Energy: 1.3827905223424033
Energy: 2.0279129790420622
Energy: 1.3827905223424033
Energy: 2.027912979042859
Energy: 1.4165851209662306
Energy: 1.5210731642961326
Energy: 1.4165851209733964
Energy: 1.5210731643756792
Energy: 1.416585120984543
Energy: 1.5210731643016333
Energy: 1.9952487891722177
Energy: 1.4646966741753609
Energy: 1.9952487891746062
Energy: 1.464696674176157
Energy: 1.9952487891738104
Energy: 1.4646966741753609
Energy: 1.5630970622088591
Energy: 1.9925716753410736
Energy: 1.5630970622088591
Energy: 1.9925716753386848
Energy: 1.5630970622088591
Energy: 1.9925716753402776
Energy: 1.480157106235602
Energy: 1.7079959671327751
Energy: 1.480157106234806
Energy: 1.7079959671327751
Energy: 1.480157106234806
Energy: 1.7079959671327751
Energy: 1.8899540927392018
Energy: 1.3632165590973413
Energy: 1.889954092739998
Energy: 1.3632165590965453
Energy: 1.889954092739998
Energy: 1.3632165590965453
Energy: 1.4983866040970704
Energy: 1.7874453893699478
Energy: 1.4983866040978666
Energy: 1.787445389370744
Energy: 1.4983866040970704
Energy: 1.787445389370744
Energy: 1.5971311415651241
Energy: 1.6380787981478713
Energy: 1.5971311415667167
Energy: 1.6380787981478713
Energy: 1.5971311415651241
Energy: 1.6380787981478713
Energy: 1.5378317224749054
Energy: 1.309578457905548
Energy: 1.5378317224717204
Energy: 1.3095784579063443
Energy: 1.5378317224764975
Energy: 1.309578457905548
Energy: 1.4956219949894876
Energy: 1.779851168221014
Energy: 1.495621994859781
Energy: 1.779851168220218
Energy: 1.49562199504124
Energy: 1.779851168221014
Energy: 1.674999269442304
Energy: 1.647028667592964
Energy: 1.674999269430361
Energy: 1.6470286674919201
Energy: 1.6749992694375264
Energy: 1.6470286675873906
Energy: 1.5519811099945982
Energy: 1.389761008250413
Energy: 1.5519811102110896
Energy: 1.3897610082496168
Energy: 1.5519811100407772
Energy: 1.3897610082496168
Energy: 1.4141182028163797
Energy: 1.7019545977927302
Energy: 1.414118202817176
Energy: 1.7019545977975075
Energy: 1.414118202817176
Energy: 1.7019545977919341
Energy: 1.7351978867383118
Energy: 1.579583180967024
Energy: 1.7351978867271647
Energy: 1.5795831809662277
Energy: 1.7351978867359228
Energy: 1.5795831809678202
Energy: 1.57148004202731
Energy: 1.4233127673359316
Energy: 1.5714800420265138
Energy: 1.423312767380446
Energy: 1.5714800420265138
Energy: 1.4233127673279697
Energy: 1.4017488381017318
Energy: 1.9560589352569344
Energy: 1.4017488381017318
Energy: 1.9560589352027937
Energy: 1.4017488381009353
Energy: 1.9560589352473803
Energy: 1.969100688474054
Energy: 1.4311801741742647
Energy: 1.969100688473258
Energy: 1.4311801741734684
Energy: 1.969100688473258
Energy: 1.4311801741758572
Energy: 1.9460712227605095
Energy: 1.5242031256393014
Energy: 1.946071222753344
Energy: 1.5242031256432824
Energy: 1.946071222762102
Energy: 1.5242031256400974
Energy: 1.3906192887434194
Energy: 1.9999011045552488
Energy: 1.3906192887951718
Energy: 1.9999011045536566
Energy: 1.3906192887569548
Energy: 1.9999011045417137

minimum gb energy = 1.309578457905548 eV
minimum distance =  2.2754972480032 Angstroms
sigma value = 33


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

Energy: 1.9197283636274294
Energy: 1.4852361078525385
Energy: 1.9197283628963835
Energy: 1.4852361078495078
Energy: 1.9197283701437056
Energy: 1.4852361078515282
Energy: 1.705687902420519
Energy: 1.812805282765689
Energy: 1.705687902420519
Energy: 1.812805282765689
Energy: 1.705687902420519
Energy: 1.812805282765689
Energy: 1.657609387022979
Energy: 1.6982669023962973
Energy: 1.6576093870249997
Energy: 1.6982669024195312
Energy: 1.6576093870244941
Energy: 1.6982669024144808
Energy: 1.9519879817837857
Energy: 1.4703806832990265
Energy: 1.9519879817847963
Energy: 1.4703806832990265
Energy: 1.951987981784291
Energy: 1.4703806832990265
Energy: 1.6555018187515003
Energy: 1.952187295723735
Energy: 1.6555018187630717
Energy: 1.9521872943045757
Energy: 1.655501818761097
Energy: 1.9521872908533107
Energy: 1.6731848838860823
Energy: 1.9167560366537564
Energy: 1.6731848833352614
Energy: 1.8423977164697825
Energy: 1.6731848809457366
Energy: 1.8423977164697825
Energy: 2.304387889872739
Energy: 1.7766219018498768
Energy: 2.3043878898712236
Energy: 1.7766219018483616
Energy: 2.304387889873244
Energy: 1.7766219018488667
Energy: 1.5000299331809077
Energy: 1.8614607860351022
Energy: 1.5000299331814126
Energy: 1.8614607860351022
Energy: 1.5000299331819178
Energy: 1.8614607860351022
Energy: 1.5665624892507442
Energy: 1.962376873233064
Energy: 1.5665624892507442
Energy: 1.9623768732300333
Energy: 1.5665624892512493
Energy: 1.9623768732290232
Energy: 1.8522511250610552
Energy: 1.536269436244182
Energy: 1.8522485388513599
Energy: 1.5362694362446871
Energy: 1.8523196153430663
Energy: 1.536269436244182
Energy: 1.6362982610367265
Energy: 1.8742768256646094
Energy: 1.6362982610357164
Energy: 1.8742768256646094
Energy: 1.6362982610377368
Energy: 1.8742768256646094
Energy: 1.7383042815410823
Energy: 1.7710292404125183
Energy: 1.738304281548154
Energy: 1.7710292404125183
Energy: 1.7383042815375471
Energy: 1.7710292404125183
Energy: 1.8875573763221936
Energy: 1.569585114205775
Energy: 1.887557376322699
Energy: 1.5695851136963714
Energy: 1.887557376322699
Energy: 1.5695851136706116
Energy: 1.4748412607462602
Energy: 1.8040641538542204
Energy: 1.4748412607548005
Energy: 1.8040641538562405
Energy: 1.4748412607608616
Energy: 1.8040641538547255
Energy: 1.8473363205648858
Energy: 1.714098403935035
Energy: 1.847336320582059
Energy: 1.714098403935035
Energy: 1.847336320577513
Energy: 1.714098403935035
Energy: 1.8820596038998008
Energy: 1.5377721388866619
Energy: 1.8820596038992958
Energy: 1.537772138886157
Energy: 1.882059603900306
Energy: 1.5377721388866619
Energy: 1.6463649410688017
Energy: 1.9760035024555804
Energy: 1.6463649410682963
Energy: 1.9760035024560858
Energy: 1.6463649410682963
Energy: 1.9760035024560858
Energy: 1.9397749919210734
Energy: 1.595955816829334
Energy: 1.9397749919225886
Energy: 1.5959558156888454
Energy: 1.9397749919205685
Energy: 1.595955815354615
Energy: 2.1704094351749954
Energy: 1.6669942582661588
Energy: 2.170409435727332
Energy: 1.666994258301515
Energy: 2.1704094343470186
Energy: 1.6669942582838368
Energy: 1.6979714559069812
Energy: 2.1822450658244583
Energy: 1.6979714559054657
Energy: 2.1822450658244583
Energy: 1.697971455906476
Energy: 2.182245065825974
Energy: 1.7493490452841005
Energy: 1.50676824668973
Energy: 1.7493490452825853
Energy: 1.5067682466907402
Energy: 1.7493490452835954
Energy: 1.506768246701347
Energy: 1.9188596135051361
Energy: 1.576545734983452
Energy: 1.9188596135081664
Energy: 1.576545734983452
Energy: 1.9188596135036209
Energy: 1.5765457349839573
Energy: 1.5196319178353341
Energy: 1.9597838271782977
Energy: 1.5196319178353341
Energy: 1.9597838271777925
Energy: 1.519631917834829
Energy: 1.9597838271782977
Energy: 1.9687928507321388
Energy: 1.6730253458037943
Energy: 1.9687928507487609
Energy: 1.6730253458037943
Energy: 1.968792850731634
Energy: 1.6730253458037943
Energy: 1.8051651996874174
Energy: 1.9963559289781085
Energy: 1.8051651997460076
Energy: 1.9963559289781085
Energy: 1.8051651996864533
Energy: 1.9963559289776036
Energy: 1.3564003969042222
Energy: 1.7724033525212868
Energy: 1.3564003969052323
Energy: 1.7724033525217917
Energy: 1.3564003969052323
Energy: 1.7724033525212868
Energy: 1.7731691425301925
Energy: 1.7203734089870533
Energy: 1.7731691424453377
Energy: 1.7203734089875582
Energy: 1.773169142525142
Energy: 1.7203734089850329
Energy: 1.7029342725039947
Energy: 1.7379326927023113
Energy: 1.7029342909138496
Energy: 1.7195316935846305
Energy: 1.7029342732638304
Energy: 1.8130447595293255
Energy: 1.6916594216758862
Energy: 2.04852446690444
Energy: 1.6916594216774012
Energy: 2.04852446690444
Energy: 1.6916594216774012
Energy: 2.0485244669206026
Energy: 2.2805276999214574
Energy: 1.5267909050056832
Energy: 2.280527699921963
Energy: 1.526790905005178
Energy: 2.2805276999214574
Energy: 1.5267909050066932
Energy: 1.8397950267150742
Energy: 1.6031566718310064
Energy: 1.8397950267150742
Energy: 1.6031566718305013
Energy: 1.8397950267150742
Energy: 1.6031566718305013
Energy: 1.4399922800617218
Energy: 1.9386063372833817
Energy: 1.4399922800622267
Energy: 1.9386063372354445
Energy: 1.4399922800617218
Energy: 1.9386063372687343
Energy: 1.9337967234869438
Energy: 1.5575383179019477
Energy: 1.9337967234859335
Energy: 1.5575383179019477
Energy: 1.933796723484418
Energy: 1.5575383179009377
Energy: 1.8160704150127582
Energy: 1.5914079455833143
Energy: 1.8160704150122535
Energy: 1.5914079455838195
Energy: 1.8160704150122535
Energy: 1.5914079455833143
Energy: 1.5032458763116066
Energy: 1.5776121087216972
Energy: 1.5032458763105963
Energy: 1.577612108721192
Energy: 1.5032458763065557
Energy: 1.5776121087216972
Energy: 1.9679496548979571
Energy: 1.4866770595557675
Energy: 1.9679496553634186
Energy: 1.4866770595557675
Energy: 1.9679496559838963
Energy: 1.4866770595557675
Energy: 1.7102837389440868
Energy: 1.820749999760048
Energy: 1.7102837389425711
Energy: 1.8207499938935445
Energy: 1.7102837389440868
Energy: 1.820749999884254

minimum gb energy = 1.3564003969042222 eV
minimum distance =  2.25604163438582 Angstroms
sigma value = 41


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

Energy: 2.0182894884491636
Energy: 1.507523553921669
Energy: 2.0182894884436475
Energy: 1.507523553921669
Energy: 2.018289488428478
Energy: 1.507523553921669
Energy: 2.104523209634069
Energy: 1.8941810291201588
Energy: 2.104523209634069
Energy: 1.8941810291270542
Energy: 2.104523209634069
Energy: 1.894181029116022
Energy: 1.91199477916937
Energy: 1.8139732177578598
Energy: 1.8032879555581383
Energy: 1.8139732177578598
Energy: 1.803287955585719
Energy: 1.8139732177578598
Energy: 2.4523235158559906
Energy: 2.0532400467091123
Energy: 2.4523235158559906
Energy: 2.0532400467091123
Energy: 2.4523235158559906
Energy: 2.0532400467091123
Energy: 1.718495837655287
Energy: 2.2981078896982132
Energy: 1.7184958376566661
Energy: 2.2981078897037297
Energy: 1.718495837655287
Energy: 2.298107889707867
Energy: 1.6998203296535752
Energy: 1.9823776685740226
Energy: 1.6998203270401024
Energy: 1.9823776685767809
Energy: 1.699820329654954
Energy: 1.9823776685767809
Energy: 2.264580915299214
Energy: 1.9496653174012943
Energy: 2.264580915299214
Energy: 1.9496653174012943
Energy: 2.264580915300593
Energy: 1.9496653174012943
Energy: 1.7633201132057257
Energy: 1.79198337633477
Energy: 1.7633201131906189
Energy: 1.7919833763333908
Energy: 1.7633201131837237
Energy: 1.7919833763333908
Energy: 1.8179686893296974
Energy: 1.8500017179962507
Energy: 1.8179686893337719
Energy: 1.850001717999009
Energy: 1.8179686893283185
Energy: 1.8500017179976298
Energy: 2.218718292033932
Energy: 1.6235970575030774
Energy: 2.218718292033932
Energy: 1.6235970575016985
Energy: 2.218718292033932
Energy: 1.6235970575016985
Energy: 1.6899928978032759
Energy: 1.8903948717634613
Energy: 1.6899928978032759
Energy: 1.8903948717648407
Energy: 1.6899928978032759
Energy: 1.8903948717648407
Energy: 2.2503302293879663
Energy: 1.7635681648931762
Energy: 2.2503302293865874
Energy: 1.7635681648931762
Energy: 2.2503302293865874
Energy: 1.7635681648931762
Energy: 2.1687382785353497
Energy: 1.7391979900095214
Energy: 2.1687382785353497
Energy: 1.7391979900095214
Energy: 2.1687382785353497
Energy: 1.7391979900095214
Energy: 2.1800147684565965
Energy: 2.2446446010294654
Energy: 2.180014768464871
Energy: 2.2446446010294654
Energy: 2.1800147684565965
Energy: 2.2446446010294654

minimum gb energy = 1.507523553921669 eV
minimum distance =  2.26334401261091 Angstroms
sigma value = 11


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

Energy: 2.105411186679579
Energy: 1.5898872198826277
Energy: 2.1054111866662786
Energy: 1.5898872198765697
Energy: 2.105411186678973
Energy: 1.5898872198747522
Energy: 2.240762833293962
Energy: 2.2625061854870308
Energy: 2.2407628332927505
Energy: 2.2625061850086334
Energy: 2.2407628332927505
Energy: 2.2625061820227335
Energy: 1.998627368175164
Energy: 1.9196163374620092
Energy: 2.041815386025236
Energy: 1.919616337450499
Energy: 1.9605395877526346
Energy: 1.9196163374607975
Energy: 2.2538508479291797
Energy: 1.8494683021978386
Energy: 2.253850847929785
Energy: 1.849468302199656
Energy: 2.2538508479291797
Energy: 1.8494683021972333
Energy: 1.8097719027940382
Energy: 2.1429577837297424
Energy: 1.8097719028261186
Energy: 2.1429577837297424
Energy: 1.8097719027831334
Energy: 2.142957783730348
Energy: 1.9486505584044589
Energy: 2.2795432942704363
Energy: 1.9486505583977949
Energy: 2.279543294271042
Energy: 1.9486505584050646
Energy: 2.279543294271042
Energy: 2.192815377885826
Energy: 1.645174015864343
Energy: 2.1928153778852204
Energy: 1.6451740158558619
Energy: 2.192815377886432
Energy: 1.6451740158564676
Energy: 2.140258579417781
Energy: 2.158831832114337
Energy: 2.1402585794171753
Energy: 2.1588318321185778
Energy: 2.1402585794171753
Energy: 2.1588318321028264
Energy: 2.2692039925797003
Energy: 2.1079102347594203
Energy: 2.2692039925718244
Energy: 2.107910234760026
Energy: 2.2692039926184444
Energy: 2.107910234760026
Energy: 2.1388416393168352
Energy: 1.8505617207668779
Energy: 2.138841639319864
Energy: 1.8505617207680896
Energy: 2.1388416393156233
Energy: 1.8505617207674838
Energy: 1.6450179757861727
Energy: 2.363905321026377
Energy: 1.6450179757867789
Energy: 2.363905321026983
Energy: 1.6450179757867789
Energy: 2.363905321027589
Energy: 1.8912158460259791
Energy: 2.1682091877173195
Energy: 1.8912158460259791
Energy: 2.1682091877178977
Energy: 1.8912158460259791
Energy: 2.168209187716714
Energy: 2.047379240230057
Energy: 1.8464379131021695
Energy: 2.0473792402464137
Energy: 1.8464379131354616
Energy: 2.047379240240962
Energy: 1.8464379131403084
Energy: 1.9086246298704541
Energy: 1.9884848872824687
Energy: 1.9086246298710599
Energy: 1.9884848872824687
Energy: 1.9086246298710599
Energy: 1.9884848872824687
Energy: 2.176705672301364
Energy: 2.1429731212213055
Energy: 2.176705672301364
Energy: 2.1429731212182763
Energy: 2.1767056723019698
Energy: 2.14297312122249
Energy: 2.130475294169443
Energy: 1.641090682637874
Energy: 2.130475294169443
Energy: 1.6410906826299987
Energy: 2.130475294169443
Energy: 1.641090682637874
Energy: 2.1070732611637952
Energy: 2.1642617249383576
Energy: 2.107073261165613
Energy: 2.1642617249383576
Energy: 2.1070732611637952
Energy: 2.1642617249377514
Energy: 1.965237728588452
Energy: 1.9447651311967753
Energy: 1.9652377285890577
Energy: 1.9447651311967753
Energy: 1.9652377285890577
Energy: 1.9447651311967753
Energy: 2.2977677825344753
Energy: 1.874842485235021
Energy: 2.2977677825338696
Energy: 1.8748424852319918
Energy: 2.2977677825338696
Energy: 1.8748424852301744
Energy: 1.7805429074480652
Energy: 2.1008508496083262
Energy: 1.7805429074480652
Energy: 2.1008508496083262
Energy: 1.7805429074480652
Energy: 2.1008508496083262
Energy: 2.166722751351392
Energy: 2.1756317251239317
Energy: 2.1667227513538148
Energy: 2.175631725120297
Energy: 2.1667227513538148
Energy: 2.175631725119691
Energy: 2.145464800621001
Energy: 1.8898981221594635
Energy: 2.1454648006276655
Energy: 1.8898981221546167
Energy: 2.145464800617366
Energy: 1.8898981221594635
Energy: 1.9320983227289623
Energy: 1.8941293465619589
Energy: 1.9320983225909203
Energy: 1.8941293465583242
Energy: 1.932098322520068
Energy: 1.8941293465583242
Energy: 2.408094605494853
Energy: 1.9169218996719162
Energy: 2.4080946054972765
Energy: 1.9169218996719162
Energy: 2.4080946054954593
Energy: 1.91692189967131
Energy: 2.317979158951706
Energy: 1.7459042212815687
Energy: 2.317979158951706
Energy: 1.7459042212815687
Energy: 2.3179791589511
Energy: 1.7459042212821745
Energy: 1.736666039643734
Energy: 2.239705869895444
Energy: 1.7366660396510036
Energy: 2.239705869895444
Energy: 1.736666039643734
Energy: 2.239705869895444
Energy: 2.1127805898395633
Energy: 2.181890631195572
Energy: 2.1127805898407748
Energy: 2.181890631195572
Energy: 2.112780589840169
Energy: 2.181890631195572
Energy: 2.1527380665822493
Energy: 2.2102353667339356
Energy: 2.1527380665822493
Energy: 2.2102353667339356
Energy: 2.1527380665822493
Energy: 2.2102353667339356
Energy: 1.719978974629009
Energy: 2.078643147162592
Energy: 1.719978974629009
Energy: 2.078643147161986
Energy: 1.7199789746296152
Energy: 2.078643147162592
Energy: 2.2506800337495867
Energy: 2.0298834276294992
Energy: 2.2506800329157444
Energy: 2.0298834276294992
Energy: 2.2506800327020033
Energy: 2.0298834276294992
Energy: 2.2289016158983426
Energy: 1.8732365583867308
Energy: 2.22890161590016
Energy: 1.8732365583873367
Energy: 2.2289016158983426
Energy: 1.8732365583873367

minimum gb energy = 1.5898872198747522 eV
minimum distance =  2.28551874046149 Angstroms
sigma value = 57


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

Energy: 2.080252234880749
Energy: 2.171288719794381
Energy: 2.080252234880749
Energy: 2.171288719794381
Energy: 2.080252234880749
Energy: 2.171288719794381
Energy: 1.8607878460698302
Energy: 2.229455754260966
Energy: 1.8607878460698302
Energy: 2.22945575431379
Energy: 1.8607878460698302
Energy: 2.2294557542782143
Energy: 1.9433846694480728
Energy: 1.8824735703961988
Energy: 1.9433846694340584
Energy: 1.8824735703972766
Energy: 1.9433846694480728
Energy: 1.8824735703929645
Energy: 2.1018026278722006
Energy: 2.297308634210728
Energy: 2.101802627871123
Energy: 2.297312340030015
Energy: 2.1018026278722006
Energy: 2.2973044488176444
Energy: 1.5534460068750855
Energy: 1.879419045441506
Energy: 1.553446006558287
Energy: 1.879419045442584
Energy: 1.553446006856808
Energy: 1.879419045442584
Energy: 1.8384355126685477
Energy: 2.1162755495104473
Energy: 1.8384355126674696
Energy: 2.116275549507213
Energy: 1.8384355126674696
Energy: 2.116275549523384
Energy: 2.080252234880749
Energy: 2.171288719794381
Energy: 2.080252234880749
Energy: 2.171288719794381
Energy: 2.080252234880749
Energy: 2.171288719794381
Energy: 1.8607878460687521
Energy: 2.22945575424161
Energy: 1.8607878460687521
Energy: 2.2294557542782143
Energy: 1.8607878460687521
Energy: 2.2294557542836047
Energy: 1.9433846693930925
Energy: 1.882473570106351
Energy: 1.9433846693963266
Energy: 1.8824735700988044
Energy: 1.943384669403873
Energy: 1.8824735701031168
Energy: 2.1018026278722006
Energy: 2.356512715235587
Energy: 2.101802627871123
Energy: 2.3565127152345093
Energy: 2.101802627871123
Energy: 2.3565127152345093
Energy: 1.5534460066757452
Energy: 1.8794190454468964
Energy: 1.5534460069225198
Energy: 1.8794190454447404
Energy: 1.5534460068934126
Energy: 1.8794190454479742
Energy: 1.8384355126674696
Energy: 2.116275549633296
Energy: 1.8384355126674696
Energy: 2.116275549630062
Energy: 1.8384355126674696
Energy: 2.116275549637608
Energy: 2.080252234880749
Energy: 2.1712887197933033
Energy: 2.080252234880749
Energy: 2.1712887197933033
Energy: 2.080252234880749
Energy: 2.1712887197933033
Energy: 1.8607878460698302
Energy: 2.229455754494804
Energy: 1.8607878460698302
Energy: 2.2294557544851017
Energy: 1.8607878460698302
Energy: 2.2294557544711355
Energy: 1.9433846694103412
Energy: 1.8824735702141067
Energy: 1.9433846694157315
Energy: 1.882473570221653
Energy: 1.9433846694157315
Energy: 1.8824735702162627
Energy: 2.1018026278722006
Energy: 2.356512715275426
Energy: 2.101802627871123
Energy: 2.3565127152668017
Energy: 2.1018026278689668
Energy: 2.35651271527327
Energy: 1.553446005615437
Energy: 1.879419045442584
Energy: 1.5534460056682124
Energy: 1.879419045440428
Energy: 1.5534460056035786
Energy: 1.879419045441506

minimum gb energy = 1.5534460056035786 eV
minimum distance =  2.32981185842094 Angstroms
sigma value = 9


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

Energy: 1.97543407511826
Energy: 1.5544760821001453
Energy: 1.97543407511826
Energy: 1.5544760821080674
Energy: 1.97543407511826
Energy: 1.5544760820983847
Energy: 2.107954233233445
Energy: 2.363271341567969
Energy: 2.107954233233445
Energy: 2.363271341276736
Energy: 2.107954233233445
Energy: 2.3632713413479935
Energy: 2.0788243979277046
Energy: 2.151505092035104
Energy: 2.0788243979277046
Energy: 2.1515050920359844
Energy: 2.0788243979277046
Energy: 2.1515050920359844
Energy: 1.9972399453422316
Energy: 1.911466653530993
Energy: 1.9972399453413516
Energy: 1.911466653534514
Energy: 1.9972399453413516
Energy: 1.911466653530993
Energy: 2.154818940245735
Energy: 2.1505811698387345
Energy: 2.1548189402510163
Energy: 2.1505811698387345
Energy: 2.1548189402527766
Energy: 2.1505811698387345
Energy: 2.2102607159699623
Energy: 2.000924000471695
Energy: 2.2102607159699623
Energy: 2.0009240004708153
Energy: 2.2102607159699623
Energy: 2.000924000471695
Energy: 1.9217403081604778
Energy: 1.7683123223166202
Energy: 1.9217403081595978
Energy: 1.7683123223148596
Energy: 1.9217403081613578
Energy: 1.7683123223166202
Energy: 2.3680230144170746
Energy: 2.35074994956582
Energy: 2.368023014417955
Energy: 2.3507499495667004
Energy: 2.3680230144170746
Energy: 2.35074994956582
Energy: 2.028518245102929
Energy: 2.404082117135963
Energy: 2.0285182451038093
Energy: 2.4040821171438447
Energy: 2.02851824510469
Energy: 2.4040821171280404
Energy: 1.8974213500236847
Energy: 1.7598731231376814
Energy: 1.897421350013122
Energy: 1.7598731231376814
Energy: 1.8974213500228045
Energy: 1.7598731231376814
Energy: 2.3745515398245085
Energy: 2.23049610297138
Energy: 2.374551539821868
Energy: 2.23049610297138
Energy: 2.3745515398236288
Energy: 2.23049610297138
Energy: 1.6422547413044517
Energy: 1.9259578624362934
Energy: 1.6422547413044517
Energy: 1.9259578624450957
Energy: 1.6422547413053317
Energy: 1.9259578624468559
Energy: 2.323597342430585
Energy: 1.9948965386991155
Energy: 2.3235973424253036
Energy: 1.994896538697355
Energy: 2.3235973424279446
Energy: 1.9948965386991155
Energy: 2.041424742466
Energy: 2.086082528326405
Energy: 2.041424739419113
Energy: 2.086082528326405
Energy: 2.041424743272803
Energy: 2.086082528326405
Energy: 1.7455800285869487
Energy: 2.077889120736915
Energy: 1.7455800285878291
Energy: 2.077889120736915
Energy: 1.7455800285878291
Energy: 2.077889120736915
Energy: 1.8442111290049819
Energy: 2.0705265635741963
Energy: 1.8442111290032213
Energy: 2.070526563573316
Energy: 1.8442111290058618
Energy: 2.070526563573316
Energy: 2.3693582999013634
Energy: 1.9876740736536334
Energy: 2.3693582999013634
Energy: 1.9876740736888423
Energy: 2.369358299903124
Energy: 1.987674073664196
Energy: 1.7404317801471871
Energy: 2.0878474141521908
Energy: 1.740431780148067
Energy: 2.0878474141521908
Energy: 1.740431780148067
Energy: 2.0878474141521908
Energy: 2.13051035198577
Energy: 1.8847136875469992
Energy: 2.13051035198577
Energy: 1.8847136875900896
Energy: 2.13051035198665
Energy: 1.8847136875293944
Energy: 2.323996815615723
Energy: 2.2233131191039193
Energy: 2.323996815664095
Energy: 2.2233131191039193
Energy: 2.323996815615723
Energy: 2.2233131191039193
Energy: 1.5803424464307003
Energy: 2.3001920017929334
Energy: 1.5803424464307003
Energy: 2.3001920017938136
Energy: 1.5803424464315805
Energy: 2.3001920017929334

minimum gb energy = 1.5544760820983847 eV
minimum distance =  2.32183028381557 Angstroms
sigma value = 27


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

Energy: 1.5887472145643604
Energy: 1.8492243919532727
Energy: 1.5887472142194825
Energy: 1.8492243927631586
Energy: 1.5887472145228103
Energy: 1.849224391988145
Energy: 2.044793469615631
Energy: 1.9881162472663192
Energy: 2.044793469616373
Energy: 1.9881162472663192
Energy: 2.044793469615631
Energy: 1.9881162472663192
Energy: 1.7441050417840391
Energy: 2.0766923061592593
Energy: 1.744105041785523
Energy: 2.0766923061585176
Energy: 1.744105041785523
Energy: 2.0766923061592593
Energy: 2.3778125815200126
Energy: 2.2143405194697934
Energy: 2.377812581531142
Energy: 2.2143405194697934
Energy: 2.3778125815022055
Energy: 2.2143405194697934
Energy: 1.7625837982505097
Energy: 2.299935393922666
Energy: 1.7625837982505097
Energy: 2.299935393923408
Energy: 1.7625837982497679
Energy: 2.2999353939204403
Energy: 1.8586246543400518
Energy: 1.9732403324087868
Energy: 1.8586246543400518
Energy: 1.9732403341768499
Energy: 1.858624654340794
Energy: 1.9732403331637673
Energy: 1.7888430139537708
Energy: 1.9844483206498256
Energy: 1.788843013953029
Energy: 1.9844483206727928
Energy: 1.7888430139552547
Energy: 1.9844483206905996
Energy: 1.7712670020612735
Energy: 1.8445182117489929
Energy: 1.7712670061402471
Energy: 1.8445182117504768
Energy: 1.7712670042936032
Energy: 1.844518211748251
Energy: 1.7355725596946292
Energy: 2.1768179752595387
Energy: 1.7355725597235654
Energy: 2.1768179752595387
Energy: 1.7355725596872094
Energy: 2.1768179752595387
Energy: 2.1902718181837657
Energy: 1.8351225507584052
Energy: 2.190271818154863
Energy: 1.8351225506820164
Energy: 2.190271818201573
Energy: 1.835122550759147
Energy: 2.2728188188264777
Energy: 1.903467774041918
Energy: 2.2728188191528065
Energy: 1.9034677740493378
Energy: 2.2728188179157525
Energy: 1.9034677740493378
Energy: 1.6102925034841609
Energy: 2.0105392288339807
Energy: 1.6102925034849027
Energy: 2.0105392288339807
Energy: 1.6102925034841609
Energy: 2.0105392288339807
Energy: 1.6530502848467945
Energy: 2.1568942970561054
Energy: 1.6530502857196794
Energy: 2.15689429703759
Energy: 1.6530502851627356
Energy: 2.156894297044976
Energy: 1.6080063513566505
Energy: 1.7382018586791552
Energy: 1.6080063513306817
Energy: 1.738201858681381
Energy: 1.6080063513559084
Energy: 1.738201858679897
Energy: 1.717113252170756
Energy: 2.0864221708553052
Energy: 1.717113252170756
Energy: 2.0864221708515958
Energy: 1.717113252170756
Energy: 2.0864221708553052
Energy: 1.7402011231953367
Energy: 2.6086540102985354
Energy: 1.7402011231953367
Energy: 2.608654010245148
Energy: 1.7402011231953367
Energy: 2.6086540101717275
Energy: 2.2689259532251245
Energy: 1.858801619901415
Energy: 2.2689259532191888
Energy: 1.8588016199006734
Energy: 2.2689259532154793
Energy: 1.8588016199006734
Energy: 2.0129193823563725
Energy: 1.780197021422477
Energy: 2.0129193823548883
Energy: 1.7801970518494548
Energy: 2.0129193823548883
Energy: 1.7801970085677377
Energy: 1.733568943375221
Energy: 1.8652785815782107
Energy: 1.733568946963993
Energy: 1.8652785815767268
Energy: 1.7335689545145423
Energy: 1.8652785815767268
Energy: 1.5887472136669902
Energy: 1.8492243909958372
Energy: 1.5887472135898597
Energy: 1.8492243919814673
Energy: 1.5887472137411527
Energy: 1.8492243910329353
Energy: 2.0447934696141474
Energy: 1.9881162472670615
Energy: 2.0447934696141474
Energy: 1.9881162472670615
Energy: 2.0447934696141474
Energy: 1.9881162472663192
Energy: 1.7441050418092323
Energy: 2.0766923061562914
Energy: 1.7441050418107162
Energy: 2.0766923061562914
Energy: 1.7441050418099742
Energy: 2.0766923061555493
Energy: 2.377812581315332
Energy: 2.2143405194690513
Energy: 2.377812581334623
Energy: 2.2143405194683097
Energy: 2.3778125813249775
Energy: 2.2143405194683097
Energy: 1.7625837982512518
Energy: 2.2999353938751805
Energy: 1.7625837982505097
Energy: 2.2999353938751805
Energy: 1.7625837982505097
Energy: 2.2999353938729548
Energy: 1.8586246543400518
Energy: 1.9732403333944166
Energy: 1.8586246543400518
Energy: 1.9732403345328233
Energy: 1.8586246543400518
Energy: 1.973240334051492

minimum gb energy = 1.5887472135898597 eV
minimum distance =  2.33169058215871 Angstroms
sigma value = 19


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

Energy: 1.4361953158005822
Energy: 1.8190558968582073
Energy: 1.4361953158005822
Energy: 1.819055896857567
Energy: 1.4361953158012226
Energy: 1.819055896857567
Energy: 2.0681887838004167
Energy: 2.1335522741606066
Energy: 2.0681887837978543
Energy: 2.1335522741721347
Energy: 2.068188783794652
Energy: 2.133552274073563
Energy: 2.0334286816473472
Energy: 1.8317150475681774
Energy: 2.0334286816454257
Energy: 1.8317150475688175
Energy: 2.0334286816511895
Energy: 1.8317150475694584
Energy: 1.4615761321873664
Energy: 1.6040506244544697
Energy: 1.4615761321899279
Energy: 1.6040506244538293
Energy: 1.4615761321886471
Energy: 1.6040506244538293
Energy: 2.2369710130416514
Energy: 2.119664247122899
Energy: 2.23697101303909
Energy: 2.119664247123539
Energy: 2.2369710130397302
Energy: 2.1196642471216176
Energy: 1.5385981231294854
Energy: 1.5215261595945
Energy: 1.5385981231282044
Energy: 1.5215261595945
Energy: 1.5385981231282044
Energy: 1.5215261595938596
Energy: 2.2117530539010444
Energy: 2.226452051082918
Energy: 2.2117530539010444
Energy: 2.226452051080356
Energy: 2.2117530539010444
Energy: 2.2264520510822776
Energy: 2.1237821171332922
Energy: 2.1077270806961645
Energy: 2.1237821171332922
Energy: 2.107727080695524
Energy: 2.123782117131371
Energy: 2.1077270806961645
Energy: 1.4932386864498466
Energy: 1.3754851152725835
Energy: 1.4932386864517682
Energy: 1.375485115271303
Energy: 1.4932386864498466
Energy: 1.375485115270022
Energy: 2.1032667933239213
Energy: 2.14166572064966
Energy: 2.1032667933239213
Energy: 2.141665720942872
Energy: 2.1032667933239213
Energy: 2.141665720681043
Energy: 1.7445846873323125
Energy: 1.7981437711328117
Energy: 1.7445846873323125
Energy: 1.798143771133452
Energy: 1.7445846873323125
Energy: 1.7981437711353734
Energy: 2.0221427514998025
Energy: 1.6341149906291035
Energy: 2.0221427514863533
Energy: 1.634114990649598
Energy: 2.0221427515337176
Energy: 1.6341149905810985
Energy: 2.26965968792764
Energy: 2.174714074058283
Energy: 2.2696596879308424
Energy: 2.174714074058283
Energy: 2.269659687932094
Energy: 2.174714074058283
Energy: 1.578868120754669
Energy: 1.5301246667019694
Energy: 1.57886812075595
Energy: 1.5301246667019694
Energy: 1.5788681207533883
Energy: 1.5301246667019694
Energy: 2.192368673209922
Energy: 1.953573062413681
Energy: 2.192368673209922
Energy: 1.9535730624149616
Energy: 2.192368673209922
Energy: 1.9535730624156022
Energy: 1.8128996986256132
Energy: 1.7657591462321047
Energy: 1.8128996986268942
Energy: 1.7657591463741984
Energy: 1.8128996986256132
Energy: 1.7657591462666602
Energy: 1.6355673261797599
Energy: 1.813994002834976
Energy: 1.6355673261791197
Energy: 1.813994002834976
Energy: 1.6355673261771981
Energy: 1.8139940028394592
Energy: 2.177153290885529
Energy: 2.2013133391002038
Energy: 2.177153290885529
Energy: 2.2013133391021253
Energy: 2.177153290885529
Energy: 2.2013133390970014
Energy: 1.7178839841599876
Energy: 1.6505289866065813
Energy: 1.7178839841683136
Energy: 1.6505289866238737
Energy: 1.717883984168954
Energy: 1.6505289866097836
Energy: 1.6519230509329161
Energy: 1.8305428965528954
Energy: 1.6519230509329161
Energy: 1.8305428965528954
Energy: 1.6519230509329161
Energy: 1.8305428965445698
Energy: 1.9630038970939447
Energy: 1.9645114066833007
Energy: 1.9630038970939447
Energy: 1.9645114059797606
Energy: 1.9630038970939447
Energy: 1.9645114060476199
Energy: 1.7474262252001815
Energy: 1.514522980763087
Energy: 1.747426225217474
Energy: 1.514522980763727
Energy: 1.7474262252008224
Energy: 1.514522980763087
Energy: 2.2114055765186467
Energy: 2.2895688473921876
Energy: 2.2114055765192875
Energy: 2.289568847452361
Energy: 2.2114055765192875
Energy: 2.2895688473486655
Energy: 1.8006345517328008
Energy: 1.907104274993345
Energy: 1.8006345517462505
Energy: 1.9071042749927045
Energy: 1.8006345517449696
Energy: 1.907104274993345
Energy: 1.7518503989504244
Energy: 1.666087480859471
Energy: 1.7518503989529863
Energy: 1.666087480859471
Energy: 1.7518503989523455
Energy: 1.666087480859471
Energy: 2.3321557372349404
Energy: 2.1553662616269973
Energy: 2.3321557372349404
Energy: 2.1553662616225138
Energy: 2.3321557372349404
Energy: 2.155366261640447
Energy: 1.6878611829827095
Energy: 1.5437778088871577
Energy: 1.6878611829827095
Energy: 1.5437778088884384
Energy: 1.6878611829827095
Energy: 1.5437778088871577
Energy: 2.0253120140084624
Energy: 2.0306459002370536
Energy: 2.025312013878508
Energy: 2.0306459002370536
Energy: 2.025312013953412
Energy: 2.0306459002370536
Energy: 2.055507722786771
Energy: 1.8429957239865002
Energy: 2.0555077227874117
Energy: 1.842995723992264
Energy: 2.0555077227874117
Energy: 1.8429957239897024

minimum gb energy = 1.375485115270022 eV
minimum distance =  2.24894983100476 Angstroms
sigma value = 101


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

Energy: 1.3393965015246942
Energy: 1.5846185907271533
Energy: 1.3393965015314502
Energy: 1.5846185907271533
Energy: 1.3393965015235683
Energy: 1.5846185907265902
Energy: 2.199220205446485
Energy: 2.0846397140034774
Energy: 2.199220205447048
Energy: 2.084639714004041
Energy: 2.199220205446485
Energy: 2.0846397140029147
Energy: 1.802476704068692
Energy: 1.4194201329086946
Energy: 1.802476704068692
Energy: 1.4194199389322086
Energy: 1.802476704068692
Energy: 1.4194200634821126
Energy: 1.7732148408033168
Energy: 1.8169686687314035
Energy: 1.7732148408044426
Energy: 1.8169686654398987
Energy: 1.7732148408038795
Energy: 1.8169686720087819
Energy: 1.8156005564939526
Energy: 2.021143572983104
Energy: 1.8156005564928266
Energy: 2.0211435729836666
Energy: 1.8156005564928266
Energy: 2.021143572983104
Energy: 1.4458422382880745
Energy: 1.3102171517842134
Energy: 1.4458422382818819
Energy: 1.3102171517825243
Energy: 1.445842238275689
Energy: 1.3102171517842134
Energy: 1.9860861738942561
Energy: 2.126273976205862
Energy: 1.9860861738942561
Energy: 2.1262739766526724
Energy: 1.9860861738920044
Energy: 2.1262739765935583
Energy: 1.7715554958654567
Energy: 2.2273721543454816
Energy: 1.7715554958665827
Energy: 2.2273721543466074
Energy: 1.77155549586602
Energy: 2.227372154344355
Energy: 1.4645989858137571
Energy: 1.4067217013309263
Energy: 1.464598985815446
Energy: 1.4067217013303634
Energy: 1.464598985814883
Energy: 1.4067217013298006
Energy: 1.9876061403247345
Energy: 2.307656832038075
Energy: 1.9876061403264236
Energy: 2.2127650954275926
Energy: 1.9876061403269865
Energy: 2.0579736215559015
Energy: 1.3509908291290058
Energy: 1.7247884632663335
Energy: 1.3509908291824388
Energy: 1.7247884632652073
Energy: 1.3509908291542894
Energy: 1.7247884632629553
Energy: 2.3468917880514626
Energy: 1.9796238548471852
Energy: 2.3468917881865297
Energy: 1.9796238548167837
Energy: 2.3468917880931244
Energy: 1.9796238548167837
Energy: 1.6961234190170789
Energy: 1.6164907759729688
Energy: 1.6961234190115002
Energy: 1.6164907759724059
Energy: 1.6961234190165162
Energy: 1.6164907759729688
Energy: 1.5618059854716257
Energy: 1.7642123070196287
Energy: 1.5618059854350312
Energy: 1.753015399722942
Energy: 1.5618059856066924
Energy: 1.753015399721253
Energy: 2.144858870932704
Energy: 2.10902690330951
Energy: 2.144858870932704
Energy: 2.1090269033089464
Energy: 2.144858870932704
Energy: 2.1090269033089464
Energy: 1.7326043865801073
Energy: 1.520187312343499
Energy: 1.7326043865767295
Energy: 1.5201873123451881
Energy: 1.7326043865778555
Energy: 1.520187312340684
Energy: 1.9151253720393981
Energy: 2.051258020351638
Energy: 1.9151253720393981
Energy: 2.051258020543004
Energy: 1.9151253720399608
Energy: 2.0512580201265433
Energy: 1.7228338360202826
Energy: 1.9560986179577802
Energy: 1.7228338360185935
Energy: 1.9560986179577802
Energy: 1.7228338360197195
Energy: 1.9560986179577802
Energy: 1.5780328326226507
Energy: 1.5430608732851712
Energy: 1.5780328326226507
Energy: 1.5430608683892941
Energy: 1.5780328326226507
Energy: 1.5430608737483082
Energy: 1.9588931005920087
Energy: 2.3397128503363254
Energy: 1.9588931005914454
Energy: 2.3397128503352507
Energy: 1.9588931005897567
Energy: 2.3397128503352507
Energy: 1.5101761693054203
Energy: 1.9770323313300129
Energy: 1.5101761693059834
Energy: 1.9770323313356426
Energy: 1.5101761693048574
Energy: 1.9770323313300129
Energy: 2.077828356221263
Energy: 1.8708109893893035
Energy: 2.0778283562207
Energy: 1.8708109893898668
Energy: 2.077828356221263
Energy: 1.8708109893909928
Energy: 1.844529348903058
Energy: 1.9522737808292563
Energy: 1.844529348903621
Energy: 1.9522737808286932
Energy: 1.844529348903621
Energy: 1.9522737808286932
Energy: 1.316086591151787
Energy: 1.5964563355366979
Energy: 1.316086591151787
Energy: 1.5964563355445285
Energy: 1.3160865911512238
Energy: 1.5964563355405876
Energy: 2.383801810162062
Energy: 2.20458241658672
Energy: 2.3838018101626246
Energy: 2.204582416586157
Energy: 2.383801810162062
Energy: 2.20458241658672
Energy: 1.6241167709932007
Energy: 1.6825456094928706
Energy: 1.624116770993764
Energy: 1.6825456094928706
Energy: 1.624116770993764
Energy: 1.6825456094923077
Energy: 1.8403789416782137
Energy: 2.0193023344803724
Energy: 1.8403789416787766
Energy: 2.0193023344218726
Energy: 1.8403789416782137
Energy: 2.0193023345468055
Energy: 1.9864086678943713
Energy: 2.0447207791161595
Energy: 1.9864086678943713
Energy: 2.044720779117285
Energy: 1.9864086678943713
Energy: 2.044720779117285
Energy: 1.6008345518561866
Energy: 1.5088590993679911
Energy: 1.6008345518561866
Energy: 1.5088590992875344
Energy: 1.6008345518556235
Energy: 1.5088590993449595
Energy: 2.119598626691034
Energy: 2.3681868397501455
Energy: 2.1195986266915976
Energy: 2.3681868398177044
Energy: 2.1195986266921607
Energy: 2.3681868397749173
Energy: 1.5949654801162598
Energy: 1.799613354053724
Energy: 1.5949654801173858
Energy: 1.7996133540576649
Energy: 1.5949654801162598
Energy: 1.7996133540587909
Energy: 1.6713220790605898
Energy: 1.7794391968099341
Energy: 1.671322079064531
Energy: 1.7794391968065562
Energy: 1.671322079064531
Energy: 1.7794391968082455
Energy: 2.1446624604189557
Energy: 1.8789859106630644
Energy: 2.1446624604183926
Energy: 1.878985910818399
Energy: 2.1446624604212077
Energy: 1.8789859107452098

minimum gb energy = 1.3102171517825243 eV
minimum distance =  2.28169509440781 Angstroms
sigma value = 33


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

Energy: 0.02054196679060531
Energy: 1.3641426298777686
Energy: 0.02054196679060531
Energy: 1.3641426298777686
Energy: 0.02054196679060531
Energy: 1.364142629877301
Energy: 2.3535995673441517
Energy: 2.197110250644598
Energy: 2.3535995673441517
Energy: 2.19711025064413
Energy: 2.3535995673446193
Energy: 2.19711025064413
Energy: 1.7058917636278799
Energy: 0.4336606366484666
Energy: 1.6276188659228894
Energy: 0.4336606366484666
Energy: 1.7072849989290004
Energy: 0.4336606366479988
Energy: 2.3535995673446193
Energy: 2.197110250645013
Energy: 2.3535995673441517
Energy: 2.19711025064413
Energy: 2.3535995673446193
Energy: 2.197110250644598

minimum gb energy = 0.02054196679060531 eV
minimum distance =  2.45914922135807 Angstroms
sigma value = 1