Model name: model_name=MEAM_LAMMPS_LeeShimBaskes_2003_Al__MO_353977746962_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.044650763273239
cohesive_energy=3.360264280667937
mass=26.981538
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: 0.010384172211299959
Energy: 0.5018825078138476
Energy: 0.010384172211299959
Energy: 0.5018825078138476
Energy: 0.010384172211299959
Energy: 0.5018825078138476
Energy: 0.5018825078138476
Energy: 0.7158999597945781
Energy: 0.5018825078138476
Energy: 0.7158999597943276
Energy: 0.5018825078138476
Energy: 0.7158999597945781
Energy: 0.010384172211299959
Energy: 0.5018825078138476
Energy: 0.010384172211299959
Energy: 0.5018825078138476
Energy: 0.010384172211299959
Energy: 0.5018825078138476
Energy: 0.5018825078138476
Energy: 0.7158999597945781
Energy: 0.5018825078138476
Energy: 0.6897462514381129
Energy: 0.5018825078138476
Energy: 0.7158999597943276
Energy: 0.010384172211299959
Energy: 0.5018825078138476
Energy: 0.010384172211299959
Energy: 0.5018825078138476
Energy: 0.010384172211299959
Energy: 0.5018825078138476
Energy: 0.5018825078138476
Energy: 0.7158999597945781
Energy: 0.501882507814098
Energy: 0.7158999597945781
Energy: 0.501882507814098
Energy: 0.7158999597941049

minimum gb energy = 0.010384172211299959 eV
minimum distance =  2.60747464544259 Angstroms
sigma value = 1


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

Energy: 0.6474073691265652
Energy: 0.596434648702325
Energy: 0.6474073691265652
Energy: 0.596434648702325
Energy: 0.6474073691259621
Energy: 0.5964346487029282
Energy: 0.6802803021469431
Energy: 0.5595908607856495
Energy: 0.6802803021463402
Energy: 0.5595908607856495
Energy: 0.680280302145737
Energy: 0.5595908607856495
Energy: 0.6120394661821847
Energy: 0.6155752410590911
Energy: 0.6120394661815817
Energy: 0.6155752409451729
Energy: 0.6120394661809786
Energy: 0.6155752406172607
Energy: 0.6484779413348627
Energy: 0.5879964168900621
Energy: 0.6484779413348627
Energy: 0.5879964168991074
Energy: 0.6484779413348627
Energy: 0.5879964168997106
Energy: 0.6181527084283899
Energy: 0.6415324905862775
Energy: 0.6181527084289928
Energy: 0.6415324905844684
Energy: 0.6181527084283899
Energy: 0.6415324905856745
Energy: 0.660771724314716
Energy: 0.5845065589219449
Energy: 0.660771724314716
Energy: 0.584506558922548
Energy: 0.660771724315319
Energy: 0.584506558923754
Energy: 0.5829612890929564
Energy: 0.6486867503842957
Energy: 0.5829612890911473
Energy: 0.6486867503836927
Energy: 0.5829612890935594
Energy: 0.6486867503842957
Energy: 0.5989905282246332
Energy: 0.6761023525604796
Energy: 0.5989905282246332
Energy: 0.6761023525604796
Energy: 0.5989905282246332
Energy: 0.6761023525604796
Energy: 0.6512922398167923
Energy: 0.6412315459650249
Energy: 0.6512922398173955
Energy: 0.6412315459656278
Energy: 0.6512922398173955
Energy: 0.6412315459650249
Energy: 0.5558264105279006
Energy: 0.6611382386462048
Energy: 0.5558264105272976
Energy: 0.6611372141825068
Energy: 0.5558264105279006
Energy: 0.6611348016347787
Energy: 0.6451017301271242
Energy: 0.5806877790724401
Energy: 0.6451017301271242
Energy: 0.5806877790724401
Energy: 0.6451017301265212
Energy: 0.5806877790724401
Energy: 0.5383888966765693
Energy: 0.6635627157581853
Energy: 0.5383888966771724
Energy: 0.6635627157569792
Energy: 0.5383888966765693
Energy: 0.6635627157569792
Energy: 0.6547206460331442
Energy: 0.5341147849341119
Energy: 0.6547206460343501
Energy: 0.534114784934715
Energy: 0.6547206460343501
Energy: 0.5341147849341119
Energy: 0.5870942216452925
Energy: 0.5963987197044046
Energy: 0.5870942216452925
Energy: 0.5963987197050076
Energy: 0.5870942216452925
Energy: 0.5963987197056105
Energy: 0.691044151289819
Energy: 0.5619293141675735
Energy: 0.691044151289819
Energy: 0.5619293141675735
Energy: 0.691044151289819
Energy: 0.5619293141675735
Energy: 0.6930673843324748
Energy: 0.637621328837494
Energy: 0.6930673843324748
Energy: 0.637621328837494
Energy: 0.6930673843324748
Energy: 0.637621328837494
Energy: 0.643232339530675
Energy: 0.6176526552460109
Energy: 0.6432323395318811
Energy: 0.6176526552454079
Energy: 0.6432323395312779
Energy: 0.6176526552448048
Energy: 0.6461709236407596
Energy: 0.6007527752042844
Energy: 0.6461709236407596
Energy: 0.6007527752042844
Energy: 0.6461709236401566
Energy: 0.6007527752036813
Energy: 0.6221125738681487
Energy: 0.5980854811499362
Energy: 0.6221125738687517
Energy: 0.5980854811493332
Energy: 0.6221125738687517
Energy: 0.5980854811493332
Energy: 0.6252063671220056
Energy: 0.5838364747269308
Energy: 0.6252063671226087
Energy: 0.5838364747263279
Energy: 0.6252063671226087
Energy: 0.583836474727534
Energy: 0.5631635008096881
Energy: 0.6583560767636291
Energy: 0.563163500809085
Energy: 0.658356076764232
Energy: 0.563163500809085
Energy: 0.658356076763026
Energy: 0.6456841124830514
Energy: 0.6383323045698026
Energy: 0.6456841124836544
Energy: 0.6383323045698026
Energy: 0.6456841124836544
Energy: 0.6383323045698026
Energy: 0.5599943445933875
Energy: 0.6655374927121065
Energy: 0.5599943445933875
Energy: 0.6655374927115034
Energy: 0.5599943445933875
Energy: 0.6655374927115034

minimum gb energy = 0.5341147849341119 eV
minimum distance =  2.55706464896026 Angstroms
sigma value = 33


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

Energy: 0.7033759987533994
Energy: 0.6536570776872861
Energy: 0.6827879284749975
Energy: 0.6536570776879721
Energy: 0.7033759987530563
Energy: 0.6536570776872861
Energy: 0.6430143894614956
Energy: 0.5895491809744928
Energy: 0.6430143894618386
Energy: 0.5895491809734639
Energy: 0.6430143894604665
Energy: 0.5895491809744928
Energy: 0.5659750514364014
Energy: 0.5909359765049826
Energy: 0.5659750514357154
Energy: 0.5909359765060117
Energy: 0.5659750514360584
Energy: 0.5909359765063547
Energy: 0.6585866873514714
Energy: 0.6777649875265538
Energy: 0.6585866873507855
Energy: 0.6777649875265538
Energy: 0.6585866873514714
Energy: 0.6777649875275829
Energy: 0.6169210104738881
Energy: 0.6238599491858402
Energy: 0.6169210104738881
Energy: 0.6238599491854973
Energy: 0.6169210104738881
Energy: 0.6238599491865262
Energy: 0.5867174138247055
Energy: 0.5704756886531017
Energy: 0.5867174138260776
Energy: 0.5704756886462418
Energy: 0.5867174138257345
Energy: 0.5704756886555028
Energy: 0.6549672513355214
Energy: 0.6455733406303205
Energy: 0.6549672513348352
Energy: 0.6455733406306634
Energy: 0.6549672513355214
Energy: 0.6455733406282623
Energy: 0.53841183638844
Energy: 0.6934132901946827
Energy: 0.5384118363880971
Energy: 0.6934132901943397
Energy: 0.53841183638844
Energy: 0.6934132901936536
Energy: 0.5521851410894094
Energy: 0.5670423273583219
Energy: 0.5521851410897524
Energy: 0.5670423273579789
Energy: 0.5521851410900954
Energy: 0.567042327358665
Energy: 0.5649736864840469
Energy: 0.6719917945200491
Energy: 0.5649718712341613
Energy: 0.6719917945200491
Energy: 0.5649736864840469
Energy: 0.671991794521078
Energy: 0.689850128848025
Energy: 0.5631909472421295
Energy: 0.68985012884974
Energy: 0.5631909472424724
Energy: 0.6898501288476818
Energy: 0.5631909472428155
Energy: 0.5662711059172714
Energy: 0.6026794983879421
Energy: 0.5662715396125878
Energy: 0.6026794983889712
Energy: 0.5662711059176143
Energy: 0.6026794983889712
Energy: 0.6791904167824162
Energy: 0.5495241577489366
Energy: 0.6791929227489373
Energy: 0.5495241577489366
Energy: 0.6791904167827593
Energy: 0.5495241577479075
Energy: 0.6817566408877311
Energy: 0.6230459424206398
Energy: 0.6817522757782871
Energy: 0.6230848735107004
Energy: 0.6817566408877311
Energy: 0.6231035834715453
Energy: 0.6382937286547496
Energy: 0.5907249167763258
Energy: 0.6382937286547496
Energy: 0.5907249167759828
Energy: 0.6382937286540636
Energy: 0.5907249167756398
Energy: 0.565878958265465
Energy: 0.5934778951006833
Energy: 0.5658789582661509
Energy: 0.5934778951010262
Energy: 0.565878958265808
Energy: 0.5934778950996542
Energy: 0.6843300941154825
Energy: 0.6470156116235867
Energy: 0.6843300941168545
Energy: 0.6470156116232436
Energy: 0.6843300941161685
Energy: 0.6470156116225577
Energy: 0.6165734203160574
Energy: 0.5701704973952778
Energy: 0.6165734203174296
Energy: 0.5701704973952778
Energy: 0.6165734203164006
Energy: 0.5701704973963067
Energy: 0.5828274184385974
Energy: 0.5833155229457726
Energy: 0.5828274184392833
Energy: 0.5833155229461155
Energy: 0.5828274184385974
Energy: 0.5833155229454295
Energy: 0.6533637280751987
Energy: 0.6411993461162858
Energy: 0.6533637280751987
Energy: 0.6411993461159429
Energy: 0.6533637280751987
Energy: 0.6411993461166288
Energy: 0.5373541079064665
Energy: 0.6852092143144971
Energy: 0.5373541079068095
Energy: 0.6852092143158691
Energy: 0.5373541079064665
Energy: 0.685209214313468
Energy: 0.5903230725146507
Energy: 0.5681445758264401
Energy: 0.5903230725139648
Energy: 0.568144575826097
Energy: 0.5903230725143077
Energy: 0.568144575826783
Energy: 0.5657430561239517
Energy: 0.6725085813903383
Energy: 0.5657386506099595
Energy: 0.6725085813903383
Energy: 0.5657430561239517
Energy: 0.6725085813906813
Energy: 0.6922613855178764
Energy: 0.6154952708082744
Energy: 0.6922613855171904
Energy: 0.6154952708075884
Energy: 0.6922613855171904
Energy: 0.6154952708086174
Energy: 0.5663492169622415
Energy: 0.5843696232627916
Energy: 0.5663120211211461
Energy: 0.5843696232065705
Energy: 0.5663492169622415
Energy: 0.5843696228338829
Energy: 0.6906875057137284
Energy: 0.6558044855065316
Energy: 0.6740165163862468
Energy: 0.6558044855065316
Energy: 0.6906875057137284
Energy: 0.6558044855079036
Energy: 0.690225327502865
Energy: 0.6512963758375735
Energy: 0.6738905611163437
Energy: 0.6512963758386024
Energy: 0.690225327503208
Energy: 0.6512963758362015
Energy: 0.5670042999430807
Energy: 0.5902212944348638
Energy: 0.5670042999427377
Energy: 0.5902212944348638
Energy: 0.5670042999427377
Energy: 0.5902212944362358
Energy: 0.6721067002074906
Energy: 0.5894521766748919
Energy: 0.6721067002074906
Energy: 0.5894521766748919
Energy: 0.6721067002078336
Energy: 0.5894521766766069
Energy: 0.5638983169636096
Energy: 0.7082239118488014
Energy: 0.5638983169639524
Energy: 0.7082239118491443
Energy: 0.5638983169636096
Energy: 0.7082239118477723
Energy: 0.6283841912337036
Energy: 0.5672106669759227
Energy: 0.6283841912330176
Energy: 0.5672106669759227
Energy: 0.6283841912343896
Energy: 0.5672106669759227
Energy: 0.5479911688445185
Energy: 0.6458055872966622
Energy: 0.5479911688448614
Energy: 0.6458055872946041
Energy: 0.5479911688441754
Energy: 0.6458055872942612
Energy: 0.654318763796059
Energy: 0.6411909264965487
Energy: 0.654318763796745
Energy: 0.6411909264962058
Energy: 0.654318763796059
Energy: 0.6411909264975778
Energy: 0.5899624229378975
Energy: 0.6349857207395134
Energy: 0.5899624229368684
Energy: 0.6349857207395134
Energy: 0.5899624229368684
Energy: 0.6349857207391703
Energy: 0.592402136909656
Energy: 0.5705154503151492
Energy: 0.592402136909656
Energy: 0.5705154503178931
Energy: 0.5924021369093131
Energy: 0.5705154503226951
Energy: 0.6794307790084334
Energy: 0.6601864623433691
Energy: 0.6794307790080905
Energy: 0.660186462343026
Energy: 0.6794307790084334
Energy: 0.660186462343026
Energy: 0.5664731599398184
Energy: 0.6192930413703337
Energy: 0.5664569150119435
Energy: 0.6192930413696476
Energy: 0.5664731599398184
Energy: 0.6192930413696476
Energy: 0.6016767761024687
Energy: 0.5839011570140122
Energy: 0.6010429790823002
Energy: 0.5839011570136693
Energy: 0.6016767763054325
Energy: 0.5839011570129833
Energy: 0.6818660414620146
Energy: 0.6631927250908866
Energy: 0.6818622220655773
Energy: 0.6631927250888285
Energy: 0.6818660414620146
Energy: 0.6631927250881424
Energy: 0.6861554353646266
Energy: 0.5450072916264662
Energy: 0.6861554353635976
Energy: 0.5450072916264662
Energy: 0.6861554353635976
Energy: 0.5450072916274953
Energy: 0.5661815302579016
Energy: 0.5502652534798167
Energy: 0.5661815302568727
Energy: 0.5502652534805026
Energy: 0.5661815302579016
Energy: 0.5502652534787876

minimum gb energy = 0.5373541079064665 eV
minimum distance =  2.65177557835961 Angstroms
sigma value = 51


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

Energy: 0.6216118469444207
Energy: 0.623960213636534
Energy: 0.6216118469436259
Energy: 0.623960213636534
Energy: 0.6216118469444207
Energy: 0.623960213636534
Energy: 0.6430380209929492
Energy: 0.593430380349872
Energy: 0.6430380209929492
Energy: 0.593430380349872
Energy: 0.6430380209929492
Energy: 0.593430380349872
Energy: 0.6025790981735443
Energy: 0.6219284958515481
Energy: 0.6025790981735443
Energy: 0.6219284958515481
Energy: 0.6025790981735443
Energy: 0.6219284958507534
Energy: 0.6203086056742955
Energy: 0.5602519751465354
Energy: 0.6203086056742955
Energy: 0.5602519751481249
Energy: 0.6203086056742955
Energy: 0.56025197514733
Energy: 0.6382335508884484
Energy: 0.6194845925303135
Energy: 0.6382335508884484
Energy: 0.6194845925295188
Energy: 0.6382335508884484
Energy: 0.6194845925303135
Energy: 0.6370497199468195
Energy: 0.6250057116327429
Energy: 0.6370497199476142
Energy: 0.6250057116390827
Energy: 0.6370497199476142
Energy: 0.6250057116533879
Energy: 0.6190069172739509
Energy: 0.6045342901408615
Energy: 0.6190069172739509
Energy: 0.6045342901408615
Energy: 0.6190069172739509
Energy: 0.6045342901416562
Energy: 0.5781569499081465
Energy: 0.6185019154215815
Energy: 0.5781569499081465
Energy: 0.6185019154207868
Energy: 0.5781569499081465
Energy: 0.6185019154215815
Energy: 0.702089577950208
Energy: 0.560356113493928
Energy: 0.702089577950208
Energy: 0.560356113493928
Energy: 0.702089577950208
Energy: 0.560356113493928
Energy: 0.56580257229865
Energy: 0.7017286139070826
Energy: 0.56580257229865
Energy: 0.7017286139070826
Energy: 0.56580257229865
Energy: 0.7017286139062879
Energy: 0.676725338033618
Energy: 0.5510825321420082
Energy: 0.676725338033618
Energy: 0.5510825321412135
Energy: 0.676725338033618
Energy: 0.5510825321412135
Energy: 0.6234050478715641
Energy: 0.6245509227269013
Energy: 0.6234050478715641
Energy: 0.6245509227269013
Energy: 0.6234050478715641
Energy: 0.6245509227261066
Energy: 0.6510518990554004
Energy: 0.5927268501458971
Energy: 0.6510518990554004
Energy: 0.5927268501458971
Energy: 0.651051899056195
Energy: 0.5927268501458971
Energy: 0.6131482200630113
Energy: 0.5808360084601705
Energy: 0.6131482200630113
Energy: 0.5808360084601705
Energy: 0.6131482200622166
Energy: 0.5808360084593759
Energy: 0.6292455656392949
Energy: 0.6180367156872452
Energy: 0.6292455656392949
Energy: 0.6180367156872452
Energy: 0.6292455656392949
Energy: 0.6180367156872452
Energy: 0.6387864990727317
Energy: 0.6206040519148261
Energy: 0.6387864990727317
Energy: 0.6206040519140315
Energy: 0.6387864990727317
Energy: 0.6206040519148261
Energy: 0.6385098480478825
Energy: 0.6711290002951915
Energy: 0.6385098480478825
Energy: 0.6711290002951915
Energy: 0.6385098480478825
Energy: 0.6711290002951915
Energy: 0.6200546177678218
Energy: 0.6064759396564647
Energy: 0.6200546177678218
Energy: 0.6064759396564647
Energy: 0.6200546177678218
Energy: 0.6064759396564647

minimum gb energy = 0.5510825321412135 eV
minimum distance =  2.55723471672708 Angstroms
sigma value = 19


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

Energy: 0.5166793999709952
Energy: 0.5308347051987973
Energy: 0.5166793999714666
Energy: 0.5308347051992687
Energy: 0.5166793999705239
Energy: 0.5308347051992687
Energy: 0.6265531892414808
Energy: 0.631736185184046
Energy: 0.6265531892419522
Energy: 0.631736185184046
Energy: 0.6265531892400665
Energy: 0.631736185184046
Energy: 0.5096954009277435
Energy: 0.6309074901128078
Energy: 0.5096954009263291
Energy: 0.630907490111865
Energy: 0.5096954009268007
Energy: 0.630907490111865
Energy: 0.537698633221141
Energy: 0.5096247927670496
Energy: 0.537698633221141
Energy: 0.5096247927675212
Energy: 0.5376986332216124
Energy: 0.5096247927670496
Energy: 0.5096835672432366
Energy: 0.5174751135157603
Energy: 0.5096835672441794
Energy: 0.5174751135035035
Energy: 0.5096835672437081
Energy: 0.51747511351906
Energy: 0.509748256605319
Energy: 0.516825697494057
Energy: 0.5097482566057905
Energy: 0.5168256974926427
Energy: 0.5097482566057905
Energy: 0.5168256974926427
Energy: 0.5376233926614844
Energy: 0.5096236191506258
Energy: 0.537623392661013
Energy: 0.5096236191510972
Energy: 0.5376233926614844
Energy: 0.5096236191510972
Energy: 0.5097082320087519
Energy: 0.6309211513716568
Energy: 0.5097082320073377
Energy: 0.6309211513725997
Energy: 0.5097082320063949
Energy: 0.630921151373071
Energy: 0.6265303238778953
Energy: 0.6316713353733511
Energy: 0.6265303238783668
Energy: 0.6316713353733511
Energy: 0.6265303238774239
Energy: 0.6316713353733511
Energy: 0.5166793999705239
Energy: 0.5308347051992687
Energy: 0.5166793999705239
Energy: 0.5308347051992687
Energy: 0.5166793999705239
Energy: 0.5308347051992687
Energy: 0.6265531892414808
Energy: 0.6317361851835744
Energy: 0.6265531892405379
Energy: 0.6317361851845174
Energy: 0.6265531892405379
Energy: 0.631736185184046
Energy: 0.5096954009263291
Energy: 0.6309074901123364
Energy: 0.5096954009263291
Energy: 0.6309074901132792
Energy: 0.5096954009263291
Energy: 0.6309074901128078
Energy: 0.537698633221141
Energy: 0.5096247927675212
Energy: 0.537698633221141
Energy: 0.5096247927675212
Energy: 0.5376986332216124
Energy: 0.5096247927670496
Energy: 0.5096835672437081
Energy: 0.5174751135793793
Energy: 0.5096835672432366
Energy: 0.5174751135600515
Energy: 0.5096835672437081
Energy: 0.5174751135609942
Energy: 0.5097482566043762
Energy: 0.5168256974917
Energy: 0.5097482566043762
Energy: 0.5168256974935856
Energy: 0.5097482566039048
Energy: 0.5168256974926427
Energy: 0.5376233926614844
Energy: 0.5096236191510972
Energy: 0.5376233926614844
Energy: 0.5096236191510972
Energy: 0.5376233926619557
Energy: 0.5096236191510972
Energy: 0.5097082320078091
Energy: 0.6309211513721283
Energy: 0.5097082320063949
Energy: 0.6309211513721283
Energy: 0.5097082320078091
Energy: 0.6309211513716568
Energy: 0.6265303238793095
Energy: 0.6316713353733511
Energy: 0.6265303238774239
Energy: 0.6316713353733511
Energy: 0.6265303238783668
Energy: 0.6316713353738224
Energy: 0.5166793999705239
Energy: 0.5308347051992687
Energy: 0.5166793999705239
Energy: 0.5308347051992687
Energy: 0.5166793999705239
Energy: 0.5308347051992687
Energy: 0.6265531892410093
Energy: 0.631736185184046
Energy: 0.6265531892405379
Energy: 0.6317361851845174
Energy: 0.6265531892405379
Energy: 0.6317361851845174
Energy: 0.5096954009268007
Energy: 0.6309074901132792
Energy: 0.5096954009272721
Energy: 0.6309074901128078
Energy: 0.5096954009263291
Energy: 0.6309074901123364
Energy: 0.5376986332216124
Energy: 0.5096247927675212
Energy: 0.5376986332216124
Energy: 0.5096247927670496
Energy: 0.5376986332216124
Energy: 0.5096247927675212
Energy: 0.5096835672432366
Energy: 0.5174751137004677
Energy: 0.5096835672441794
Energy: 0.5174751136976393
Energy: 0.5096835672441794
Energy: 0.517475113699525
Energy: 0.5097482566020192
Energy: 0.5168256974912286
Energy: 0.5097482566039048
Energy: 0.5168256974921714
Energy: 0.5097482566043762
Energy: 0.5168256974921714
Energy: 0.5376233926619557
Energy: 0.5096236191510972
Energy: 0.5376233926614844
Energy: 0.5096236191510972
Energy: 0.5376233926614844
Energy: 0.5096236191510972
Energy: 0.5097082320068663
Energy: 0.6309211513716568
Energy: 0.5097082320068663
Energy: 0.6309211513721283
Energy: 0.5097082320068663
Energy: 0.6309211513725997
Energy: 0.6265303238778953
Energy: 0.6316713353733511
Energy: 0.6265303238783668
Energy: 0.6316713353733511
Energy: 0.6265303238793095
Energy: 0.6316713353733511
Energy: 0.5166793999700524
Energy: 0.5308347051992687
Energy: 0.5166793999705239
Energy: 0.5308347051987973
Energy: 0.5166793999705239
Energy: 0.5308347051992687
Energy: 0.6265531892414808
Energy: 0.631736185184046
Energy: 0.6265531892410093
Energy: 0.631736185184046
Energy: 0.6265531892410093
Energy: 0.631736185184046
Energy: 0.5096954009268007
Energy: 0.6309074901128078
Energy: 0.5096954009272721
Energy: 0.6309074901123364
Energy: 0.5096954009268007
Energy: 0.6309074901128078

minimum gb energy = 0.5096236191506258 eV
minimum distance =  2.56403367268035 Angstroms
sigma value = 27


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

Energy: 0.5280340876107557
Energy: 0.5112661940024347
Energy: 0.5280340876096009
Energy: 0.5112661940024347
Energy: 0.5280340876096009
Energy: 0.5112661940024347
Energy: 0.534362784989049
Energy: 0.5225961115799631
Energy: 0.5343627847235951
Energy: 0.5225961115799631
Energy: 0.5343627850698529
Energy: 0.5225961115799631
Energy: 0.5334912892675386
Energy: 0.576347986607399
Energy: 0.5334912892675386
Energy: 0.5763479866050895
Energy: 0.5334912892675386
Energy: 0.576347986607399
Energy: 0.6337070319072531
Energy: 0.5056937906555191
Energy: 0.6337070319072531
Energy: 0.5056937906555191
Energy: 0.6337070319072531
Energy: 0.5056937906555191
Energy: 0.6385181221820961
Energy: 0.5037576687633808
Energy: 0.6385181221809415
Energy: 0.5037576687633808
Energy: 0.6385181221809415
Energy: 0.5037576687633808
Energy: 0.6061226841205343
Energy: 0.6232117154432456
Energy: 0.6061226841205343
Energy: 0.6232117154444003
Energy: 0.6061226841205343
Energy: 0.6232117154444003
Energy: 0.574242763987988
Energy: 0.5245724322346335
Energy: 0.5742427639868333
Energy: 0.5245724322346335
Energy: 0.574242763987988
Energy: 0.5245724322346335
Energy: 0.5303218118985155
Energy: 0.5130511848353732
Energy: 0.5303218118985155
Energy: 0.5130511848353732
Energy: 0.5303218118985155
Energy: 0.5130511848353732
Energy: 0.6414201543522235
Energy: 0.5303419391916463
Energy: 0.6414201543522235
Energy: 0.5303419391939557
Energy: 0.6414201543510689
Energy: 0.5303419391928009
Energy: 0.5587447543489282
Energy: 0.6346329082662865
Energy: 0.5587447543500829
Energy: 0.6346329082662865
Energy: 0.5587447543500829
Energy: 0.6346329082662865
Energy: 0.6600040513984659
Energy: 0.5032229265109489
Energy: 0.51117860591207
Energy: 0.5032229265109489
Energy: 0.5111786059132247
Energy: 0.5032229265109489
Energy: 0.616374203784009
Energy: 0.5793164795697263
Energy: 0.616374203784009
Energy: 0.5793164795639526
Energy: 0.6163742037828541
Energy: 0.5793164795466319

minimum gb energy = 0.5032229265109489 eV
minimum distance =  2.549899658488 Angstroms
sigma value = 9


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

Energy: 0.5435011164138093
Energy: 0.5121360033771925
Energy: 0.5435011164134849
Energy: 0.5121360033765435
Energy: 0.5435011164134849
Energy: 0.5121360033771925
Energy: 0.5269628460552994
Energy: 0.5115578369828976
Energy: 0.5269628460530282
Energy: 0.5254420199940711
Energy: 0.5269628460546505
Energy: 0.5115578369871154
Energy: 0.4814931560440276
Energy: 0.6314788546725254
Energy: 0.4814931560450009
Energy: 0.6314788546832322
Energy: 0.4814931560433787
Energy: 0.6314788546757699
Energy: 0.47835882327055
Energy: 0.47514221909642695
Energy: 0.4783588232695766
Energy: 0.47514221909642695
Energy: 0.47835882327022555
Energy: 0.47514221909545357
Energy: 0.5224032584533796
Energy: 0.5001551548239225
Energy: 0.5224032584533796
Energy: 0.5001551548242469
Energy: 0.5224032584530552
Energy: 0.5001551548242469
Energy: 0.5388107464916669
Energy: 0.5223505272551718
Energy: 0.5388107465283295
Energy: 0.5583344364807291
Energy: 0.5388107465928651
Energy: 0.5427975059447665
Energy: 0.502733751262088
Energy: 0.537410237758019
Energy: 0.5027337512624125
Energy: 0.5374102377576946
Energy: 0.5027337512617636
Energy: 0.5374102377583435
Energy: 0.4620493270761031
Energy: 0.5400497647523727
Energy: 0.4620493270761031
Energy: 0.5400497647523727
Energy: 0.46204932707577867
Energy: 0.5400497647523727
Energy: 0.5977523399482383
Energy: 0.5006218369785491
Energy: 0.5977523399482383
Energy: 0.5006218369863358
Energy: 0.5977523399414248
Energy: 0.5006218369782246
Energy: 0.5220719110015557
Energy: 0.6279150788104433
Energy: 0.5220719110025291
Energy: 0.6279150788068744
Energy: 0.5220719110018802
Energy: 0.62791507880947
Energy: 0.47969763497599727
Energy: 0.47282136277833264
Energy: 0.4796976349756728
Energy: 0.472821362779306
Energy: 0.47969763497599727
Energy: 0.4728213627796304
Energy: 0.49870383393698586
Energy: 0.5479233277894459
Energy: 0.4987038339376348
Energy: 0.5479233277900948
Energy: 0.49870383393698586
Energy: 0.547923327788797
Energy: 0.5162757132717558
Energy: 0.5379716483008807
Energy: 0.5162757132694846
Energy: 0.5379716483015295
Energy: 0.5162757132714314
Energy: 0.5379716483012051
Energy: 0.5526548896627347
Energy: 0.6411014106054732
Energy: 0.5526548896627347
Energy: 0.6411014106054732
Energy: 0.5526548896627347
Energy: 0.6411014106054732
Energy: 0.47374880908903766
Energy: 0.5219598873669213
Energy: 0.47374880908903766
Energy: 0.5219598873665969
Energy: 0.47374880908903766
Energy: 0.5219598873665969
Energy: 0.4973863540736048
Energy: 0.5198387385582581
Energy: 0.49738635407847154
Energy: 0.5198387385579336
Energy: 0.49738635407133375
Energy: 0.5198387385572848
Energy: 0.6150949098782956
Energy: 0.47312098828419885
Energy: 0.6150949098779711
Energy: 0.4731209882835499
Energy: 0.6150949098786201
Energy: 0.4731209882835499
Energy: 0.4787230376391631
Energy: 0.4983999500899966
Energy: 0.47872303763948754
Energy: 0.4983999500899966
Energy: 0.47872303763948754
Energy: 0.4983999500899966
Energy: 0.46469477684832583
Energy: 0.6127255148425063
Energy: 0.46469477684832583
Energy: 0.6127255148418573
Energy: 0.46469477684832583
Energy: 0.6127255148421817
Energy: 0.6126907801207924
Energy: 0.5758714748513531
Energy: 0.6126907801207924
Energy: 0.5758714748516776
Energy: 0.612690780120468
Energy: 0.5625142924442919
Energy: 0.46473321044176263
Energy: 0.6098344129352717
Energy: 0.46473321044176263
Energy: 0.6098344129352717
Energy: 0.46473321044176263
Energy: 0.6098344129355961
Energy: 0.4787679719364597
Energy: 0.4983988165547071
Energy: 0.4787679719371086
Energy: 0.4983988165543827
Energy: 0.47876797193678416
Energy: 0.4983988165543827
Energy: 0.6151060058785471
Energy: 0.47312841952970014
Energy: 0.6151060058785471
Energy: 0.47312841952970014
Energy: 0.6151060058782226
Energy: 0.473128419530349
Energy: 0.5035621222928112
Energy: 0.5353671243284017
Energy: 0.5035621222931356
Energy: 0.5353671243024459
Energy: 0.5035621222924868
Energy: 0.5353671242738945
Energy: 0.4737257531458876
Energy: 0.52215218070497
Energy: 0.4737257531458876
Energy: 0.52215218070497
Energy: 0.4737257531462121
Energy: 0.5221521807046455
Energy: 0.5526160772375659
Energy: 0.5506580299465939
Energy: 0.5526160772375659
Energy: 0.5506580299465939
Energy: 0.5526160772378903
Energy: 0.5506580299465939
Energy: 0.5162911056788084
Energy: 0.5377929991066799
Energy: 0.5162911056797816
Energy: 0.5377929991073288
Energy: 0.5162911056869196
Energy: 0.5377929991073288
Energy: 0.49876976679606977
Energy: 0.5091662150574178
Energy: 0.4987697667963943
Energy: 0.5091662150577422
Energy: 0.4987697667963943
Energy: 0.5091662150577422
Energy: 0.47970533115940783
Energy: 0.4728132820881869
Energy: 0.4797053311597323
Energy: 0.4728132820881869
Energy: 0.47970533115940783
Energy: 0.4728132820881869
Energy: 0.5225398598002963
Energy: 0.5393632216836239
Energy: 0.5225398598002963
Energy: 0.5393632216907618
Energy: 0.5225398597999719
Energy: 0.5393632214128281
Energy: 0.5965744216285402
Energy: 0.5283570156874982
Energy: 0.5965744216262691
Energy: 0.5283570156894448
Energy: 0.5965744216265935
Energy: 0.5283570156871736
Energy: 0.46205264873573665
Energy: 0.5334820875299262
Energy: 0.46205264873508783
Energy: 0.5334820875299262
Energy: 0.46205264873541224
Energy: 0.5334820875296018
Energy: 0.5026846499616515
Energy: 0.53775221905698
Energy: 0.5026846499632738
Energy: 0.5377522190573045
Energy: 0.502684649961976
Energy: 0.53775221905698
Energy: 0.5292928353744405
Energy: 0.5430886805637828
Energy: 0.5292869970776476
Energy: 0.5430886805637828
Energy: 0.5292912641291295
Energy: 0.5430886805634584
Energy: 0.5223178058003464
Energy: 0.4994647297961731
Energy: 0.5223178058006709
Energy: 0.49946472979714646
Energy: 0.5223178058009953
Energy: 0.4994647297974709
Energy: 0.47835860824428744
Energy: 0.4752103187562678
Energy: 0.47835860824493637
Energy: 0.4752103187585389
Energy: 0.47835860824493637
Energy: 0.4752103187585389
Energy: 0.4814121981659107
Energy: 0.6310906055257602
Energy: 0.4814121981652619
Energy: 0.6310906055251114
Energy: 0.4814121981659107
Energy: 0.6310906055257602
Energy: 0.5274211337187215
Energy: 0.519062533734862
Energy: 0.5274211337200193
Energy: 0.519062533734862
Energy: 0.5274211337187215
Energy: 0.519062533734862
Energy: 0.5435011164144582
Energy: 0.5121360033762191
Energy: 0.5435011164141337
Energy: 0.5121360033762191
Energy: 0.5435011164141337
Energy: 0.5121360033762191
Energy: 0.5269628460527038
Energy: 0.511557836992631
Energy: 0.5269628460523793
Energy: 0.51155783699328
Energy: 0.5269628460536772
Energy: 0.5115578369936044
Energy: 0.48149315604175646
Energy: 0.6314788540384957
Energy: 0.4814931560433787
Energy: 0.6314788539976447
Energy: 0.4814931560430543
Energy: 0.6314788540339534
Energy: 0.4783588232708744
Energy: 0.475142219098698
Energy: 0.47835882327022555
Energy: 0.4751422190983736
Energy: 0.47835882327055
Energy: 0.47514221909902254
Energy: 0.5224032584530552
Energy: 0.5001551548239225
Energy: 0.5224032584530552
Energy: 0.500155154823598
Energy: 0.5224032584533796
Energy: 0.500155154823598

minimum gb energy = 0.46204932707577867 eV
minimum distance =  2.63492619346483 Angstroms
sigma value = 57


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

Energy: 0.32790799732411896
Energy: 0.31921745067971274
Energy: 0.2825711266691167
Energy: 0.31921745068045126
Energy: 0.32790799732411896
Energy: 0.31921745067971274
Energy: 0.37855062994181665
Energy: 0.31476270545335533
Energy: 0.37855062994181665
Energy: 0.3147627054526167
Energy: 0.3785506299410781
Energy: 0.31476270545335533
Energy: 0.33596592922372553
Energy: 0.46615713312653595
Energy: 0.33596592922372553
Energy: 0.466157133082961
Energy: 0.33596592922372553
Energy: 0.4661571330807453
Energy: 0.32095904682089876
Energy: 0.28268191882602184
Energy: 0.32095904682089876
Energy: 0.28268191882602184
Energy: 0.32095904682089876
Energy: 0.2826819188252833
Energy: 0.34099042144002684
Energy: 0.3752966084713969
Energy: 0.34099042144002684
Energy: 0.3752966084721354
Energy: 0.34099042144002684
Energy: 0.3752966084721354
Energy: 0.28281192752211526
Energy: 0.3401676945364617
Energy: 0.28281192752211526
Energy: 0.34016769453575674
Energy: 0.28281192752211526
Energy: 0.3401676945364617
Energy: 0.2827996319485856
Energy: 0.306694205850873
Energy: 0.2827996319485856
Energy: 0.306694205850873
Energy: 0.2827996319485856
Energy: 0.3066942058516116
Energy: 0.37600879254674313
Energy: 0.340329252439549
Energy: 0.3760087925474817
Energy: 0.34032925244028756
Energy: 0.37600879254674313
Energy: 0.34032925244028756
Energy: 0.3208340507221281
Energy: 0.2826879957303145
Energy: 0.3208340507221281
Energy: 0.2826879957303145
Energy: 0.3208340507221281
Energy: 0.28268799573179165
Energy: 0.30271999823769147
Energy: 0.3727504329531627
Energy: 0.30271999823843004
Energy: 0.3727504329531627
Energy: 0.30271999823769147
Energy: 0.3727504329524241
Energy: 0.3419739415933694
Energy: 0.3148125671306426
Energy: 0.3419739415933694
Energy: 0.31481256713138117
Energy: 0.3419739415933694
Energy: 0.3148125671306426
Energy: 0.3279079973233804
Energy: 0.31921745067897417
Energy: 0.2825711266691167
Energy: 0.31921745067897417
Energy: 0.3279079973233804
Energy: 0.31921745067897417
Energy: 0.3785506299410781
Energy: 0.31476270545335533
Energy: 0.3785506299410781
Energy: 0.31476270545335533
Energy: 0.3785506299410781
Energy: 0.31476270545335533
Energy: 0.33596592922372553
Energy: 0.46615713322691305
Energy: 0.33596592922446405
Energy: 0.46615713320552843
Energy: 0.33596592922372553
Energy: 0.46615713319001856
Energy: 0.32095904682089876
Energy: 0.28268191882454474
Energy: 0.32095904682089876
Energy: 0.28268191882454474
Energy: 0.32095904682089876
Energy: 0.28268191882380617
Energy: 0.34099042144002684
Energy: 0.3752966084713969
Energy: 0.34099042143928826
Energy: 0.3752966084721354
Energy: 0.34099042144002684
Energy: 0.3752966084713969
Energy: 0.2828119275213767
Energy: 0.34016769453501816
Energy: 0.28281192752211526
Energy: 0.34016769453501816
Energy: 0.2828119275213767
Energy: 0.3401676945364617
Energy: 0.2827996319485856
Energy: 0.3066942058516116
Energy: 0.2827996319478471
Energy: 0.306694205850873
Energy: 0.2827996319485856
Energy: 0.3066942058516116
Energy: 0.37600879254600456
Energy: 0.340329252439549
Energy: 0.3760087925474817
Energy: 0.340329252439549
Energy: 0.37600879254674313
Energy: 0.34032925244028756

minimum gb energy = 0.2825711266691167 eV
minimum distance =  2.74662625494116 Angstroms
sigma value = 11


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

Energy: 0.4956499219756421
Energy: 0.4956052235849656
Energy: 0.4956499219848393
Energy: 0.4956052235849656
Energy: 0.49564992197672414
Energy: 0.4956052235849656
Energy: 0.5657445125586058
Energy: 0.479831740728739
Energy: 0.5657445125510316
Energy: 0.479831740728739
Energy: 0.5657445125623929
Energy: 0.479831740728739
Energy: 0.5024896245600436
Energy: 0.596142905366366
Energy: 0.5024896245605845
Energy: 0.596142905366366
Energy: 0.5024896245600436
Energy: 0.596142905366366
Energy: 0.5674066838872214
Energy: 0.49417626401258835
Energy: 0.5674066839396993
Energy: 0.49417626401204734
Energy: 0.5674066838985825
Energy: 0.4941762640136704
Energy: 0.48623557211290874
Energy: 0.43618287097157055
Energy: 0.48623557211290874
Energy: 0.43618287097102953
Energy: 0.48623557211290874
Energy: 0.43618287097157055
Energy: 0.5089198343112782
Energy: 0.47119814240155766
Energy: 0.5089201006700599
Energy: 0.47119814240155766
Energy: 0.5089202278142151
Energy: 0.47119814240155766
Energy: 0.4530948471115947
Energy: 0.4997970762540529
Energy: 0.4530948471115947
Energy: 0.49979707745942287
Energy: 0.4530948471115947
Energy: 0.49979707735992623
Energy: 0.48545386406595986
Energy: 0.43522283641681614
Energy: 0.48545386406595986
Energy: 0.43522283641681614
Energy: 0.48545386406595986
Energy: 0.43522283641735704
Energy: 0.48657685856659905
Energy: 0.4329692735934889
Energy: 0.48657685856551697
Energy: 0.4329692735934889
Energy: 0.48657685856605803
Energy: 0.4329692735934889
Energy: 0.43571880093090687
Energy: 0.56763725065266
Energy: 0.43571880093090687
Energy: 0.5676372506521191
Energy: 0.43571880093090687
Energy: 0.567637250651037
Energy: 0.5702569405431314
Energy: 0.5720675542637258
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Energy: 0.5720675542642668
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Energy: 0.5720675542637258
Energy: 0.47891129463626075
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Energy: 0.5103514582193448
Energy: 0.5833455706134216
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Energy: 0.5833455706134216
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Energy: 0.5517618913891298
Energy: 0.4817710208781594
Energy: 0.5517618913988188
Energy: 0.4817710208781594
Energy: 0.5517618914004419
Energy: 0.4817710208781594
Energy: 0.4976544963815103
Energy: 0.4924798284324984
Energy: 0.49765449638096937
Energy: 0.4924798284324984
Energy: 0.4976544963815103
Energy: 0.4924798284330394
Energy: 0.45423439145706745
Energy: 0.4794528111802349
Energy: 0.45423439145760847
Energy: 0.47945281118077593
Energy: 0.4542343914559854
Energy: 0.47945281118077593
Energy: 0.5779056925509638
Energy: 0.5815434435007243
Energy: 0.5779056925515048
Energy: 0.5815434433066001
Energy: 0.5779056925515048
Energy: 0.5815434433125511
Energy: 0.5047939599714835
Energy: 0.4731919258403948
Energy: 0.5047939599660733
Energy: 0.4731919258403948
Energy: 0.5047939599714835
Energy: 0.4731919258403948
Energy: 0.49056830123384976
Energy: 0.45727109063529764
Energy: 0.49056830123330875
Energy: 0.4572710906363796
Energy: 0.49056830123384976
Energy: 0.45727109063529764
Energy: 0.4357811624512107
Energy: 0.47811640402373196
Energy: 0.43578116245066967
Energy: 0.4781164040204858
Energy: 0.4357811624501287
Energy: 0.4781164040210268
Energy: 0.4775029325306507
Energy: 0.5667311135726372
Energy: 0.4775029325290276
Energy: 0.5667311139365893
Energy: 0.47750293252799475
Energy: 0.5667311137294808
Energy: 0.4867134231451185
Energy: 0.49633849816562314
Energy: 0.4867134231451185
Energy: 0.49633849819862474
Energy: 0.4867134231462005
Energy: 0.4963384981699513
Energy: 0.4886337299379679
Energy: 0.4611782809662219
Energy: 0.4886337299385089
Energy: 0.46117828096568086
Energy: 0.4886337299385089
Energy: 0.4611782809662219
Energy: 0.4363909023975369
Energy: 0.5608641954528966
Energy: 0.436390902398078
Energy: 0.5608641954534375
Energy: 0.436390902398078
Energy: 0.5608641954534375
Energy: 0.6570442687275939
Energy: 0.5747248615673217
Energy: 0.6570442687275939
Energy: 0.5747248615678626
Energy: 0.657044268728676
Energy: 0.5747248615667807

minimum gb energy = 0.4329692735934889 eV
minimum distance =  2.62389036179848 Angstroms
sigma value = 41


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

Energy: 0.540335693827969
Energy: 0.4686525835225277
Energy: 0.540335693827969
Energy: 0.4686525835225277
Energy: 0.540335693827969
Energy: 0.4686525835225277
Energy: 0.5768077012119857
Energy: 0.5234806904668813
Energy: 0.5768077012124122
Energy: 0.523480690467734
Energy: 0.5768077012128385
Energy: 0.5234806904673076
Energy: 0.5953617058467201
Energy: 0.5832516286432342
Energy: 0.5953617058471464
Energy: 0.5832516286436608
Energy: 0.5953617058467201
Energy: 0.5832516286432342
Energy: 0.5544893841958273
Energy: 0.4612857523644328
Energy: 0.5544893841949744
Energy: 0.4612857523640063
Energy: 0.5544893841949744
Energy: 0.4612857523640063
Energy: 0.4499538417768709
Energy: 0.48324325502687093
Energy: 0.4499538417768709
Energy: 0.4832432550277237
Energy: 0.4499538417768709
Energy: 0.48324325502729737
Energy: 0.536298014810349
Energy: 0.5837234906744038
Energy: 0.5362980148107754
Energy: 0.5837234906744038
Energy: 0.5362980148116281
Energy: 0.5837234906744038
Energy: 0.4843228760796907
Energy: 0.5921291718376822
Energy: 0.4843228760796907
Energy: 0.5921291718376822
Energy: 0.4843228760796907
Energy: 0.5921291718372558
Energy: 0.4601317365273287
Energy: 0.46129768641273694
Energy: 0.4601317365273287
Energy: 0.46129768641273694
Energy: 0.46013173652690226
Energy: 0.46129768641273694
Energy: 0.45029337890322374
Energy: 0.46171198342023095
Energy: 0.4502933789027973
Energy: 0.46171198342023095
Energy: 0.45029337890322374
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Energy: 0.5602158103410918
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Energy: 0.5602158103406655
Energy: 0.5389421559212525
Energy: 0.560215810340239
Energy: 0.5389421559208261
Energy: 0.526840965561863
Energy: 0.5379123408776267
Energy: 0.5268409655622893
Energy: 0.5379123408772003
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Energy: 0.5379123408772003
Energy: 0.45109648689323717
Energy: 0.5136106692540297
Energy: 0.45109648689323717
Energy: 0.5236521469480512
Energy: 0.4510964868928107
Energy: 0.4959908965214205
Energy: 0.46172766396162085
Energy: 0.46265781622810664
Energy: 0.46172766396162085
Energy: 0.4626578162285331
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Energy: 0.4486420540724583
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Energy: 0.4486420540724583
Energy: 0.5281831824842383
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Energy: 0.5368229769517078
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Energy: 0.5368229769504287
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Energy: 0.45150343629074235
Energy: 0.5189128351460105
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Energy: 0.45150343629074235
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Energy: 0.46056881428072877
Energy: 0.4626880089387276
Energy: 0.46056881428072877
Energy: 0.4626880089387276
Energy: 0.46056881428072877
Energy: 0.4626880089391539
Energy: 0.5371926230622099
Energy: 0.5843029413463245
Energy: 0.5371926230622099
Energy: 0.584302941346751
Energy: 0.5371926230622099
Energy: 0.5843029413458982
Energy: 0.569513117660871
Energy: 0.522743264970522
Energy: 0.5695131176889946
Energy: 0.522743264970522
Energy: 0.5695131176502107
Energy: 0.522743264970522
Energy: 0.5443645859294257
Energy: 0.5502673120899013
Energy: 0.5443645859294257
Energy: 0.5502673120899013
Energy: 0.5443645859302785
Energy: 0.5725798207991597
Energy: 0.4509625293237107
Energy: 0.54793602845813
Energy: 0.4509625293237107
Energy: 0.5479360284585565
Energy: 0.4509625293241371
Energy: 0.5479360284589635
Energy: 0.6388469312718792
Energy: 0.5745261236635882
Energy: 0.6388469312718792
Energy: 0.5745261236657202
Energy: 0.6388469312723056
Energy: 0.5745261236810709
Energy: 0.5201778128388214
Energy: 0.46196074153923666
Energy: 0.5201778128379685
Energy: 0.4619607415388103
Energy: 0.5201778128383949
Energy: 0.4619607415388103
Energy: 0.4513415112879583
Energy: 0.5414771029411265
Energy: 0.4513415112879583
Energy: 0.5414771029415529
Energy: 0.4513415112879583
Energy: 0.5414771029415529
Energy: 0.44581547595310356
Energy: 0.5380336172984338
Energy: 0.44581547595310356
Energy: 0.5380336172984338
Energy: 0.44581547595310356
Energy: 0.5380336172984338
Energy: 0.48318969906954445
Energy: 0.4850768230647086
Energy: 0.48318969906954445
Energy: 0.4850768230647086
Energy: 0.4831896990691181
Energy: 0.4850768230647086
Energy: 0.46277968172811973
Energy: 0.4619796999504475
Energy: 0.4627796817276933
Energy: 0.4619796999504475
Energy: 0.4627796817276933
Energy: 0.4619796999504475
Energy: 0.45128358092613724
Energy: 0.553243883044233
Energy: 0.45128358092571086
Energy: 0.5532438830446594
Energy: 0.45128358092613724
Energy: 0.553243883044233
Energy: 0.5496418367103554
Energy: 0.550269960324773
Energy: 0.5496418367112083
Energy: 0.5502699603439418
Energy: 0.5496418367116347
Energy: 0.5502699603315955
Energy: 0.5705023699133284
Energy: 0.4456264362805175
Energy: 0.5705023699133284
Energy: 0.44562643628009113
Energy: 0.570502369915034
Energy: 0.4456264362758271
Energy: 0.44710902006753317
Energy: 0.49796251314088724
Energy: 0.44710902006753317
Energy: 0.49796251314046086
Energy: 0.44710902006753317
Energy: 0.49796251314046086
Energy: 0.46076573264688064
Energy: 0.46112994799513324
Energy: 0.46076573264688064
Energy: 0.4611299479955597
Energy: 0.46076573264688064
Energy: 0.46112994799513324
Energy: 0.4454313962306938
Energy: 0.5208270229754327
Energy: 0.4454313962306938
Energy: 0.5208270229758593
Energy: 0.4454313962306938
Energy: 0.5208270229758593

minimum gb energy = 0.4454313962306938 eV
minimum distance =  2.63625044473568 Angstroms
sigma value = 33


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

Energy: 0.4886999526479106
Energy: 0.47011537051528446
Energy: 0.4886999526479106
Energy: 0.47011537051558383
Energy: 0.4886999526482098
Energy: 0.47011537051588304
Energy: 0.6286430919612798
Energy: 0.4631203945197155
Energy: 0.6286430916642533
Energy: 0.4631203945194162
Energy: 0.6286430921838182
Energy: 0.4631203945194162
Energy: 0.6151002029690015
Energy: 0.70877480678962
Energy: 0.6151002029681037
Energy: 0.7087748067767519
Energy: 0.6151002029675053
Energy: 0.7087748053442617
Energy: 0.5948217377666781
Energy: 0.46976834678284213
Energy: 0.5948217377669774
Energy: 0.4697683467834407
Energy: 0.5948217377684737
Energy: 0.4697683467831414
Energy: 0.4653729508894088
Energy: 0.6081285937235171
Energy: 0.46537295088881026
Energy: 0.6081285937232178
Energy: 0.4653729508891095
Energy: 0.6081285937220207
Energy: 0.6105306724216197
Energy: 0.4760112145071749
Energy: 0.6105306724210212
Energy: 0.4760112145074741
Energy: 0.6105306724210212
Energy: 0.4760112145071749
Energy: 0.5122908917626491
Energy: 0.5788064545933292
Energy: 0.5122908917629483
Energy: 0.5788064545903367
Energy: 0.5122908917635468
Energy: 0.5788064545882419
Energy: 0.5381352140254467
Energy: 0.6017791332084361
Energy: 0.5381352140272152
Energy: 0.6017791332093338
Energy: 0.5381352140269159
Energy: 0.6017791332093338
Energy: 0.6353211234858321
Energy: 0.47511450720639475
Energy: 0.6353211234861315
Energy: 0.47511450720609555
Energy: 0.6353211234861315
Energy: 0.47511450720609555
Energy: 0.615819747750894
Energy: 0.4750736800127576
Energy: 0.6158197477410184
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Energy: 0.6158197477496968
Energy: 0.475073680013057
Energy: 0.5231625664672632
Energy: 0.5544427428131349
Energy: 0.5231625664678345
Energy: 0.554442742812237
Energy: 0.5231625664675352
Energy: 0.554442742811938
Energy: 0.6081410462889029
Energy: 0.46947022675441724
Energy: 0.6081410462889029
Energy: 0.46947022675351946
Energy: 0.6081410462886037
Energy: 0.4694702267538188
Energy: 0.4759236811512823
Energy: 0.6162621028836153
Energy: 0.4759236811518809
Energy: 0.6162621028842138
Energy: 0.47592368115158157
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Energy: 0.5876996242861127
Energy: 0.545267115781929
Energy: 0.5876996242897038
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Energy: 0.5876996242870105
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Energy: 0.5656666508655761
Energy: 0.5125145902378712
Energy: 0.5656666508649775
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Energy: 0.5656666508652768
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Energy: 0.4766555273148195
Energy: 0.6058136917361727
Energy: 0.4766555273145203
Energy: 0.6058136917361727
Energy: 0.4766555273151189
Energy: 0.6058136917334794
Energy: 0.613009468046243
Energy: 0.46594662332110026
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Energy: 0.46594662332080106
Energy: 0.6130094680453453
Energy: 0.46594662332110026
Energy: 0.45884161109061444
Energy: 0.5211646278375518
Energy: 0.4588416110903151
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Energy: 0.5211646278414422
Energy: 0.6317174145846266
Energy: 0.6122141262747133
Energy: 0.6317174145822325
Energy: 0.6122141262744142
Energy: 0.6317174145840281
Energy: 0.6122141262747133
Energy: 0.6172234962783593
Energy: 0.47829753429494776
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Energy: 0.6172234962771623
Energy: 0.4782975342946485
Energy: 0.4707675099026665
Energy: 0.48921922693215963
Energy: 0.47076750990296573
Energy: 0.48921922693156106
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Energy: 0.4892192269342544
Energy: 0.46331407796073376
Energy: 0.5744121970724986
Energy: 0.4633140779604345
Energy: 0.574412199259389
Energy: 0.46331407796103297
Energy: 0.5744121991624842
Energy: 0.5677918988142459
Energy: 0.5494700384208302
Energy: 0.5677918988124503
Energy: 0.5494700384214287
Energy: 0.5677918988148445
Energy: 0.5494700384214287
Energy: 0.46788824234695514
Energy: 0.6177485188163566
Energy: 0.4678882423457581
Energy: 0.6177485188160574
Energy: 0.46788824234426185
Energy: 0.6177485188160574
Energy: 0.637545146350336
Energy: 0.4660624688605346
Energy: 0.6375451463497374
Energy: 0.4660624688617316
Energy: 0.6375451463482411
Energy: 0.46606246886083386
Energy: 0.47110486616238917
Energy: 0.5876609360594144
Energy: 0.4711048661617907
Energy: 0.587660936057918
Energy: 0.4711048661626885
Energy: 0.5876609360588159
Energy: 0.5711837433143382
Energy: 0.5110393906446746
Energy: 0.5711837413102123
Energy: 0.5110393906443755
Energy: 0.5711837434920155
Energy: 0.511039390644974
Energy: 0.49087792727334256
Energy: 0.47268732971181526
Energy: 0.49087792727035
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Energy: 0.6156578433877397
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Energy: 0.476556922920759
Energy: 0.61978125478644
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Energy: 0.4753212325504049
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Energy: 0.5675915778378583
Energy: 0.5217854413535756
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Energy: 0.5675428610895722
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Energy: 0.5221791339843224
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Energy: 0.6147061633933275
Energy: 0.4753249886173575
Energy: 0.6147061633939261
Energy: 0.4753249886170583
Energy: 0.6147061633933275
Energy: 0.4753249886173575
Energy: 0.4679132080130661
Energy: 0.6099861348422174
Energy: 0.4679132080130661
Energy: 0.6099861348422174
Energy: 0.4679132080130661
Energy: 0.6099861348419182
Energy: 0.5185241885981325
Energy: 0.46081354384768314
Energy: 0.5185241885981325
Energy: 0.4608135438464861
Energy: 0.518524188598432
Energy: 0.4608135438479824
Energy: 0.47657151575662116
Energy: 0.6195572688014785
Energy: 0.4765715157557234
Energy: 0.619557268799683
Energy: 0.4765715157563218
Energy: 0.6195572687999823
Energy: 0.4758533935130066
Energy: 0.6162138048287384
Energy: 0.4758533935130066
Energy: 0.6162138048290376
Energy: 0.4758533935130066
Energy: 0.6162138048290376
Energy: 0.49105187905152453
Energy: 0.47278488833870874
Energy: 0.491051879052123
Energy: 0.4727848883384094
Energy: 0.4910518790518238
Energy: 0.47278488833990573
Energy: 0.5742647225335664
Energy: 0.5109816304567008
Energy: 0.574264722535362
Energy: 0.5109816304564015
Energy: 0.5742647225335664
Energy: 0.5109816304564015
Energy: 0.47126001516224725
Energy: 0.5881705880536503
Energy: 0.47126001516224725
Energy: 0.588170588052154
Energy: 0.47126001516284577
Energy: 0.588170588050957
Energy: 0.6349501653357346
Energy: 0.4659929207807593
Energy: 0.6349501653345374
Energy: 0.46599292078016075
Energy: 0.6349501653348368
Energy: 0.46599292078045995
Energy: 0.4679048915261558
Energy: 0.6168331840076949
Energy: 0.46790489152585646
Energy: 0.6168331840073956
Energy: 0.4679048915255572
Energy: 0.6168331840076949
Energy: 0.5674987905259028
Energy: 0.5493046500292424
Energy: 0.5674987905259028
Energy: 0.5493046500307388
Energy: 0.5674987905253044
Energy: 0.5493046500298411
Energy: 0.463151298217275
Energy: 0.5714875637219857
Energy: 0.463151298217275
Energy: 0.571487563724679
Energy: 0.463151298217275
Energy: 0.5714875637219857

minimum gb energy = 0.4588416110903151 eV
minimum distance =  2.57391333111596 Angstroms
sigma value = 67


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

Energy: 0.4414110010170967
Energy: 0.4283599843588922
Energy: 0.44141100101730124
Energy: 0.42835998435930134
Energy: 0.4414110010170967
Energy: 0.4283599843590968
Energy: 0.40505722259241417
Energy: 0.39195969697669625
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Energy: 0.3919596969764917
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Energy: 0.3919596969764917
Energy: 0.6763687638540379
Energy: 0.6311510701250425
Energy: 0.7818429430483647
Energy: 0.6311510701250425
Energy: 0.5004630501629792
Energy: 0.631151070125247
Energy: 0.40505135673514303
Energy: 0.39194327342097696
Energy: 0.4050513567349385
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Energy: 0.40505135673514303
Energy: 0.39194327342097696
Energy: 0.44141100101730124
Energy: 0.4283599843600968
Energy: 0.44141100101730124
Energy: 0.4283599843597104
Energy: 0.44141100101730124
Energy: 0.4283599843595059
Energy: 0.40505722259241417
Energy: 0.3919596969764917
Energy: 0.40505722259241417
Energy: 0.39195969697628713
Energy: 0.40505722259261867
Energy: 0.39195969697669625
Energy: 0.3927675476968184
Energy: 0.6311510701256333
Energy: 0.500055282385347
Energy: 0.6311510701250425
Energy: 0.5478351351716569
Energy: 0.6311510701256333

minimum gb energy = 0.39194327342097696 eV
minimum distance =  2.67346320811183 Angstroms
sigma value = 3


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

Energy: 0.6404236653847449
Energy: 0.4932112489575944
Energy: 0.640423665372522
Energy: 0.49321124895813867
Energy: 0.6404236653716808
Energy: 0.4932112489575944
Energy: 0.5509256062517592
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Energy: 0.5509327782468016
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Energy: 0.5025337849380916
Energy: 0.6903181150643883
Energy: 0.5025337849372999
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Energy: 0.5025337849378443
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Energy: 0.5863360343725553
Energy: 0.48769173717961484
Energy: 0.5863360343728027
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Energy: 0.5863360343660232
Energy: 0.48769173618307826
Energy: 0.5315626046492776
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Energy: 0.5315626048008019
Energy: 0.5475047822824969
Energy: 0.531562604520863
Energy: 0.5475047822846743
Energy: 0.4999050019639441
Energy: 0.5831217052049174
Energy: 0.4999050019552347
Energy: 0.5831217051825994
Energy: 0.4999050019454365
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Energy: 0.6293913662733419
Energy: 0.5657519542554619
Energy: 0.629391366276311
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Energy: 0.6293913662776965
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Energy: 0.4962328530795918
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Energy: 0.554656722651706
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Energy: 0.5205268520483476
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Energy: 0.4951925613127426
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Energy: 0.4951925612871586
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Energy: 0.49519256109020676
Energy: 0.526659570039624
Energy: 0.5899345726031437
Energy: 0.5266595700401685
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Energy: 0.5389167603848867
Energy: 0.5904972528531848
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Energy: 0.590497252852096
Energy: 0.5389167603845897
Energy: 0.6175499401858424
Energy: 0.5272019821427497
Energy: 0.6175499401845062
Energy: 0.5272019821800122
Energy: 0.6175499401866836
Energy: 0.5272019820858909
Energy: 0.5579156077517818
Energy: 0.5519539324584918
Energy: 0.5579156077517818
Energy: 0.5519539323455662
Energy: 0.5579156077515345
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Energy: 0.48865902685218715
Energy: 0.6066824355143091
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Energy: 0.6176736869151169
Energy: 0.532778230090912
Energy: 0.6176736870040421
Energy: 0.532778230092545
Energy: 0.6176736868778544
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Energy: 0.4975856772366551
Energy: 0.5177713560930121
Energy: 0.49758567725758746
Energy: 0.5177713560959812
Energy: 0.4975856772655051
Energy: 0.5177713560521866
Energy: 0.5203095769358075
Energy: 0.6306357728973968
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Energy: 0.6306357728794335
Energy: 0.5203095769358075
Energy: 0.6306357728976937
Energy: 0.47093078085668105
Energy: 0.6422732068750399
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Energy: 0.470930774917594
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Energy: 0.47473507795428377
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Energy: 0.5163715346609469
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Energy: 0.6291848141666567
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Energy: 0.6002464018835961
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Energy: 0.497590708549937
Energy: 0.6002464018751836
Energy: 0.55526344757612
Energy: 0.5295333736279573
Energy: 0.555263447532573
Energy: 0.5295333736276603
Energy: 0.5552634475733983
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Energy: 0.46653330545468163
Energy: 0.532637768388788
Energy: 0.4665333054429536
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Energy: 0.46653330545141564
Energy: 0.5235879552022439
Energy: 0.548625714148733
Energy: 0.5235879552025408
Energy: 0.5486250972237919
Energy: 0.5235879552025408
Energy: 0.5486256764612607
Energy: 0.5739596173303728
Energy: 0.5545592842515313
Energy: 0.5739596173287398
Energy: 0.5545592839005811
Energy: 0.573959617332006
Energy: 0.5545592842596965
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Energy: 0.5203387495499666
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Energy: 0.5369180063240856
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Energy: 0.5369180063072111
Energy: 0.5451220423928411
Energy: 0.5369180052475806
Energy: 0.5922882342391956
Energy: 0.5357048917296079
Energy: 0.5922882344933031
Energy: 0.5357048917298554
Energy: 0.5922882344533189
Energy: 0.535704891729311
Energy: 0.5702441799197985
Energy: 0.5433972766420655
Energy: 0.5702441799040125
Energy: 0.5433972766611175
Energy: 0.5702441799051013
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Energy: 0.6305953421167406
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Energy: 0.6305953421170375
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Energy: 0.6305953421167406
Energy: 0.46679768928142124
Energy: 0.5311516021811349
Energy: 0.46679768928275733
Energy: 0.5311516021814319
Energy: 0.46679768928033244
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Energy: 0.632491110523615
Energy: 0.487459682688674
Energy: 0.6324911114806622
Energy: 0.487459682688674
Energy: 0.6324911111860262
Energy: 0.487459682688674
Energy: 0.4933052618343606
Energy: 0.6571686114494095
Energy: 0.4933052618340637
Energy: 0.6571686114532199
Energy: 0.4933052618343606
Energy: 0.6571686115302191
Energy: 0.519527812165163
Energy: 0.6323655126325909
Energy: 0.5195278121646186
Energy: 0.6323655126309579
Energy: 0.5195278121627382
Energy: 0.6323655126279887
Energy: 0.4991915563745357
Energy: 0.5826069309601644
Energy: 0.4993099972219315
Energy: 0.5826069309604117
Energy: 0.499204800613737
Energy: 0.5826069309604117
Energy: 0.646014967409903
Energy: 0.46731803633798763
Energy: 0.6460149673837747
Energy: 0.46731803633798763
Energy: 0.6460149673867934
Energy: 0.46731803633719593
Energy: 0.486217059124043
Energy: 0.6396362625678866
Energy: 0.4862170591243399
Energy: 0.6396362625678866
Energy: 0.48621705912379565
Energy: 0.6396362625676392
Energy: 0.5728417068108465
Energy: 0.4908703846834069
Energy: 0.5728417068121826
Energy: 0.4908703845990343
Energy: 0.5728417068105495
Energy: 0.4908703846303586
Energy: 0.6159145723641424
Energy: 0.5087378328744695
Energy: 0.6159145723907655
Energy: 0.5087378328733807
Energy: 0.6159145723758208
Energy: 0.508737832872292
Energy: 0.6590122102947396
Energy: 0.4947838561504118
Energy: 0.6590122024379456
Energy: 0.49478385615150056
Energy: 0.6590122029374511
Energy: 0.4947838561504118
Energy: 0.5130791860677456
Energy: 0.5869586975142725
Energy: 0.5130791860674981
Energy: 0.5869586975104623
Energy: 0.5130791860672013
Energy: 0.5869586975120954
Energy: 0.5098298486227358
Energy: 0.4854843374732099
Energy: 0.5098298486232803
Energy: 0.48548423929599555
Energy: 0.5098298486232803
Energy: 0.4854843133024715
Energy: 0.4990594671107948
Energy: 0.5416071873611825
Energy: 0.49915183541015506
Energy: 0.5416071873617269
Energy: 0.4992665132453786
Energy: 0.5416071873628155
Energy: 0.5973748833843714
Energy: 0.5589365298038961
Energy: 0.5973748833843714
Energy: 0.5589365298038961
Energy: 0.597374883382194
Energy: 0.558936529802263
Energy: 0.5352328792553784
Energy: 0.5790856358524337
Energy: 0.5352328792575559
Energy: 0.5790856358538193
Energy: 0.5352328792781913
Energy: 0.5790856358549079

minimum gb energy = 0.4665333054429536 eV
minimum distance =  2.55567984063909 Angstroms
sigma value = 81


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

Energy: 0.6150328226625059
Energy: 0.5236189654760148
Energy: 0.5998785701322059
Energy: 0.5236189654763885
Energy: 0.6150328226583969
Energy: 0.5236189654767619
Energy: 0.5382394170345993
Energy: 0.5488796326439287
Energy: 0.5382394170345993
Energy: 0.5488796326439287
Energy: 0.5382394170345993
Energy: 0.5488796326457964
Energy: 0.5486681920659743
Energy: 0.46663024654021024
Energy: 0.5285327414478969
Energy: 0.46663024654133095
Energy: 0.5486681920659743
Energy: 0.4666302465405838
Energy: 0.4907544724372771
Energy: 0.5161255523243355
Energy: 0.4907544724372771
Energy: 0.5161255521189513
Energy: 0.4907544724380242
Energy: 0.5161255522724121
Energy: 0.5297584399240636
Energy: 0.4866487453094229
Energy: 0.5297584399229429
Energy: 0.48664874530904934
Energy: 0.5297584399240636
Energy: 0.48664874531054353
Energy: 0.49705215446851964
Energy: 0.530762237301492
Energy: 0.4970521544681461
Energy: 0.5307622373011185
Energy: 0.49705215446777257
Energy: 0.5307622373003714
Energy: 0.5301975490037364
Energy: 0.5349342730916248
Energy: 0.5301975490033628
Energy: 0.5349342730908777
Energy: 0.5301975490037364
Energy: 0.5349342730908777
Energy: 0.5865576824968605
Energy: 0.617728128801716
Energy: 0.5866141758441958
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Energy: 0.5865576824953663
Energy: 0.6177281288005954
Energy: 0.5535099736091411
Energy: 0.5259614543385198
Energy: 0.553509973612503
Energy: 0.5259614543385198
Energy: 0.5535099736098882
Energy: 0.5259614543388935
Energy: 0.5393079762022731
Energy: 0.5839685549696073
Energy: 0.5393079762018996
Energy: 0.5843912028340823
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Energy: 0.5839665474049677
Energy: 0.5217875486487081
Energy: 0.5287020886714046
Energy: 0.521787548647961
Energy: 0.5287020886714046
Energy: 0.5217875486483345
Energy: 0.5287020886695367
Energy: 0.5119347434476164
Energy: 0.5348876354176313
Energy: 0.5118733936275829
Energy: 0.5348876354165105
Energy: 0.5119347434468693
Energy: 0.534887635418752
Energy: 0.5365498248967862
Energy: 0.5320865261073173
Energy: 0.5365498248971597
Energy: 0.5320865254165568
Energy: 0.5365498248971597
Energy: 0.5320865262652608
Energy: 0.5275927450022101
Energy: 0.5193575235566571
Energy: 0.5275927450040778
Energy: 0.5193575235559099
Energy: 0.5275927450044514
Energy: 0.5193575235559099
Energy: 0.4670366615802264
Energy: 0.48033990330439125
Energy: 0.4670366615764908
Energy: 0.48033990330439125
Energy: 0.4670366615809734
Energy: 0.4803399033062591
Energy: 0.5833414687340733
Energy: 0.5291433745187969
Energy: 0.5833414687336999
Energy: 0.5291433745184233
Energy: 0.5833414687344469
Energy: 0.5291433745187969
Energy: 0.550038359481796
Energy: 0.6003417195694732
Energy: 0.549977848036008
Energy: 0.6003417195661114
Energy: 0.5500383546506153
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Energy: 0.527453443123607
Energy: 0.615353215716635
Energy: 0.5274146462454096
Energy: 0.6153532156864117
Energy: 0.527453443123607
Energy: 0.615353215764076
Energy: 0.46826090279074706
Energy: 0.5460016009989862
Energy: 0.46826090279224114
Energy: 0.5460016009948772
Energy: 0.4682609027903734
Energy: 0.546001600998239
Energy: 0.5158038558254924
Energy: 0.5509019140341953
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Energy: 0.5509019140315804
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Energy: 0.5607627123439293
Energy: 0.4875028311632444
Energy: 0.5607627123461706
Energy: 0.4875028311639915
Energy: 0.5607627123446762
Energy: 0.5386986769371526
Energy: 0.5900296575504285
Energy: 0.5183636531985788
Energy: 0.5900296585738516
Energy: 0.5386986769375262
Energy: 0.5900296588852558
Energy: 0.5909839186691517
Energy: 0.6090483027980538
Energy: 0.57854885881812
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Energy: 0.5909838443591318
Energy: 0.6090483027976803
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Energy: 0.5852605392972664
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Energy: 0.5852605392980136
Energy: 0.618175259637015
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Energy: 0.5508951002199453
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Energy: 0.5508951002206923
Energy: 0.5301005261017802
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Energy: 0.4684228001480565
Energy: 0.6343628736088058
Energy: 0.4684228001488036
Energy: 0.6343628736088058
Energy: 0.4684228001484301
Energy: 0.6343628736080587
Energy: 0.527349829114859
Energy: 0.4918866561912149
Energy: 0.5273498291152326
Energy: 0.49188665619009436
Energy: 0.5273498291152326
Energy: 0.49188665618897365
Energy: 0.5598158973043278
Energy: 0.6076141965983138
Energy: 0.5598158973050749
Energy: 0.6076141965979404
Energy: 0.5598158973047013
Energy: 0.6076141966009286
Energy: 0.5600336189870567
Energy: 0.5366836629802813
Energy: 0.561176520119179
Energy: 0.5366836629802813
Energy: 0.5600336189900451
Energy: 0.5366836629787871
Energy: 0.466739160662384
Energy: 0.4799648782180021
Energy: 0.4667391606616369
Energy: 0.4799648782180021
Energy: 0.466739160662384
Energy: 0.4799648782183757
Energy: 0.5166684801810884
Energy: 0.683358528146337
Energy: 0.5166684801810884
Energy: 0.683358528146337
Energy: 0.5166684801814619
Energy: 0.6833585281485783
Energy: 0.5189185319221303
Energy: 0.5301166733183574
Energy: 0.5189185319228774
Energy: 0.5301166703761137
Energy: 0.5189185319221303
Energy: 0.530116674923159
Energy: 0.5109114376424618
Energy: 0.5810376414607142
Energy: 0.5115961691724531
Energy: 0.5810376414603408
Energy: 0.510911437628267
Energy: 0.5810376414595938
Energy: 0.5128624219079555
Energy: 0.5293388234605233
Energy: 0.5127972908026576
Energy: 0.5293388234605233
Energy: 0.5128624219072084
Energy: 0.5293388234605233
Energy: 0.5470722920608909
Energy: 0.6888666511288976
Energy: 0.5472632527406242
Energy: 0.688866662016772
Energy: 0.5470722920612643
Energy: 0.6888666522561673
Energy: 0.5259028973170679
Energy: 0.5608451746453195
Energy: 0.5259028973170679
Energy: 0.560845174697956
Energy: 0.5259028973174414
Energy: 0.5608451747125243
Energy: 0.5643311179160939
Energy: 0.5545825526030687
Energy: 0.5643311178507567
Energy: 0.5545825526034421
Energy: 0.5643311178850893
Energy: 0.5545825526034421
Energy: 0.5308757268498148
Energy: 0.533846459978633
Energy: 0.5308757268501884
Energy: 0.5338464599782594
Energy: 0.5308757268486941
Energy: 0.5338464599782594

minimum gb energy = 0.46663024654021024 eV
minimum distance =  2.58864227116954 Angstroms
sigma value = 43


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

Energy: 0.6109912273847081
Energy: 0.5084642603342096
Energy: 0.6109912273828727
Energy: 0.5084642603337506
Energy: 0.6109912273851669
Energy: 0.5084642603342096
Energy: 0.5517728096616668
Energy: 0.4803541011496015
Energy: 0.5517728096607492
Energy: 0.4803541011459308
Energy: 0.5517728096607492
Energy: 0.48035410113216565
Energy: 0.5320630522177898
Energy: 0.6091247337286205
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Energy: 0.6091247337286205
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Energy: 0.6091247337281616
Energy: 0.5740138904196553
Energy: 0.495019872700117
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Energy: 0.49501987270057585
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Energy: 0.49501987270103465
Energy: 0.526137065106744
Energy: 0.5062709087109996
Energy: 0.5261370651062851
Energy: 0.5062709087114583
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Energy: 0.5062709087105407
Energy: 0.5367498950622969
Energy: 0.5215326661764427
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Energy: 0.5215326584356107
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Energy: 0.5401186545162511
Energy: 0.5658413469251005
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Energy: 0.545367428129575
Energy: 0.5249176621627887
Energy: 0.5453685754036075
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Energy: 0.5453671031612722
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Energy: 0.6038551350093078
Energy: 0.47600990189986797
Energy: 0.6038551350088489
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Energy: 0.6038551350088489
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Energy: 0.5757239895733559
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Energy: 0.575723989252315
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Energy: 0.5757239890505097
Energy: 0.592327202004126
Energy: 0.5204267948658835
Energy: 0.5923272020050436
Energy: 0.5204267948663422
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Energy: 0.5204267948681777
Energy: 0.49296878051934545
Energy: 0.5064092627310853
Energy: 0.49296878051980425
Energy: 0.5063902261291313
Energy: 0.49296878051980425
Energy: 0.5063974688108134
Energy: 0.5283335012078872
Energy: 0.5946144614758011
Energy: 0.5283335006176126
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Energy: 0.5283335040248208
Energy: 0.5946144614758011
Energy: 0.4758140079780609
Energy: 0.6241402337786524
Energy: 0.47581400797576673
Energy: 0.6241402452096708
Energy: 0.47581400797897855
Energy: 0.6241402341253881
Energy: 0.5601804468074254
Energy: 0.5530206654912113
Energy: 0.5601804468065077
Energy: 0.5530206654912113
Energy: 0.5601804468065077
Energy: 0.5530206654907525
Energy: 0.5628722317305163
Energy: 0.5420199008619716
Energy: 0.5628722317268456
Energy: 0.5420199008624305
Energy: 0.5628722317213395
Energy: 0.5420199008615126
Energy: 0.5323143930306254
Energy: 0.4818200351825246
Energy: 0.5323143782956166
Energy: 0.4818200351825246
Energy: 0.5323143859727117
Energy: 0.4818200351829834
Energy: 0.5795120665737592
Energy: 0.5441029149015417
Energy: 0.579512066574677
Energy: 0.5441029149020005
Energy: 0.5795120665733005
Energy: 0.5441029149020005
Energy: 0.5615583992028167
Energy: 0.540694765570145
Energy: 0.5615583992028167
Energy: 0.5406947655706038
Energy: 0.5615583992028167
Energy: 0.5406947655710627
Energy: 0.5286434006502501
Energy: 0.4814486745870626
Energy: 0.5286434006507089
Energy: 0.48144867458798024
Energy: 0.5286434006507089
Energy: 0.4814486745838507
Energy: 0.4998086839940903
Energy: 0.5495315902429266
Energy: 0.4998086834804208
Energy: 0.5495315902433854
Energy: 0.49980868344189927
Energy: 0.5495315902456797
Energy: 0.5641245527377036
Energy: 0.5391460565244456
Energy: 0.5641245527372448
Energy: 0.5391460565244456
Energy: 0.5641245527381625
Energy: 0.5391460565244456
Energy: 0.4759346777792371
Energy: 0.556671726068383
Energy: 0.4759346777796959
Energy: 0.5566717260812305
Energy: 0.4759346777792371
Energy: 0.5566717261110341
Energy: 0.5295234392564662
Energy: 0.5976198537394849
Energy: 0.5295234392564662
Energy: 0.597619853736732
Energy: 0.5295234392564662
Energy: 0.5976198537381083
Energy: 0.5439625777311119
Energy: 0.4992405344468018
Energy: 0.5439625777311119
Energy: 0.49924053444817823
Energy: 0.5439625777306532
Energy: 0.4992405344472606
Energy: 0.5932434405585217
Energy: 0.537455028680815
Energy: 0.5932434405594394
Energy: 0.537455028680815
Energy: 0.5932434405585217
Energy: 0.5374550286803561
Energy: 0.49659071584609654
Energy: 0.5572259366256406
Energy: 0.4965907158456377
Energy: 0.5572259366283935
Energy: 0.49659071584609654
Energy: 0.5572259366022397
Energy: 0.5775748119246357
Energy: 0.4751551689895377
Energy: 0.5775748119255533
Energy: 0.4751551689899965
Energy: 0.5775748119063029
Energy: 0.4751551689895377
Energy: 0.5424223323824319
Energy: 0.5263089768637054
Energy: 0.5424223209165835
Energy: 0.5263089768632464
Energy: 0.5424223288926953
Energy: 0.5263089768632464
Energy: 0.5244718637838389
Energy: 0.5403307525474739
Energy: 0.5244719389329641
Energy: 0.5403307525488504
Energy: 0.5244719482991892
Energy: 0.5403307525483916
Energy: 0.5385074492184201
Energy: 0.557289591031758
Energy: 0.5385074492179612
Energy: 0.557289595419045
Energy: 0.5385074492211731
Energy: 0.5572895558631977

minimum gb energy = 0.4751551689895377 eV
minimum distance =  2.56964299358493 Angstroms
sigma value = 57


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

Energy: 0.597707679397309
Energy: 0.4795078747249303
Energy: 0.5977076793984972
Energy: 0.4795078747249303
Energy: 0.5977076793961209
Energy: 0.4795078747249303
Energy: 0.5068827961592149
Energy: 0.45346521370489845
Energy: 0.5068827961592149
Energy: 0.45346521370489845
Energy: 0.5068827961586209
Energy: 0.45346521370489845
Energy: 0.5415432759357348
Energy: 0.5658920000142306
Energy: 0.5415432759357348
Energy: 0.5658920000148246
Energy: 0.5415432759357348
Energy: 0.5658920000142306
Energy: 0.6442169532835115
Energy: 0.5018343436061543
Energy: 0.6442169532835115
Energy: 0.5018343436061543
Energy: 0.6442169532829174
Energy: 0.5018343436061543
Energy: 0.6466812121040252
Energy: 0.5685543881917539
Energy: 0.6466812121040252
Energy: 0.5685543881911597
Energy: 0.6466812121040252
Energy: 0.5685543881911597
Energy: 0.540883024365095
Energy: 0.5184794133757011
Energy: 0.5408830243656891
Energy: 0.5184794123905256
Energy: 0.5408830243656891
Energy: 0.5184794125490957
Energy: 0.535121446392944
Energy: 0.5544181663087597
Energy: 0.535121446392944
Energy: 0.5544181663087597
Energy: 0.5351214463935381
Energy: 0.5544181663081658
Energy: 0.5549566775550914
Energy: 0.4803898536763142
Energy: 0.5549566775544972
Energy: 0.4803898536763142
Energy: 0.5549566775556855
Energy: 0.48038985367572007
Energy: 0.5931271179599972
Energy: 0.5269728293722374
Energy: 0.5931271179605913
Energy: 0.5269728293728316
Energy: 0.5931271179599972
Energy: 0.5269728293728316
Energy: 0.4604750352477616
Energy: 0.51525936823455
Energy: 0.46047503524835576
Energy: 0.5152593682357381
Energy: 0.46047503524835576
Energy: 0.5152593682416791
Energy: 0.5350207730844135
Energy: 0.6218472206299468
Energy: 0.5350207730838195
Energy: 0.621847220667969
Energy: 0.5350207730844135
Energy: 0.621847220643611
Energy: 0.5981313870395593
Energy: 0.515303492450424
Energy: 0.598131387037777
Energy: 0.5153034930359609
Energy: 0.5981313870383711
Energy: 0.5153034921665804
Energy: 0.5090767075236614
Energy: 0.5272423708856743
Energy: 0.5090767075236614
Energy: 0.5272423708856743
Energy: 0.5090767075236614
Energy: 0.5272423708856743
Energy: 0.5787277917464949
Energy: 0.45767402463162
Energy: 0.5787277917464949
Energy: 0.45767402463102586
Energy: 0.5787277917464949
Energy: 0.45767402463102586
Energy: 0.5303545625753785
Energy: 0.5169952742333808
Energy: 0.5303545625759726
Energy: 0.5169952742327867
Energy: 0.5303545625753785
Energy: 0.5169952742333808
Energy: 0.5934341946664513
Energy: 0.5003977687489704
Energy: 0.5934341946670454
Energy: 0.5003977687489704
Energy: 0.5934341946664513
Energy: 0.5003977687483763
Energy: 0.45705668328239
Energy: 0.5070503776762766
Energy: 0.45705668328239
Energy: 0.5070503776756825
Energy: 0.45705668328298416
Energy: 0.5070503776762766
Energy: 0.5345154441995206
Energy: 0.5094901073461353
Energy: 0.5345154441989264
Energy: 0.5094901073461353
Energy: 0.5345154441989264
Energy: 0.5094901073461353
Energy: 0.4569651592982392
Energy: 0.5069587453002422
Energy: 0.4569651592982392
Energy: 0.5069587453002422
Energy: 0.4569651592976451
Energy: 0.5069587453002422
Energy: 0.5925634889121815
Energy: 0.5004104433762551
Energy: 0.5925634889115874
Energy: 0.5004104433762551
Energy: 0.5925634889121815
Energy: 0.5004104433762551
Energy: 0.5303060181104541
Energy: 0.5170980174909897
Energy: 0.5303060181104541
Energy: 0.5170980174909897
Energy: 0.5303060181104541
Energy: 0.5170980174909897
Energy: 0.5787301495113006
Energy: 0.4939096480705835
Energy: 0.5787301495113006
Energy: 0.4939096480705835
Energy: 0.5787301495113006
Energy: 0.4939096480705835
Energy: 0.5091238083421775
Energy: 0.527295411017452
Energy: 0.5091238083421775
Energy: 0.527295411017452
Energy: 0.5091238083427717
Energy: 0.527295411017452
Energy: 0.5980356185641347
Energy: 0.5153194497538796
Energy: 0.5980356185641347
Energy: 0.5153194507152911
Energy: 0.5980356185647288
Energy: 0.5153194482170306

minimum gb energy = 0.45346521370489845 eV
minimum distance =  2.55484816715603 Angstroms
sigma value = 17


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

Energy: 0.5958536253936095
Energy: 0.4743616158188018
Energy: 0.5958536253944499
Energy: 0.4743616158188018
Energy: 0.5958536253936095
Energy: 0.4743616158188018
Energy: 0.5118094259643584
Energy: 0.45195029286628163
Energy: 0.5118094259635183
Energy: 0.45195029286544147
Energy: 0.5118094259643584
Energy: 0.4519502928646013
Energy: 0.49696431529542795
Energy: 0.5112685731635351
Energy: 0.49696431529542795
Energy: 0.5112685731181845
Energy: 0.49696431529542795
Energy: 0.5112685730677928
Energy: 0.5651515066776035
Energy: 0.5072302083594732
Energy: 0.5651515066776035
Energy: 0.5072302083594732
Energy: 0.5651515066776035
Energy: 0.5072302083880202
Energy: 0.5630690367781878
Energy: 0.5654794086994474
Energy: 0.5630690367781878
Energy: 0.5654794087137114
Energy: 0.5630690367781878
Energy: 0.5654794087095296
Energy: 0.4819912053730075
Energy: 0.5095054826559817
Energy: 0.4819912053730075
Energy: 0.5095054826551416
Energy: 0.4819912053730075
Energy: 0.5095054826551416
Energy: 0.49617530504661717
Energy: 0.5379413880243961
Energy: 0.496175305045777
Energy: 0.5379413880227156
Energy: 0.496175305045777
Energy: 0.5379413880252362
Energy: 0.5649985282482628
Energy: 0.5672683857949038
Energy: 0.5649985282482628
Energy: 0.5672683857957439
Energy: 0.5649985282482628
Energy: 0.5672683857974243
Energy: 0.4867871820840001
Energy: 0.5290561228299909
Energy: 0.4867871820840001
Energy: 0.5290561228299909
Energy: 0.4867871820840001
Energy: 0.5290561228299909
Energy: 0.47035394076931797
Energy: 0.45821903172943823
Energy: 0.47035394076931797
Energy: 0.45821903172943823
Energy: 0.4703539407684778
Energy: 0.45821903172943823
Energy: 0.4720093869891168
Energy: 0.5118139131533896
Energy: 0.47200938700676065
Energy: 0.5118139131533896
Energy: 0.47200938699835887
Energy: 0.5118139131533896
Energy: 0.5554705324585425
Energy: 0.570117071125845
Energy: 0.5554705324585425
Energy: 0.570117071125845
Energy: 0.5554705324585425
Energy: 0.570117071125845
Energy: 0.4360725118989623
Energy: 0.5094981701741444
Energy: 0.4360725118989623
Energy: 0.5094981701741444
Energy: 0.4360725118989623
Energy: 0.5094981701741444
Energy: 0.4787212228532431
Energy: 0.5096996423116953
Energy: 0.4787212228524029
Energy: 0.5096996423116953
Energy: 0.4787212228524029
Energy: 0.5096996423125354
Energy: 0.4813302882663422
Energy: 0.5649133897993727
Energy: 0.4813302882663422
Energy: 0.5649133897993727
Energy: 0.4813302882663422
Energy: 0.5649133897993727
Energy: 0.4815323263310864
Energy: 0.6153443044041639
Energy: 0.4815323263310864
Energy: 0.6153443044041639
Energy: 0.48153232633192655
Energy: 0.6153443044041639
Energy: 0.47685329710903784
Energy: 0.5112258456395159
Energy: 0.47685329710903784
Energy: 0.5112258456403369
Energy: 0.4768532971115584
Energy: 0.5112258456403369

minimum gb energy = 0.4360725118989623 eV
minimum distance =  2.64009361059418 Angstroms
sigma value = 17


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

Energy: 0.5689264218713693
Energy: 0.44067947627654713
Energy: 0.5689264218707204
Energy: 0.4406794762768715
Energy: 0.5689264218707204
Energy: 0.44067947627654713
Energy: 0.4964220007884393
Energy: 0.4426479539601156
Energy: 0.4964220007884393
Energy: 0.4426479539594667
Energy: 0.4964220007884393
Energy: 0.4426479539601156
Energy: 0.4654152625730738
Energy: 0.4950428742025313
Energy: 0.46541526257339827
Energy: 0.4950428742025313
Energy: 0.4654152625730738
Energy: 0.4950428742022068
Energy: 0.5389042693570435
Energy: 0.4662840688894508
Energy: 0.5389042693576924
Energy: 0.4662840688907485
Energy: 0.5389042693570435
Energy: 0.4662840688920464
Energy: 0.5660365610003888
Energy: 0.4892875158396984
Energy: 0.5660365610003888
Energy: 0.48928751583645386
Energy: 0.5660365610003888
Energy: 0.48928751583775165
Energy: 0.4676240125657892
Energy: 0.4433864660361173
Energy: 0.4676240125661137
Energy: 0.4433864660341707
Energy: 0.4676240125661137
Energy: 0.4433864660361173
Energy: 0.4977483360824985
Energy: 0.45064883981995124
Energy: 0.4977483360799029
Energy: 0.45064883981962683
Energy: 0.4977483360796079
Energy: 0.45064883981995124
Energy: 0.5362326915488831
Energy: 0.5308351240026653
Energy: 0.5362326915488831
Energy: 0.530835124001692
Energy: 0.5362326915482343
Energy: 0.530835124001043
Energy: 0.5159190869179344
Energy: 0.45823206833675845
Energy: 0.5159190869104721
Energy: 0.4582320683325406
Energy: 0.5159190869211788
Energy: 0.45823206833578506
Energy: 0.49836556330923193
Energy: 0.41250758217062405
Energy: 0.4983655633095564
Energy: 0.41250758217029965
Energy: 0.49836556330890747
Energy: 0.41250758217062405
Energy: 0.5423576792943747
Energy: 0.5187571528714153
Energy: 0.5423576792943747
Energy: 0.5187571528697932
Energy: 0.5423576792943747
Energy: 0.5187571528717398
Energy: 0.4685697429964252
Energy: 0.5490186004678194
Energy: 0.4685697429970741
Energy: 0.5490186004658727
Energy: 0.4685697429973985
Energy: 0.5490186004652239
Energy: 0.5076307586890693
Energy: 0.4867946928500978
Energy: 0.5076307586887449
Energy: 0.4867946928488
Energy: 0.5076307586887449
Energy: 0.4867946928520445
Energy: 0.4471890906781439
Energy: 0.4790955252603702
Energy: 0.4471890907118865
Energy: 0.4790955252600457
Energy: 0.4471890906794418
Energy: 0.4790955252600457
Energy: 0.5259003385393094
Energy: 0.5449757922322069
Energy: 0.5259003385393094
Energy: 0.5449757922322069
Energy: 0.5259003385386604
Energy: 0.5449757922318825
Energy: 0.4222249352597636
Energy: 0.49864054966333643
Energy: 0.42222493526008803
Energy: 0.4986405496620385
Energy: 0.42222493526008803
Energy: 0.4986405496617141
Energy: 0.4465738290240459
Energy: 0.456874559537929
Energy: 0.4465738290396194
Energy: 0.456874559537929
Energy: 0.4465738290289126
Energy: 0.456874559537929
Energy: 0.4734906880911493
Energy: 0.5297046175245438
Energy: 0.47349068823092727
Energy: 0.5297046175245438
Energy: 0.4734906879903051
Energy: 0.5297046175245438
Energy: 0.4516967665571771
Energy: 0.5693830011320796
Energy: 0.4516967665571771
Energy: 0.5693830011298086
Energy: 0.4516967665571771
Energy: 0.569383001133053
Energy: 0.4466379465357632
Energy: 0.412423229107806
Energy: 0.4466379465347899
Energy: 0.4124232291104015
Energy: 0.4466379465357632
Energy: 0.41242322910975265
Energy: 0.4514404065981525
Energy: 0.5694118327759163
Energy: 0.45144040659847695
Energy: 0.5694118327759163
Energy: 0.45144040659847695
Energy: 0.5694118327759163
Energy: 0.4622831420965912
Energy: 0.5297140334013276
Energy: 0.46264606302940936
Energy: 0.5297140334013276
Energy: 0.46237648497688183
Energy: 0.529714033401652
Energy: 0.4470690286368323
Energy: 0.4569102557468693
Energy: 0.44706902863748116
Energy: 0.45691025574654487
Energy: 0.4470690286368323
Energy: 0.45691025574654487
Energy: 0.42276361788703454
Energy: 0.5379863541787407
Energy: 0.42276361788735894
Energy: 0.5379863541790653
Energy: 0.42276361788606115
Energy: 0.5379863541797142
Energy: 0.5257833929386261
Energy: 0.545034269451659
Energy: 0.525783392939275
Energy: 0.5450342694519834
Energy: 0.525783392939275
Energy: 0.5450342694526323
Energy: 0.4470728944245045
Energy: 0.4784611486483603
Energy: 0.4470728944238557
Energy: 0.47846114864803585
Energy: 0.44707289442418013
Energy: 0.4784611486483603
Energy: 0.507650769526725
Energy: 0.4867078212444326
Energy: 0.507650769526725
Energy: 0.4867078212411882
Energy: 0.5076507695264006
Energy: 0.48670782124183704
Energy: 0.4676596462556354
Energy: 0.5490434340042457
Energy: 0.46765964625401313
Energy: 0.5490434340039213
Energy: 0.46765964625368867
Energy: 0.5490434340035968
Energy: 0.5424460359558512
Energy: 0.5181811635047342
Energy: 0.5424460359565001
Energy: 0.5181811635047342
Energy: 0.5424460359565001
Energy: 0.5181811635044098
Energy: 0.49957504172787287
Energy: 0.41247626166588996
Energy: 0.49957504172787287
Energy: 0.41247626166621437
Energy: 0.49957504172819733
Energy: 0.41247626166621437
Energy: 0.5179871703678253
Energy: 0.4583077570453467
Energy: 0.5179871703662031
Energy: 0.4583077570398311
Energy: 0.5179871703684742
Energy: 0.4583077570210132
Energy: 0.535780681110724
Energy: 0.5303761511190497
Energy: 0.5357806811103996
Energy: 0.5303761511187253
Energy: 0.5357806811110485
Energy: 0.5303761511193742
Energy: 0.4967509199917397
Energy: 0.45063561313793465
Energy: 0.4967509199881707
Energy: 0.45063561313728573
Energy: 0.4967509199888197
Energy: 0.45063561313728573
Energy: 0.46770869019180267
Energy: 0.43149058027702747
Energy: 0.4677086901914782
Energy: 0.4314905802776764
Energy: 0.4677086901911538
Energy: 0.4314905802776764
Energy: 0.5661442209805093
Energy: 0.4893257106892153
Energy: 0.5661442209801849
Energy: 0.48932571069570424
Energy: 0.5661442209805093
Energy: 0.489325710694082
Energy: 0.539712534403554
Energy: 0.4705702682406521
Energy: 0.5397125344032296
Energy: 0.47057026825360043
Energy: 0.5397125344032296
Energy: 0.47057026825522275
Energy: 0.46546607382870414
Energy: 0.49473591840913905
Energy: 0.46546607382837973
Energy: 0.49473591840946346
Energy: 0.46546607382870414
Energy: 0.49473591840946346
Energy: 0.4969392092862829
Energy: 0.431047241228658
Energy: 0.4969392092869317
Energy: 0.431047241228658
Energy: 0.4969392092862829
Energy: 0.43104724122833354
Energy: 0.5689264218726376
Energy: 0.4406794762775204
Energy: 0.5689264218726376
Energy: 0.4406794762775204
Energy: 0.5689264218726376
Energy: 0.4406794762775204
Energy: 0.4964220007864926
Energy: 0.5053083076263599
Energy: 0.4964220007864926
Energy: 0.5053083076263599
Energy: 0.4964220007861681
Energy: 0.5053083076266844
Energy: 0.46541526257469606
Energy: 0.4950428742018823
Energy: 0.46541526257469606
Energy: 0.4950428742015579
Energy: 0.46541526257469606
Energy: 0.4950428742022068
Energy: 0.5389042693580169
Energy: 0.46628406888458407
Energy: 0.5389042693580169
Energy: 0.46628406888555746
Energy: 0.5389042693580169
Energy: 0.46628406888555746
Energy: 0.5660365609997399
Energy: 0.48928751583580493
Energy: 0.5660365609997399
Energy: 0.4892875158338582
Energy: 0.5660365610000644
Energy: 0.48928751583515606

minimum gb energy = 0.412423229107806 eV
minimum distance =  2.52155466843591 Angstroms
sigma value = 57


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

Energy: 0.5479255330632685
Energy: 0.41202943526446056
Energy: 0.5479255331408774
Energy: 0.41202943526446056
Energy: 0.5479255330680229
Energy: 0.41202943526446056
Energy: 0.4590379253897382
Energy: 0.46532436801939275
Energy: 0.4590379253849837
Energy: 0.4653243680188645
Energy: 0.45903792539343613
Energy: 0.46532436801780797
Energy: 0.4507750909244289
Energy: 0.46424603939832365
Energy: 0.4507750909244289
Energy: 0.46424603939832365
Energy: 0.4507750909244289
Energy: 0.46424603939832365
Energy: 0.515135523202949
Energy: 0.44101538886115627
Energy: 0.5151355232024207
Energy: 0.441015388866439
Energy: 0.515135523202949
Energy: 0.44101538886749553
Energy: 0.5148046107221792
Energy: 0.45738090074111937
Energy: 0.5148046107205944
Energy: 0.4573809007416476
Energy: 0.5148046107158398
Energy: 0.4573809007416476
Energy: 0.43783676569589475
Energy: 0.406619513397405
Energy: 0.43783676569642305
Energy: 0.40661951339687674
Energy: 0.43783676569642305
Energy: 0.4066195133958201
Energy: 0.5100007238324822
Energy: 0.4299957084520728
Energy: 0.5100007238340671
Energy: 0.4299957084541859
Energy: 0.5100007238330104
Energy: 0.42999570845365764
Energy: 0.4970195612338668
Energy: 0.5045254701006526
Energy: 0.49701956123545166
Energy: 0.5045254701006526
Energy: 0.49701956123122537
Energy: 0.504525470101181
Energy: 0.4130534498680398
Energy: 0.40776673698411936
Energy: 0.4130534498680398
Energy: 0.40776673697989313
Energy: 0.4130534498675116
Energy: 0.4077667369867608
Energy: 0.46644576046055436
Energy: 0.41886622553717234
Energy: 0.46644726231879635
Energy: 0.41886622553717234
Energy: 0.46644598317943103
Energy: 0.4188662255377006
Energy: 0.5040322048405945
Energy: 0.5033402589743502
Energy: 0.5040322048400662
Energy: 0.5033402589775199
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Energy: 0.5033402589764634
Energy: 0.4263391611942383
Energy: 0.5123462580100074
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Energy: 0.5123462580147619
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Energy: 0.5123462580094791
Energy: 0.4653013550430874
Energy: 0.4516403352879806
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Energy: 0.4516403352879806
Energy: 0.46530135504361564
Energy: 0.4516403352874523
Energy: 0.5161657471014599
Energy: 0.46979650820697805
Energy: 0.5161657471014599
Energy: 0.4697965082022235
Energy: 0.5161657471019881
Energy: 0.46979650820592145
Energy: 0.4406869987638938
Energy: 0.5246700697558644
Energy: 0.4406869987723462
Energy: 0.524670069755336
Energy: 0.4406869987638938
Energy: 0.5246700697526948
Energy: 0.4729044962016065
Energy: 0.4614267327171596
Energy: 0.4729044962016065
Energy: 0.46142673271610307
Energy: 0.4729044962016065
Energy: 0.4614267327171596
Energy: 0.4798798592558586
Energy: 0.4563434576466192
Energy: 0.47987985925321724
Energy: 0.4563434576466192
Energy: 0.47987985925533033
Energy: 0.4563434576471475
Energy: 0.4881264776345382
Energy: 0.5230401724630012
Energy: 0.4881264776340099
Energy: 0.523040172502574
Energy: 0.4881264776340099
Energy: 0.5230401726308976
Energy: 0.4630415532966599
Energy: 0.47658814687140866
Energy: 0.46304155329718816
Energy: 0.47658814688620044
Energy: 0.46304155329718816
Energy: 0.4765881468851439
Energy: 0.46401649565742514
Energy: 0.43489602570486163
Energy: 0.46401649565795344
Energy: 0.43489602570486163
Energy: 0.46401649565742514
Energy: 0.43489602570486163
Energy: 0.4398258364581805
Energy: 0.5035749188507116
Energy: 0.4398258364576523
Energy: 0.5035749188485985
Energy: 0.4398258364555392
Energy: 0.5035749188575793
Energy: 0.3919970762021429
Energy: 0.5314334435524458
Energy: 0.3919970762016146
Energy: 0.5314334435550871
Energy: 0.3919970762010864
Energy: 0.5314334435561436
Energy: 0.4183006886799201
Energy: 0.42665338714687034
Energy: 0.4183006886804484
Energy: 0.4266533871463421
Energy: 0.41830068868097664
Energy: 0.42665338714687034
Energy: 0.4313011167166941
Energy: 0.5513926549864467
Energy: 0.4313011167172223
Energy: 0.551392654986975
Energy: 0.4313011167166941
Energy: 0.551392654986975
Energy: 0.42151259939719027
Energy: 0.5015264565012402
Energy: 0.4215125993982468
Energy: 0.5015264565017683
Energy: 0.4215125993950771
Energy: 0.5015264565017683
Energy: 0.41158075567418567
Energy: 0.4264919936058246
Energy: 0.4115807556752422
Energy: 0.4264919936058246
Energy: 0.41158075567365743
Energy: 0.4264919936058246
Energy: 0.3983919146934452
Energy: 0.4769313282381129
Energy: 0.39839191469397345
Energy: 0.4769313281562778
Energy: 0.39839191469397345
Energy: 0.4769313282391695

minimum gb energy = 0.3919970762010864 eV
minimum distance =  2.54467624881376 Angstroms
sigma value = 43


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

Energy: 0.5002490043989136
Energy: 0.3741681350430807
Energy: 0.5002490043992985
Energy: 0.3741681350388467
Energy: 0.5002490043989136
Energy: 0.374168135038077
Energy: 0.4034964376327096
Energy: 0.41673867073167276
Energy: 0.4034964376242417
Energy: 0.4167386707305531
Energy: 0.40349643762000775
Energy: 0.4167386707305531
Energy: 0.388421498434815
Energy: 0.41759807763010975
Energy: 0.3884214984367396
Energy: 0.41759807763203427
Energy: 0.3884214984359698
Energy: 0.41759807763434376
Energy: 0.47429492650256855
Energy: 0.3811985762284302
Energy: 0.4742949264960251
Energy: 0.381198576233434
Energy: 0.4742949264590742
Energy: 0.3811985762338189
Energy: 0.44335466147053487
Energy: 0.40481073786614796
Energy: 0.4433546614686103
Energy: 0.4048107378665329
Energy: 0.44335466147014996
Energy: 0.40481073788847255
Energy: 0.3791443897370181
Energy: 0.40614494903302456
Energy: 0.37914438973663317
Energy: 0.40614494903302456
Energy: 0.37914438973663317
Energy: 0.40614494903340953
Energy: 0.45465365632802
Energy: 0.37637339047232465
Energy: 0.454653656328405
Energy: 0.3763732554738119
Energy: 0.454653656328405
Energy: 0.3763733579595304
Energy: 0.47145032785337404
Energy: 0.44430644767431415
Energy: 0.47145032784644575
Energy: 0.444306447675084
Energy: 0.47145032784606083
Energy: 0.444306447675084
Energy: 0.36918087051359144
Energy: 0.4035039833000995
Energy: 0.36918087051359144
Energy: 0.4035039833012542
Energy: 0.36918087051359144
Energy: 0.40350398329971454
Energy: 0.4828520699586858
Energy: 0.3669705034553182
Energy: 0.4828520699586858
Energy: 0.36697050344954457
Energy: 0.4828520699586858
Energy: 0.3669705034618616
Energy: 0.43747911726913885
Energy: 0.43581359435217015
Energy: 0.4374791172695237
Energy: 0.435813594352555
Energy: 0.43747911727491245
Energy: 0.43581359435217015
Energy: 0.39860363990641917
Energy: 0.4030377791658236
Energy: 0.39860363990641917
Energy: 0.40303777916659345
Energy: 0.3986036399060343
Energy: 0.40303777916620853
Energy: 0.40981863527089024
Energy: 0.35584863249940385
Energy: 0.40981863527204493
Energy: 0.35584863249940385
Energy: 0.4098186352678109
Energy: 0.35584863249940385
Energy: 0.44466766229300114
Energy: 0.4446101826927221
Energy: 0.44466766230993704
Energy: 0.4446101826934919
Energy: 0.4446676623122464
Energy: 0.4446101826919523
Energy: 0.3960357726243733
Energy: 0.4030453451224099
Energy: 0.39603577262706763
Energy: 0.40304534511898077
Energy: 0.39603577262514306
Energy: 0.40304534511782614
Energy: 0.4146405311386764
Energy: 0.37786574382018856
Energy: 0.4146405311386764
Energy: 0.37786574376476206
Energy: 0.4146405311382915
Energy: 0.3778657437997885
Energy: 0.44984448061018223
Energy: 0.4425181158337955
Energy: 0.44984448061056714
Energy: 0.4425181158303314
Energy: 0.44984448061018223
Energy: 0.442518115832256
Energy: 0.3766516216459106
Energy: 0.45909190383492005
Energy: 0.3766516216462955
Energy: 0.45909190383876913
Energy: 0.3766516216462955
Energy: 0.4590919038356899
Energy: 0.40522456049703615
Energy: 0.39380007010334717
Energy: 0.405224560493572
Energy: 0.39380007010257734
Energy: 0.40522456049742106
Energy: 0.39380007010296225
Energy: 0.4625180921864237
Energy: 0.4439109453782205
Energy: 0.4625180921871935
Energy: 0.44391094537860537
Energy: 0.46251809218873313
Energy: 0.44391094537860537
Energy: 0.38483770815709634
Energy: 0.4926839296054331
Energy: 0.38483770289774166
Energy: 0.4926839296058181
Energy: 0.3848377205709425
Energy: 0.4926839296058181
Energy: 0.4212943857331592
Energy: 0.40559180596188005
Energy: 0.4212940553184642
Energy: 0.40559180593724603
Energy: 0.4212943891899994
Energy: 0.4055918059310875
Energy: 0.4240353043998182
Energy: 0.40010354237882806
Energy: 0.4240353043982785
Energy: 0.40010354237882806
Energy: 0.42403530439904835
Energy: 0.40010354237921286
Energy: 0.42507755342702874
Energy: 0.49098578616248767
Energy: 0.42507755344550424
Energy: 0.49098578616287264
Energy: 0.4250775534120524
Energy: 0.49098578616402727
Energy: 0.404786245859453
Energy: 0.40457483735293465
Energy: 0.4047862458598379
Energy: 0.40457483735408933
Energy: 0.4047862458590681
Energy: 0.4045748373479308
Energy: 0.40433863376415985
Energy: 0.38235763355157865
Energy: 0.4043386337645447
Energy: 0.38235763355157865
Energy: 0.40433863376415985
Energy: 0.38235763355157865
Energy: 0.39384846291718045
Energy: 0.4683502861169496
Energy: 0.39384846291910497
Energy: 0.4683502861127157
Energy: 0.39384846291910497
Energy: 0.4683502861150251
Energy: 0.3407092472894161
Energy: 0.3984379116254584
Energy: 0.3407092472894161
Energy: 0.3984379115092518
Energy: 0.3407092472882614
Energy: 0.3984379114584792
Energy: 0.3598466811834616
Energy: 0.36801784022692025
Energy: 0.35984668118307667
Energy: 0.3680178402265354
Energy: 0.35984668118269175
Energy: 0.36801784022692025
Energy: 0.36421969936603715
Energy: 0.4492534757471886
Energy: 0.36421975360673625
Energy: 0.44925347574680363
Energy: 0.36421985070156726
Energy: 0.4492534757471886
Energy: 0.40508637309863577
Energy: 0.48193003162793563
Energy: 0.33554931744215793
Energy: 0.48193003162793563
Energy: 0.40508637309517165
Energy: 0.48193003162793563
Energy: 0.4010902921031497
Energy: 0.36349314191539694
Energy: 0.4010902921031497
Energy: 0.36349314191539694
Energy: 0.40109029210353464
Energy: 0.36349314191501203
Energy: 0.355654437178726
Energy: 0.48162065270975996
Energy: 0.355654437178726
Energy: 0.48162065270975996
Energy: 0.355654437178726
Energy: 0.4816206527105298
Energy: 0.44298588522107935
Energy: 0.44164374103973664
Energy: 0.44298588522107935
Energy: 0.4416437410320385
Energy: 0.44298588522107935
Energy: 0.44164374104281595
Energy: 0.4005824319534598
Energy: 0.3838872995729057
Energy: 0.4005824319519203
Energy: 0.3838872995729057
Energy: 0.4005824319519203
Energy: 0.38388729957329054
Energy: 0.3371784100351713
Energy: 0.4046080940840842
Energy: 0.3371784100351713
Energy: 0.40460809409178233
Energy: 0.3371784100355562
Energy: 0.40460809409139736

minimum gb energy = 0.33554931744215793 eV
minimum distance =  2.55254090268747 Angstroms
sigma value = 81


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

Energy: 0.15995611754458902
Energy: 0.18152768679354422
Energy: 0.08365696943094578
Energy: 0.18152768679354422
Energy: 0.15995611754473366
Energy: 0.18152768679383352
Energy: 0.31494716130530354
Energy: 0.0853001740617439
Energy: 0.3149471613058659
Energy: 0.08530017406500628
Energy: 0.31494716130530354
Energy: 0.0853001740682526
Energy: 0.3397658338416363
Energy: 0.08393395271778355
Energy: 0.3397658338416363
Energy: 0.08393395271778355
Energy: 0.3397658338416363
Energy: 0.08393395271778355
Energy: 0.08365696943094578
Energy: 0.18152768679327105
Energy: 0.08365696943094578
Energy: 0.1815276867931264
Energy: 0.08365696943094578
Energy: 0.1815276867933996
Energy: 0.31494716130530354
Energy: 0.08530017409157141
Energy: 0.31494716130530354
Energy: 0.08530017409171603
Energy: 0.3149471613051588
Energy: 0.08530017409044645
Energy: 0.3397658338416363
Energy: 0.08393395271778355
Energy: 0.3397658338414916
Energy: 0.08393395271792818
Energy: 0.3397658338416363
Energy: 0.08393395271807282
Energy: 0.1599561175444444
Energy: 0.1815276867933996
Energy: 0.08365696943094578
Energy: 0.18152768679327105
Energy: 0.1599561175444444
Energy: 0.1815276867933996
Energy: 0.3149471613055928
Energy: 0.085300174126638
Energy: 0.3149471613058659
Energy: 0.08530017413200565
Energy: 0.3149471613055928
Energy: 0.08530017413073605
Energy: 0.33976583384190945
Energy: 0.08393395271763891
Energy: 0.3397658338420541
Energy: 0.08393395271778355
Energy: 0.3397658338417649
Energy: 0.08393395271763891
Energy: 0.08365696943094578
Energy: 0.18152768679354422
Energy: 0.08365696943094578
Energy: 0.18152768679354422
Energy: 0.08365696943094578
Energy: 0.18152768679368889

minimum gb energy = 0.08365696943094578 eV
minimum distance =  2.7898826667981 Angstroms
sigma value = 3


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

Energy: 0.44852390222634775
Energy: 0.39089686712447075
Energy: 0.44852390222550126
Energy: 0.39089686712404753
Energy: 0.44852390222592453
Energy: 0.39089686712447075
Energy: 0.4178741125088552
Energy: 0.42518961313716264
Energy: 0.41787411239125943
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Energy: 0.41787411249573553
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Energy: 0.4274519755300123
Energy: 0.42630640925909213
Energy: 0.40987530955488616
Energy: 0.4263064092578225
Energy: 0.4098753095540398
Energy: 0.42630640925909213
Energy: 0.42676437707363735
Energy: 0.3994399583775277
Energy: 0.42676437707363735
Energy: 0.39943995837795093
Energy: 0.42676437707363735
Energy: 0.3994399583775277
Energy: 0.3832474893484373
Energy: 0.4257778020228989
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Energy: 0.4257778020237454
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Energy: 0.4257778020228989
Energy: 0.41003338050985266
Energy: 0.41009900840174146
Energy: 0.41003338050942956
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Energy: 0.41003338050985266
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Energy: 0.42319119607914996
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Energy: 0.4231911960787267
Energy: 0.41508737059397277
Energy: 0.42319119607914996
Energy: 0.354969578072295
Energy: 0.4264552885798713
Energy: 0.35496957807271823
Energy: 0.4264552885802945
Energy: 0.35496957807271823
Energy: 0.4264552885769088
Energy: 0.41402827460054337
Energy: 0.41200121473969525
Energy: 0.41402827460012015
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Energy: 0.35296111880059283
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Energy: 0.3529611188010161
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Energy: 0.41778628442928634
Energy: 0.41447338615975726
Energy: 0.41778628442970955
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Energy: 0.4193690819043915
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Energy: 0.3512660931504356
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Energy: 0.41789775828702286
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Energy: 0.44020106341175386
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Energy: 0.39993454337251555
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Energy: 0.38384223442166737
Energy: 0.4157857402429333
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Energy: 0.40128893211991484
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Energy: 0.4153947728821826
Energy: 0.40734965205120166
Energy: 0.41539477288302906
Energy: 0.40734965205077844
Energy: 0.41539477288302906
Energy: 0.36892417450285375
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Energy: 0.4214018826174675
Energy: 0.39737959526464167
Energy: 0.41916185438357506
Energy: 0.39737959526464167
Energy: 0.4191618543839983
Energy: 0.39737959526506494
Energy: 0.41916185438357506
Energy: 0.4110179758883474
Energy: 0.424801566476177
Energy: 0.41101797588792416
Energy: 0.424801566476177
Energy: 0.41101797588792416
Energy: 0.424801566476177

minimum gb energy = 0.3512660931504356 eV
minimum distance =  2.65205060609313 Angstroms
sigma value = 67


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

Energy: 0.5208544373624198
Energy: 0.4613259042417753
Energy: 0.5208544373684499
Energy: 0.4613259042417753
Energy: 0.5208544373684499
Energy: 0.46132590424237835
Energy: 0.4598180168331677
Energy: 0.4863907371309801
Energy: 0.45981801683377077
Energy: 0.48639073713037706
Energy: 0.45981801683377077
Energy: 0.4863907371321861
Energy: 0.4811550509581716
Energy: 0.4859238100578523
Energy: 0.4811550509581716
Energy: 0.4859238100584553
Energy: 0.4811550509581716
Energy: 0.4859238100596614
Energy: 0.4904782633691447
Energy: 0.45483457291420903
Energy: 0.4904782633691447
Energy: 0.45483457291420903
Energy: 0.4904782633691447
Energy: 0.454834572913606
Energy: 0.44765654486263756
Energy: 0.4882045088531796
Energy: 0.44765654486263756
Energy: 0.4882045088537827
Energy: 0.44765654486324064
Energy: 0.4882045088531796
Energy: 0.4940994082779825
Energy: 0.486293943047128
Energy: 0.49409940827858545
Energy: 0.4862939430465249
Energy: 0.49409940827858545
Energy: 0.486293943047128
Energy: 0.4808858576995017
Energy: 0.4902528326208011
Energy: 0.4808858576995017
Energy: 0.4902528326208011
Energy: 0.4808858576995017
Energy: 0.4902528326208011
Energy: 0.4699439563254682
Energy: 0.48775937816351894
Energy: 0.4699439563254682
Energy: 0.487759378164122
Energy: 0.4699439563254682
Energy: 0.487759378164122
Energy: 0.49406998860356616
Energy: 0.49316701677166397
Energy: 0.4940699886041692
Energy: 0.49316701677226704
Energy: 0.4940699886041692
Energy: 0.49316701677226704
Energy: 0.4772315781949476
Energy: 0.42109158879878356
Energy: 0.47723157819434464
Energy: 0.4210915887981806
Energy: 0.47723157819434464
Energy: 0.4210915887981806
Energy: 0.49448379354290956
Energy: 0.4820158220815051
Energy: 0.4944837935423065
Energy: 0.4820158220815051
Energy: 0.4944837935423065
Energy: 0.4820158220815051
Energy: 0.4771988829479834
Energy: 0.47653336932858903
Energy: 0.4771988829479834
Energy: 0.47653336932858903
Energy: 0.47719888294738033
Energy: 0.47653336932858903
Energy: 0.47712467343371695
Energy: 0.48015462776743706
Energy: 0.47712467343371695
Energy: 0.48015462776743706
Energy: 0.47712467343371695
Energy: 0.48015462776743706
Energy: 0.48589707873859556
Energy: 0.49687383017409337
Energy: 0.4858970787391986
Energy: 0.4968738301801237
Energy: 0.4858970787391986
Energy: 0.49687383017409337
Energy: 0.4606141177332324
Energy: 0.45720071268647544
Energy: 0.4606141177332324
Energy: 0.4572007126834603
Energy: 0.4606141177332324
Energy: 0.45720071268587237
Energy: 0.49200644380877556
Energy: 0.4758150651734709
Energy: 0.4920064438081725
Energy: 0.4758150651734709
Energy: 0.4920064438081725
Energy: 0.4758150651734709
Energy: 0.4553432074163014
Energy: 0.5003061647868593
Energy: 0.4553432074163014
Energy: 0.5003061647868593
Energy: 0.4553432074163014
Energy: 0.5003061647880654
Energy: 0.4754957652563152
Energy: 0.44878266895052804
Energy: 0.47549576525752124
Energy: 0.44878266895052804
Energy: 0.47549576525752124
Energy: 0.44878266895052804
Energy: 0.48457250868212004
Energy: 0.4933773317519126
Energy: 0.4845725086827231
Energy: 0.4933773317519126
Energy: 0.4845725086833262
Energy: 0.4933773317519126
Energy: 0.49542598963908957
Energy: 0.4980884016382381
Energy: 0.49542598963908957
Energy: 0.4980884016382381
Energy: 0.49542598963908957
Energy: 0.4980884016382381
Energy: 0.5168385845059696
Energy: 0.4503014026617317
Energy: 0.5168385845059696
Energy: 0.4503014026623347
Energy: 0.5168385845065726
Energy: 0.4503014026623347
Energy: 0.49510664729588505
Energy: 0.5151629361876229
Energy: 0.49510664729528203
Energy: 0.5151629361870199
Energy: 0.49510664729528203
Energy: 0.5151629361864168
Energy: 0.42916721656651896
Energy: 0.4969820356680194
Energy: 0.429167216567122
Energy: 0.4969820356680194
Energy: 0.429167216567122
Energy: 0.4969820356680194

minimum gb energy = 0.4210915887981806 eV
minimum distance =  2.59277966410906 Angstroms
sigma value = 33


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

Energy: 0.5524288663300143
Energy: 0.481735811689385
Energy: 0.5524288663292493
Energy: 0.4817358116897675
Energy: 0.5524288663300143
Energy: 0.4817358116897675
Energy: 0.4949060709055007
Energy: 0.5188879255492729
Energy: 0.4949060709055007
Energy: 0.5188879255492729
Energy: 0.4949060709055007
Energy: 0.5188879255492729
Energy: 0.5268695646216168
Energy: 0.5184033899763103
Energy: 0.5268695646212342
Energy: 0.5184033899766928
Energy: 0.5268695646212342
Energy: 0.5184033899766928
Energy: 0.5284667162406963
Energy: 0.48766284317816405
Energy: 0.5284667162399312
Energy: 0.48766284317816405
Energy: 0.5284667162399312
Energy: 0.48766284317816405
Energy: 0.4927520494758121
Energy: 0.5340663764809338
Energy: 0.49275204947542955
Energy: 0.5340663764809338
Energy: 0.49275204947542955
Energy: 0.5340663764813163
Energy: 0.5551231512791132
Energy: 0.5339413102070889
Energy: 0.5551231512798784
Energy: 0.5446938429517584
Energy: 0.5551231512798784
Energy: 0.5466259241326256
Energy: 0.5281449030834127
Energy: 0.5375849006669778
Energy: 0.5281449030834127
Energy: 0.5375849006669778
Energy: 0.5281449030826475
Energy: 0.5375849006669778
Energy: 0.5164647716818601
Energy: 0.5239144827307075
Energy: 0.5164647716818601
Energy: 0.5239144827307075
Energy: 0.5164647716814776
Energy: 0.5239144827307075
Energy: 0.5135515304629567
Energy: 0.5326223525217779
Energy: 0.5135515304633391
Energy: 0.5326223525217779
Energy: 0.5135515304633391
Energy: 0.5326223525213954
Energy: 0.5519533664838542
Energy: 0.5378898555155541
Energy: 0.551953366485767
Energy: 0.5496126045905896
Energy: 0.5519533664800287
Energy: 0.5361642691709354
Energy: 0.5271833075657556
Energy: 0.5271862042006966
Energy: 0.5271833075657556
Energy: 0.5271862039337799
Energy: 0.5271833075657556
Energy: 0.527186205473655
Energy: 0.49321156723544957
Energy: 0.49670299624549036
Energy: 0.49321156723506704
Energy: 0.49670299624549036
Energy: 0.49321156723544957
Energy: 0.49670299624510783
Energy: 0.5254808014895781
Energy: 0.5005292387806104
Energy: 0.525480801488048
Energy: 0.5005292387806104
Energy: 0.525480801488813
Energy: 0.5005292387806104
Energy: 0.5085113140283697
Energy: 0.509755710275801
Energy: 0.5085113140283697
Energy: 0.509755710275801
Energy: 0.5085113140291347
Energy: 0.509755710275801
Energy: 0.5053015022044686
Energy: 0.497654472382153
Energy: 0.5053015022048511
Energy: 0.497654472382153
Energy: 0.5053015022052335
Energy: 0.4976544723825356
Energy: 0.5285878036571603
Energy: 0.5273012435942462
Energy: 0.5285878036571603
Energy: 0.5273012435946288
Energy: 0.5285878036567777
Energy: 0.5273012435946288
Energy: 0.48739447329220753
Energy: 0.5280611710865593
Energy: 0.48739447329259006
Energy: 0.5280611710854116
Energy: 0.4873944732929726
Energy: 0.5280611710857941
Energy: 0.5436517647032066
Energy: 0.542342242227037
Energy: 0.5436517647032066
Energy: 0.542342242227037
Energy: 0.5436517647028241
Energy: 0.5423422422266544
Energy: 0.4955862638558162
Energy: 0.5444838828149288
Energy: 0.4955862638550511
Energy: 0.5444838828145461
Energy: 0.4955862638374537
Energy: 0.5444838828145461
Energy: 0.538104502606717
Energy: 0.5189693472432384
Energy: 0.538104502606717
Energy: 0.5189693472432384
Energy: 0.538104502606717
Energy: 0.5189693472432384
Energy: 0.5209172637342873
Energy: 0.5261150069003879
Energy: 0.5209172637339048
Energy: 0.5261150069003879
Energy: 0.5209172637339048
Energy: 0.5261150069003879
Energy: 0.5156503741893623
Energy: 0.48649439427860797
Energy: 0.5156503741893623
Energy: 0.4864943942782254
Energy: 0.5156503741885973
Energy: 0.4864943942782254
Energy: 0.4842209420919888
Energy: 0.5284845775888489
Energy: 0.48422094209237143
Energy: 0.5284845775888489
Energy: 0.48422094209237143
Energy: 0.5284845775888489
Energy: 0.5385676553023431
Energy: 0.4919120472694988
Energy: 0.5385676553023431
Energy: 0.4919120472698813
Energy: 0.5385676553019605
Energy: 0.4919120472694988
Energy: 0.5208393507946077
Energy: 0.49869139883068475
Energy: 0.520839350794225
Energy: 0.4986913988310674
Energy: 0.520839350794225
Energy: 0.4986913988310674
Energy: 0.484316164466157
Energy: 0.538481182498829
Energy: 0.4843161644657744
Energy: 0.538481182498829
Energy: 0.484316164466157
Energy: 0.5384811824992115
Energy: 0.5290586592032286
Energy: 0.4879092383830582
Energy: 0.529058659203611
Energy: 0.4879092383830582
Energy: 0.5290586592032286
Energy: 0.4879092383830582
Energy: 0.5408017222670715
Energy: 0.5518510999783645
Energy: 0.5408017222678365
Energy: 0.5518510999791296
Energy: 0.5408017222682191
Energy: 0.5518510999783645
Energy: 0.5409818021641036
Energy: 0.5344198869057789
Energy: 0.5409818021637213
Energy: 0.5344198869053963
Energy: 0.5409818021835792
Energy: 0.5344198869057789
Energy: 0.4981170706808673
Energy: 0.5121425876832593
Energy: 0.49811707069310895
Energy: 0.5121425876832593
Energy: 0.4981170707225654
Energy: 0.5121425876836418
Energy: 0.554860802312419
Energy: 0.5425286103702133
Energy: 0.5548608023120364
Energy: 0.542528610370596
Energy: 0.5548608023116539
Energy: 0.542528610370596
Energy: 0.5251006991273789
Energy: 0.519444349760826
Energy: 0.5251006991250835
Energy: 0.5194443497604434
Energy: 0.5251006991262311
Energy: 0.5194443497604434
Energy: 0.5249805025871966
Energy: 0.526223234427587
Energy: 0.5249805025871966
Energy: 0.5262232344252917
Energy: 0.5249805025871966
Energy: 0.5262232344256743
Energy: 0.5058802321813612
Energy: 0.5187118769285312
Energy: 0.5058802321813612
Energy: 0.5187118769285312
Energy: 0.5058802321813612
Energy: 0.5187118769289139
Energy: 0.4918504699833593
Energy: 0.5184787537857687
Energy: 0.49185046998297666
Energy: 0.5184787537857687
Energy: 0.4918504699833593
Energy: 0.5184787537857687
Energy: 0.5434642727170037
Energy: 0.5019701820406436
Energy: 0.543464272711648
Energy: 0.5019701820406436
Energy: 0.5434642727101179
Energy: 0.5019701820406436
Energy: 0.49162252184234523
Energy: 0.4972371521565611
Energy: 0.4916225218431103
Energy: 0.49723715215809133
Energy: 0.49162252184272776
Energy: 0.49723715215809133

minimum gb energy = 0.481735811689385 eV
minimum distance =  2.63696202754413 Angstroms
sigma value = 41


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

Energy: 0.5882162799874826
Energy: 0.5392914940311979
Energy: 0.5882162799885272
Energy: 0.5392914940311979
Energy: 0.5882162799874826
Energy: 0.5392914940311979
Energy: 0.5419704676096534
Energy: 0.5663570771808589
Energy: 0.5419704676096534
Energy: 0.5663570771808589
Energy: 0.5419704676096534
Energy: 0.5663570771808589
Energy: 0.6138877875662402
Energy: 0.5660997452150095
Energy: 0.6166156797652124
Energy: 0.566099745213965
Energy: 0.5980587159298522
Energy: 0.566099745213965
Energy: 0.5861621967957354
Energy: 0.5989179191777059
Energy: 0.5861621967957354
Energy: 0.5989179191777059
Energy: 0.5861621967946911
Energy: 0.5989179191777059
Energy: 0.5964945420430937
Energy: 0.571966638051978
Energy: 0.5964945420410049
Energy: 0.571966638051978
Energy: 0.5964945420430937
Energy: 0.571966638051978
Energy: 0.5953479730616928
Energy: 0.5799146971897269
Energy: 0.5953479730616928
Energy: 0.5799146971907713
Energy: 0.5953479730616928
Energy: 0.5799146971918159
Energy: 0.5789890365539841
Energy: 0.5961029182467382
Energy: 0.5789890365539841
Energy: 0.5961029182467382
Energy: 0.5789890365539841
Energy: 0.5961029182467382
Energy: 0.5620403986238526
Energy: 0.5652634323029049
Energy: 0.5620403986238526
Energy: 0.5652634323039493
Energy: 0.5620403986238526
Energy: 0.5652634323049939
Energy: 0.5445594898912479
Energy: 0.5373339128276168
Energy: 0.5445594898912479
Energy: 0.5373339128286614
Energy: 0.5445594898912479
Energy: 0.5373339128286614
Energy: 0.5803099209631519
Energy: 0.5508038329068298
Energy: 0.5803099209631519
Energy: 0.5508038329068298
Energy: 0.5803099209631519
Energy: 0.5508038329068298
Energy: 0.5435938322546378
Energy: 0.5663571999228945
Energy: 0.5435938322556821
Energy: 0.5663571999228945
Energy: 0.5435938322546378
Energy: 0.5663571999228945
Energy: 0.5668075412977331
Energy: 0.5661086564103768
Energy: 0.5668075412977331
Energy: 0.5661086564093323
Energy: 0.5668075412977331
Energy: 0.5661086564093323
Energy: 0.5909016864573383
Energy: 0.5611190465825999
Energy: 0.5909016864573383
Energy: 0.5611190465825999
Energy: 0.5909016864573383
Energy: 0.5611190465825999
Energy: 0.598344532655223
Energy: 0.5743228637554537
Energy: 0.598344532655223
Energy: 0.5743228637564981
Energy: 0.598344532655223
Energy: 0.5743228637564981

minimum gb energy = 0.5373339128276168 eV
minimum distance =  2.51559121548925 Angstroms
sigma value = 11


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

Energy: 0.6020195230405495
Energy: 0.5922690575101632
Energy: 0.6020195230405495
Energy: 0.592269057516128
Energy: 0.6020195230405495
Energy: 0.5922690575294344
Energy: 0.5537295819585953
Energy: 0.5829901609185704
Energy: 0.553729581959513
Energy: 0.5829901609176527
Energy: 0.5537295819599719
Energy: 0.5829901609181115
Energy: 0.617232708610516
Energy: 0.5759386158495359
Energy: 0.602105521227532
Energy: 0.5759386158495359
Energy: 0.6172327086086807
Energy: 0.5759386158490771
Energy: 0.5802412713091061
Energy: 0.5608709669009633
Energy: 0.5802412713086473
Energy: 0.5608709669023398
Energy: 0.5802412713086473
Energy: 0.5608709669027988
Energy: 0.6171954048517853
Energy: 0.5819819764804033
Energy: 0.6171954048517853
Energy: 0.5819819764808623
Energy: 0.617195404852244
Energy: 0.5819819764804033
Energy: 0.5917824014939315
Energy: 0.6017357217025019
Energy: 0.5917824014939315
Energy: 0.6017357217025019
Energy: 0.5917824014939315
Energy: 0.6017357217025019
Energy: 0.5838168808526796
Energy: 0.5699101372300379
Energy: 0.5838168808476323
Energy: 0.5699101372304969
Energy: 0.5838168808457971
Energy: 0.5699101372304969
Energy: 0.5658285550731398
Energy: 0.5837249729105416
Energy: 0.5658285550731398
Energy: 0.5837249729110005
Energy: 0.5658285550731398
Energy: 0.5837249729110005
Energy: 0.5723367538097249
Energy: 0.5966757185546672
Energy: 0.5723367538092661
Energy: 0.5966757185546672
Energy: 0.5723367538092661
Energy: 0.5966757185551259
Energy: 0.5793086625047336
Energy: 0.578568748161394
Energy: 0.5793086625042747
Energy: 0.5785687481618529
Energy: 0.5793086625047336
Energy: 0.578568748161394
Energy: 0.5718843233200399
Energy: 0.5876436750598365
Energy: 0.5718843233200399
Energy: 0.5876436750612131
Energy: 0.5718843233204988
Energy: 0.587643675061672
Energy: 0.5956860178591912
Energy: 0.6030827435044466
Energy: 0.5956860178591912
Energy: 0.6030827435044466
Energy: 0.5956860178591912
Energy: 0.6030827435049054
Energy: 0.5755829493479633
Energy: 0.5674368809158084
Energy: 0.5755829493465868
Energy: 0.5674368809158084
Energy: 0.5755829493475045
Energy: 0.5674368809153495
Energy: 0.6013995561672916
Energy: 0.5868717291933573
Energy: 0.6013995561672916
Energy: 0.5868717291933573
Energy: 0.6013995561672916
Energy: 0.5868717291892486
Energy: 0.5656232101702389
Energy: 0.5743486495592716
Energy: 0.5649581111472547
Energy: 0.5743486495592716
Energy: 0.5649581111467957
Energy: 0.5743486495588126
Energy: 0.5831968561156331
Energy: 0.6120538366586231
Energy: 0.5831968561156331
Energy: 0.612053836659082
Energy: 0.5831968561151745
Energy: 0.6120538366586231
Energy: 0.5701699341643264
Energy: 0.5828977498455457
Energy: 0.5701699341652441
Energy: 0.5828977498464633
Energy: 0.5701699341647851
Energy: 0.5828977498460044
Energy: 0.583059887117785
Energy: 0.5860169945719563
Energy: 0.5830598871182437
Energy: 0.5860169945719563
Energy: 0.5830598871182437
Energy: 0.5860169945714976
Energy: 0.5837881246665934
Energy: 0.5532706699638258
Energy: 0.5837881246670521
Energy: 0.553270669968873
Energy: 0.5837881246665934
Energy: 0.5532706699674964
Energy: 0.6107215795012083
Energy: 0.5791657569926332
Energy: 0.6107215795007496
Energy: 0.579165756993092
Energy: 0.6107215795007496
Energy: 0.579165756993092
Energy: 0.5608134755301547
Energy: 0.5651757878030689
Energy: 0.5608134755301547
Energy: 0.5651757878035277
Energy: 0.5608134755315313
Energy: 0.5651757878035277
Energy: 0.5978556715355503
Energy: 0.588737468116752
Energy: 0.5978556715350914
Energy: 0.588737468116752
Energy: 0.5978556715341738
Energy: 0.588737468116752
Energy: 0.5580208898156065
Energy: 0.5722223573880724
Energy: 0.5580208898151476
Energy: 0.5722223573880724
Energy: 0.5580208898156065
Energy: 0.5722223573885312
Energy: 0.5835330718789367
Energy: 0.5823842078674739
Energy: 0.5835330718793954
Energy: 0.5823842078624266
Energy: 0.5835330718793954
Energy: 0.5823842078651796
Energy: 0.585870574491924
Energy: 0.6052761973218804
Energy: 0.585870574491924
Energy: 0.6052761973214217
Energy: 0.585870574491924
Energy: 0.6052761973214217
Energy: 0.5656713629415775
Energy: 0.5786239650247773
Energy: 0.5656713629415775
Energy: 0.5786239650302833
Energy: 0.5656713629415775
Energy: 0.5786239650252362
Energy: 0.5897416714290604
Energy: 0.5927767181351717
Energy: 0.5897416714286016
Energy: 0.5927767181356306
Energy: 0.5897416714286016
Energy: 0.5927767181347129
Energy: 0.5797478501786941
Energy: 0.5565272458557244
Energy: 0.5797478501791531
Energy: 0.5565272458557244
Energy: 0.5797478501786941
Energy: 0.5565272458557244
Energy: 0.5760951169082603
Energy: 0.5889122008157892
Energy: 0.5760951169082603
Energy: 0.5889122008167069
Energy: 0.5760951169082603
Energy: 0.5889122008148715
Energy: 0.5655056967661496
Energy: 0.5531982990950182
Energy: 0.5655056967656908
Energy: 0.5531982990950182
Energy: 0.5655056967656908
Energy: 0.553198299095477
Energy: 0.5794594303822004
Energy: 0.6038766101554536
Energy: 0.5794594303817415
Energy: 0.6038766101554536
Energy: 0.5794594303817415
Energy: 0.6038766101554536

minimum gb energy = 0.5531982990950182 eV
minimum distance =  2.51067863346018 Angstroms
sigma value = 57


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

Energy: 0.5184219282792496
Energy: 0.5074920791661043
Energy: 0.5184219282792496
Energy: 0.5074920791661043
Energy: 0.5184219282800661
Energy: 0.5074920791661043
Energy: 0.5878924369024545
Energy: 0.5769680414064959
Energy: 0.5878924369024545
Energy: 0.5769680414056794
Energy: 0.5878924369024545
Energy: 0.5769680414056794
Energy: 0.5461538103914989
Energy: 0.532901295198442
Energy: 0.5461538103914989
Energy: 0.532901295198442
Energy: 0.5461538103914989
Energy: 0.532901295198442
Energy: 0.51299247388465
Energy: 0.5245741027087932
Energy: 0.51299247388465
Energy: 0.613556788331339
Energy: 0.51299247388465
Energy: 0.5245741027104263
Energy: 0.5476486219623639
Energy: 0.532907306281435
Energy: 0.5476486219631803
Energy: 0.5329073062806184
Energy: 0.5476486219623639
Energy: 0.532907306281435
Energy: 0.5878489298771267
Energy: 0.5653055222433553
Energy: 0.5878489298779431
Energy: 0.563445903111865
Energy: 0.5878489298779431
Energy: 0.5169262719187965
Energy: 0.5184219282792496
Energy: 0.5074920791661043
Energy: 0.5184219282792496
Energy: 0.5074920791661043
Energy: 0.5184219282792496
Energy: 0.5074920791661043
Energy: 0.5878924369024545
Energy: 0.5769680414064959
Energy: 0.5878924369024545
Energy: 0.5769680414064959
Energy: 0.5878924369024545
Energy: 0.5769680414064959
Energy: 0.5461538103914989
Energy: 0.532901295198442
Energy: 0.5461538103914989
Energy: 0.5329012951976254
Energy: 0.5461538103914989
Energy: 0.532901295198442
Energy: 0.51299247388465
Energy: 0.5103364496596434
Energy: 0.51299247388465
Energy: 0.5103364496596434
Energy: 0.51299247388465
Energy: 0.5103364496596434
Energy: 0.5476486219623639
Energy: 0.5329073062806184
Energy: 0.5476486219623639
Energy: 0.5329073062806184
Energy: 0.5476486219623639
Energy: 0.5329073062806184
Energy: 0.5878489298771267
Energy: 0.5169262719187965
Energy: 0.5878489298779431
Energy: 0.5169262719187965
Energy: 0.5878489298771267
Energy: 0.51692627191798
Energy: 0.5184219282800661
Energy: 0.5074920791661043
Energy: 0.5184219282800661
Energy: 0.5074920791661043
Energy: 0.5184219282792496
Energy: 0.5074920791661043
Energy: 0.5878924369024545
Energy: 0.5769680414064959
Energy: 0.5878924369024545
Energy: 0.5769680414064959
Energy: 0.5878924369024545
Energy: 0.5769680414064959
Energy: 0.5461538103914989
Energy: 0.532901295198442
Energy: 0.5461538103914989
Energy: 0.532901295198442
Energy: 0.5461538103914989
Energy: 0.5329012951976254
Energy: 0.51299247388465
Energy: 0.5103364496596434
Energy: 0.5129924738854664
Energy: 0.5103364496596434
Energy: 0.51299247388465
Energy: 0.5103364496604599
Energy: 0.5476486219631803
Energy: 0.532907306281435
Energy: 0.5476486219631803
Energy: 0.5329073062806184
Energy: 0.5476486219623639
Energy: 0.532907306281435

minimum gb energy = 0.5074920791661043 eV
minimum distance =  2.58668027559687 Angstroms
sigma value = 9


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

Energy: 0.5833407751896363
Energy: 0.548696619345832
Energy: 0.583340775190303
Energy: 0.5486966193464988
Energy: 0.583340775190303
Energy: 0.548696619345832
Energy: 0.5693887157269748
Energy: 0.5711263298345459
Energy: 0.5693887157263082
Energy: 0.5711263298352126
Energy: 0.5693887157263082
Energy: 0.5711263298345459
Energy: 0.573410303236066
Energy: 0.5641275026034482
Energy: 0.6245802634909438
Energy: 0.5641275026027815
Energy: 0.624580263490277
Energy: 0.5641275026027815
Energy: 0.5630630052726013
Energy: 0.5971375112744411
Energy: 0.5630630052739348
Energy: 0.597137511275108
Energy: 0.5630630052732681
Energy: 0.5971375112744411
Energy: 0.5617963641390773
Energy: 0.5702593345649632
Energy: 0.5617963641390773
Energy: 0.57025933456363
Energy: 0.5617963641390773
Energy: 0.5702593345642967
Energy: 0.5650520068011641
Energy: 0.571437614092364
Energy: 0.5650520068018307
Energy: 0.5714376140930306
Energy: 0.5650520068011641
Energy: 0.571437614092364
Energy: 0.5625733787863058
Energy: 0.598367015541678
Energy: 0.5625733787869724
Energy: 0.5983670155423447
Energy: 0.5625733787863058
Energy: 0.5983670155423447
Energy: 0.5611147416845775
Energy: 0.5816089196918091
Energy: 0.5611147416852442
Energy: 0.5816089196918091
Energy: 0.561114741685911
Energy: 0.5816089196911424
Energy: 0.6313886827494527
Energy: 0.5810177311941367
Energy: 0.6313886827501195
Energy: 0.5810177311948033
Energy: 0.6313886827501195
Energy: 0.58101773119547
Energy: 0.5633494548286861
Energy: 0.5722785048678998
Energy: 0.5633494548293528
Energy: 0.5722785048678998
Energy: 0.5633494548286861
Energy: 0.5722785048678998
Energy: 0.5517950594383365
Energy: 0.5714533275455751
Energy: 0.5517950594383365
Energy: 0.5714533275455751
Energy: 0.5517950594396699
Energy: 0.5714533275455751
Energy: 0.595189661955852
Energy: 0.5775633825064559
Energy: 0.595189661955852
Energy: 0.5775633825057893
Energy: 0.5951896619551854
Energy: 0.5775633825064559
Energy: 0.5707574324398552
Energy: 0.6377187582663763
Energy: 0.5707574324398552
Energy: 0.6377187588734459
Energy: 0.5707574324391886
Energy: 0.6377187583123769
Energy: 0.5635262703510099
Energy: 0.5685721804707976
Energy: 0.5635262703510099
Energy: 0.5685721804714644
Energy: 0.5635262703510099
Energy: 0.5685721804707976
Energy: 0.5917146519086376
Energy: 0.5694671566036864
Energy: 0.5917146519093043
Energy: 0.5694671566036864
Energy: 0.5917146519086376
Energy: 0.5694671566023531
Energy: 0.5857701414298484
Energy: 0.5662454275287371
Energy: 0.5857701414291817
Energy: 0.5662454275287371
Energy: 0.5857701414298484
Energy: 0.5662454275287371
Energy: 0.578573116107537
Energy: 0.5668454528851959
Energy: 0.578573116105537
Energy: 0.5668454528851959
Energy: 0.5785731161068703
Energy: 0.5668454528851959
Energy: 0.6129345078590726
Energy: 0.575239301301392
Energy: 0.6129345078590726
Energy: 0.5752393013020586
Energy: 0.6129345078590726
Energy: 0.575239301301392
Energy: 0.5573688923986447
Energy: 0.5715476142824466
Energy: 0.5573688923993114
Energy: 0.5715476142837799
Energy: 0.5573688923993114
Energy: 0.5715476142837799
Energy: 0.5630090350238478
Energy: 0.5497055826421868
Energy: 0.563009035023181
Energy: 0.5497055826428535
Energy: 0.5630090350238478
Energy: 0.5497055826421868
Energy: 0.5936115982681397
Energy: 0.576132427099259
Energy: 0.5936115982681397
Energy: 0.576132427099259
Energy: 0.5936115982681397
Energy: 0.576132427099259

minimum gb energy = 0.548696619345832 eV
minimum distance =  2.58777918504747 Angstroms
sigma value = 27


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

Energy: 0.6028345588912879
Energy: 0.618208301648361
Energy: 0.6028345588862303
Energy: 0.618208301648361
Energy: 0.602834558910931
Energy: 0.618208301648361
Energy: 0.5838609995535403
Energy: 0.5818239275052537
Energy: 0.5838609995529782
Energy: 0.5818239275052537
Energy: 0.5838609995529782
Energy: 0.5818239275052537
Energy: 0.5674354814484961
Energy: 0.5597118516865874
Energy: 0.5674354814484961
Energy: 0.5597118516854634
Energy: 0.5674354814484961
Energy: 0.5597118516860254
Energy: 0.5660513451586704
Energy: 0.5780358092243251
Energy: 0.5660513451581085
Energy: 0.5780358092226392
Energy: 0.5660513451592324
Energy: 0.5780358092226392
Energy: 0.5599815392624279
Energy: 0.5671352239229799
Energy: 0.5599815392624279
Energy: 0.5671352239229799
Energy: 0.5599815392624279
Energy: 0.5671352239229799
Energy: 0.5687526119389069
Energy: 0.5883114756517371
Energy: 0.5687526119389069
Energy: 0.5883114756517371
Energy: 0.5687526119389069
Energy: 0.5883114756506131
Energy: 0.5774859328811166
Energy: 0.580516185498105
Energy: 0.5774859328828024
Energy: 0.5805161854975431
Energy: 0.5774859328816786
Energy: 0.5805161854975431
Energy: 0.5786978594673577
Energy: 0.5641537069633261
Energy: 0.5786978594667959
Energy: 0.5641537069638881
Energy: 0.5786978594662339
Energy: 0.5641537069638881
Energy: 0.5635995644047239
Energy: 0.5681074149926046
Energy: 0.5635995644052858
Energy: 0.5681074149926046
Energy: 0.5635995644052858
Energy: 0.5681074149920426
Energy: 0.5661133675798545
Energy: 0.565765667210245
Energy: 0.5661133675804166
Energy: 0.5657656672079974
Energy: 0.5661133675804166
Energy: 0.5657656672085593
Energy: 0.5660083951155948
Energy: 0.5736275194730486
Energy: 0.5660083951150328
Energy: 0.5736275194730486
Energy: 0.5660083951155948
Energy: 0.5736275194696769
Energy: 0.5835374363386014
Energy: 0.5757608581876791
Energy: 0.5835374363391634
Energy: 0.5757608581871171
Energy: 0.5835374363380395
Energy: 0.5757608581871171
Energy: 0.58045091667274
Energy: 0.5786437351796053
Energy: 0.58045091667274
Energy: 0.5786437351796053
Energy: 0.58045091667274
Energy: 0.5786437351801672
Energy: 0.5659468659733228
Energy: 0.5610168438380521
Energy: 0.5659468659738847
Energy: 0.5610168438380521
Energy: 0.5659468659733228
Energy: 0.5610168438386139
Energy: 0.5691907820982863
Energy: 0.592831102528014
Energy: 0.5691907820982863
Energy: 0.592831102527452
Energy: 0.5691907820988483
Energy: 0.592831102528014
Energy: 0.5827961830750251
Energy: 0.5691274232709463
Energy: 0.5827961830750251
Energy: 0.5691274232709463
Energy: 0.5827961830750251
Energy: 0.5691274232709463
Energy: 0.5774198516159365
Energy: 0.5638692639135527
Energy: 0.5774198516153745
Energy: 0.5638692639135527
Energy: 0.5774198516153745
Energy: 0.5638692639141146
Energy: 0.5805088301992517
Energy: 0.5596455325123431
Energy: 0.5805088301981278
Energy: 0.5596455325123431
Energy: 0.5805088301986898
Energy: 0.5596455325123431
Energy: 0.553364271709411
Energy: 0.5600791789120795
Energy: 0.5533642717099732
Energy: 0.5600791789120795
Energy: 0.553364271709411
Energy: 0.5600791789126414
Energy: 0.6028345587306184
Energy: 0.618208301648361
Energy: 0.6028345587452294
Energy: 0.618208301648361
Energy: 0.6028345587216526
Energy: 0.618208301648361
Energy: 0.5838609995529782
Energy: 0.5818239275058158
Energy: 0.5838609995535403
Energy: 0.5818239275058158
Energy: 0.5838609995535403
Energy: 0.5818239275058158
Energy: 0.5674354814484961
Energy: 0.5597118516860254
Energy: 0.5674354814484961
Energy: 0.5597118516849016
Energy: 0.5674354814484961
Energy: 0.5597118516854634
Energy: 0.5660513451581085
Energy: 0.5780358092243251
Energy: 0.5660513451581085
Energy: 0.5780358092226392
Energy: 0.5660513451581085
Energy: 0.5780358092226392
Energy: 0.5599815392624279
Energy: 0.5671352239229799
Energy: 0.5599815392618659
Energy: 0.5671352239229799
Energy: 0.5599815392629899
Energy: 0.5671352239229799
Energy: 0.5687526119389069
Energy: 0.5883114756517371
Energy: 0.5687526119389069
Energy: 0.5883114756517371
Energy: 0.5687526119389069
Energy: 0.588311475652299

minimum gb energy = 0.553364271709411 eV
minimum distance =  2.59924854328355 Angstroms
sigma value = 19


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

Energy: 0.5654711660448127
Energy: 0.5838306614705924
Energy: 0.5654711660448127
Energy: 0.5838306614681669
Energy: 0.5654711660448127
Energy: 0.5838306614696223
Energy: 0.5819496755954815
Energy: 0.5652517485016215
Energy: 0.5819496755959666
Energy: 0.5652517485021066
Energy: 0.5819496755959666
Energy: 0.5652517485016215
Energy: 0.5714666369815233
Energy: 0.5414276119796275
Energy: 0.6162917614568548
Energy: 0.5414276119786574
Energy: 0.5758300276112595
Energy: 0.5414276119781724
Energy: 0.541836761731967
Energy: 0.5845726231056164
Energy: 0.541836761731967
Energy: 0.5845726231056164
Energy: 0.541836761731967
Energy: 0.5845726231056164
Energy: 0.5763112560948328
Energy: 0.5869042233981003
Energy: 0.5763112560943476
Energy: 0.5869042233981003
Energy: 0.5763112560943476
Energy: 0.5869042233981003
Energy: 0.5920960234936712
Energy: 0.5481712660989578
Energy: 0.592096023493186
Energy: 0.5481712660989578
Energy: 0.592096023493186
Energy: 0.5481712660989578
Energy: 0.5450738375197888
Energy: 0.5953605154285618
Energy: 0.5450738375193037
Energy: 0.5953605154285618
Energy: 0.5450738375202739
Energy: 0.5953605154290469
Energy: 0.5559337598766508
Energy: 0.5979234221313108
Energy: 0.5559337598756806
Energy: 0.597923422132281
Energy: 0.5559337598756806
Energy: 0.5979234221332511
Energy: 0.6041069931224695
Energy: 0.5346434366065141
Energy: 0.6041069931229545
Energy: 0.5346434366065141
Energy: 0.6041069931224695
Energy: 0.5346434366065141
Energy: 0.5737889737574825
Energy: 0.5766027499701698
Energy: 0.5737889737574825
Energy: 0.5766027499701698
Energy: 0.5737889737569974
Energy: 0.5766027499701698
Energy: 0.5360678228882221
Energy: 0.6182875425263984
Energy: 0.5360678228877371
Energy: 0.6182875425268834
Energy: 0.5360678228882221
Energy: 0.6182875425268834
Energy: 0.6202383626974288
Energy: 0.5428503135461747
Energy: 0.6202383626954885
Energy: 0.5428503135432643
Energy: 0.6202383627022796
Energy: 0.5428503135442345
Energy: 0.5779804473642847
Energy: 0.5639356412366843
Energy: 0.5779804473642847
Energy: 0.5639356412366843
Energy: 0.5779804473647696
Energy: 0.5639356412361992
Energy: 0.5468614582899417
Energy: 0.5856260425009362
Energy: 0.5468614582884866
Energy: 0.5856260425009362
Energy: 0.5468614582889716
Energy: 0.5856260425014213
Energy: 0.603864115766638
Energy: 0.5450540699494952
Energy: 0.6038641157661531
Energy: 0.5450540736339531
Energy: 0.6038641157661531
Energy: 0.5450540692144249
Energy: 0.5734095218237616
Energy: 0.5352101367547001
Energy: 0.5734095218266719
Energy: 0.5352101367547001
Energy: 0.573409521826187
Energy: 0.5352101367547001
Energy: 0.5465650772349724
Energy: 0.5842486611854938
Energy: 0.5465650772349724
Energy: 0.5842486611854938
Energy: 0.5465650772344873
Energy: 0.5842486611850088
Energy: 0.5785014036637866
Energy: 0.5771727344089115
Energy: 0.5785014036647568
Energy: 0.5771727344093965
Energy: 0.5785014036633015
Energy: 0.5771727344089115
Energy: 0.5760903268900881
Energy: 0.5474335589819377
Energy: 0.5760903268905733
Energy: 0.5474335589829078
Energy: 0.5760903268905733
Energy: 0.5474335589814526
Energy: 0.5543462330933774
Energy: 0.5833017405448576
Energy: 0.5543462330928923
Energy: 0.5833017405448576
Energy: 0.5543462330938624
Energy: 0.5833017405448576
Energy: 0.5476580251500871
Energy: 0.5967165560059671
Energy: 0.5476580251500871
Energy: 0.5967165560059671
Energy: 0.5476580251510572
Energy: 0.5967165560064522
Energy: 0.6050724571658346
Energy: 0.5413989853792215
Energy: 0.6050724571653495
Energy: 0.5413989853787364
Energy: 0.6050724571643793
Energy: 0.5413989853787364
Energy: 0.5909434102713641
Energy: 0.5731591451138257
Energy: 0.590943410270879
Energy: 0.5731591451143107
Energy: 0.5909434102713641
Energy: 0.5731591451143107
Energy: 0.5619435096180889
Energy: 0.5805963181336476
Energy: 0.5619435096171188
Energy: 0.5805963181331627
Energy: 0.5619435096180889
Energy: 0.5805963181331627
Energy: 0.5766195025734953
Energy: 0.5414254672195445
Energy: 0.5766195025734953
Energy: 0.5414254672205147
Energy: 0.5766195025734953
Energy: 0.5414254672214848
Energy: 0.579154709973398
Energy: 0.5561503487153671
Energy: 0.5791547099738831
Energy: 0.5561503487163371
Energy: 0.579154709973398
Energy: 0.5561503487163371
Energy: 0.5329343558826144
Energy: 0.5842815576044484
Energy: 0.5329343558826144
Energy: 0.5842815576044484
Energy: 0.5329343558835844
Energy: 0.5842815576044484
Energy: 0.5802547370519208
Energy: 0.5580863492495912
Energy: 0.5802547370514356
Energy: 0.5580863492389195
Energy: 0.5802547370514356
Energy: 0.5580863492394046
Energy: 0.5777896857024254
Energy: 0.5476069198851935
Energy: 0.577789685705336
Energy: 0.5476069198861637
Energy: 0.5777896857029104
Energy: 0.5476069198861637

minimum gb energy = 0.5329343558826144 eV
minimum distance =  2.58444949324029 Angstroms
sigma value = 101


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

Energy: 0.5276970722243196
Energy: 0.5845120053914717
Energy: 0.5276970722238933
Energy: 0.5845120053918981
Energy: 0.5276970722243196
Energy: 0.5845120053914717
Energy: 0.5597683514306587
Energy: 0.5368486945274598
Energy: 0.5597683532676624
Energy: 0.5409766209361888
Energy: 0.5597683616053499
Energy: 0.5321460390216671
Energy: 0.5821163167039605
Energy: 0.5149415050469556
Energy: 0.5821163167039605
Energy: 0.5149415050478083
Energy: 0.5821163167039605
Energy: 0.5149415050478083
Energy: 0.5000619321348223
Energy: 0.5630397043769473
Energy: 0.5000619321343959
Energy: 0.5916938760231426
Energy: 0.5000619321348223
Energy: 0.5831105998916117
Energy: 0.5386456927506774
Energy: 0.548046843547429
Energy: 0.5386456927515301
Energy: 0.5480468435465763
Energy: 0.5386456927502509
Energy: 0.548046843547429
Energy: 0.5852829771014852
Energy: 0.5097322770712869
Energy: 0.5852829771010588
Energy: 0.5097322770712869
Energy: 0.5852829771014852
Energy: 0.5097322770717134
Energy: 0.5334671915318493
Energy: 0.5536533901874463
Energy: 0.5334671915301437
Energy: 0.5536533901870199
Energy: 0.5334671915292908
Energy: 0.5536533901870199
Energy: 0.5000646303723666
Energy: 0.5639397807310469
Energy: 0.5000646303723666
Energy: 0.5670405118775266
Energy: 0.5000646303727929
Energy: 0.5679030734414086
Energy: 0.5841161394496961
Energy: 0.5103718193892407
Energy: 0.5841161394496961
Energy: 0.5103718193892407
Energy: 0.5841161394496961
Energy: 0.510371819389667
Energy: 0.5335953752682289
Energy: 0.5571034707269454
Energy: 0.5335953752673759
Energy: 0.5913790735895231
Energy: 0.5335953752669496
Energy: 0.5647348883241164
Energy: 0.4989084226042301
Energy: 0.6207157140624949
Energy: 0.4989084226042301
Energy: 0.6207157140620686
Energy: 0.4989084226050829
Energy: 0.6207157140624949
Energy: 0.5690347568250184
Energy: 0.5299735891427162
Energy: 0.5690347568262976
Energy: 0.536863408832346
Energy: 0.5690347568250184
Energy: 0.5239530870930186
Energy: 0.5714281582887916
Energy: 0.515048906089205
Energy: 0.5714281582883652
Energy: 0.5150489061173285
Energy: 0.5714281582887916
Energy: 0.5150489061970474
Energy: 0.5303972930801479
Energy: 0.576763731860287
Energy: 0.5303972930797215
Energy: 0.5767637318581549
Energy: 0.5303972930797215
Energy: 0.5767637318590078
Energy: 0.5612596210783082
Energy: 0.5482362127026719
Energy: 0.5612596210757498
Energy: 0.5482362127022454
Energy: 0.5612596210825723
Energy: 0.5482362127022454
Energy: 0.5832237769501771
Energy: 0.5162596699083003
Energy: 0.5832237769501771
Energy: 0.5162596699083003
Energy: 0.5832237769497507
Energy: 0.5162596699083003
Energy: 0.4994350076210802
Energy: 0.561486638084557
Energy: 0.4994350076210802
Energy: 0.5614866380841306
Energy: 0.4994350076215065
Energy: 0.5614866380841306
Energy: 0.49697146778977935
Energy: 0.579590575274608
Energy: 0.49697146779020585
Energy: 0.5795905752699175
Energy: 0.49697146778935297
Energy: 0.5795905752720495
Energy: 0.5850816604166291
Energy: 0.5104476342740787
Energy: 0.5850816604157763
Energy: 0.5104476342740787
Energy: 0.5850816604170554
Energy: 0.510447634273226
Energy: 0.5337504210862416
Energy: 0.5535669035476473
Energy: 0.5337504210862416
Energy: 0.5535669035480736
Energy: 0.5337504210862416
Energy: 0.5535669035472401
Energy: 0.5058994225206688
Energy: 0.6106865882150034
Energy: 0.5058994225193896
Energy: 0.6106865882154299
Energy: 0.5058994225206688
Energy: 0.6106865882150034
Energy: 0.5745738205808472
Energy: 0.5098315178638454
Energy: 0.5745738205804208
Energy: 0.5098315178651247
Energy: 0.5745738205804208
Energy: 0.5098315178651247
Energy: 0.5741908195846349
Energy: 0.5073609282900393
Energy: 0.5741908195854878
Energy: 0.507360928289613
Energy: 0.5741908195850614
Energy: 0.5073609282900393
Energy: 0.500032542099315
Energy: 0.5869570359693487
Energy: 0.500032542099315
Energy: 0.5869570359689222
Energy: 0.5000325420997415
Energy: 0.5869570359689222
Energy: 0.5693054877092375
Energy: 0.546069643284152
Energy: 0.5693054877096638
Energy: 0.5460696432832991
Energy: 0.5693054877083846
Energy: 0.5460696432832991
Energy: 0.5749137889440943
Energy: 0.516264575790121
Energy: 0.5749137889440943
Energy: 0.516264575790121
Energy: 0.5749137889440943
Energy: 0.516264575790121
Energy: 0.527887533265674
Energy: 0.564139107643668
Energy: 0.5278875332661003
Energy: 0.564139107643668
Energy: 0.527887533265674
Energy: 0.5641391076432417
Energy: 0.5297483303250915
Energy: 0.5755653622545159
Energy: 0.5297424139427295
Energy: 0.5755653622549423
Energy: 0.5297399468728741
Energy: 0.5755653622549423
Energy: 0.5868388022009625
Energy: 0.5147917418589423
Energy: 0.5868388022009625
Energy: 0.5147917418580894
Energy: 0.5868388022009625
Energy: 0.5147917418585158
Energy: 0.49760099633058313
Energy: 0.5626005923892277
Energy: 0.4976009875786017
Energy: 0.5626005923896541
Energy: 0.4976009902343665
Energy: 0.5626005923892277
Energy: 0.49934701473452714
Energy: 0.5698883789888789
Energy: 0.49934701473452714
Energy: 0.5698883789888789
Energy: 0.49934701473410076
Energy: 0.5698883789888789
Energy: 0.5745749661755998
Energy: 0.5098496999922407
Energy: 0.5745749661755998
Energy: 0.5098496999918142
Energy: 0.5745749661755998
Energy: 0.5098496999913879
Energy: 0.5709455813477102
Energy: 0.5073237215037165
Energy: 0.5709455813481366
Energy: 0.5073237215028635
Energy: 0.5709455813481366
Energy: 0.5073237215028635

minimum gb energy = 0.49697146778935297 eV
minimum distance =  2.59929719742563 Angstroms
sigma value = 33


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

Energy: 0.011735057914308003
Energy: 0.3926131772768113
Energy: 0.01173505791466229
Energy: 0.3926131772764767
Energy: 0.01173505791466229
Energy: 0.3926131772764767
Energy: 0.013072716909374752
Energy: 0.1751820240875618
Energy: 0.013072716909374752
Energy: 0.17518202408791608
Energy: 0.013072716909709358
Energy: 0.17518202408791608
Energy: 0.9499470766401383
Energy: 0.17555363911038277
Energy: 0.39309351616900606
Energy: 0.17555543058172274
Energy: 0.3931038288778279
Energy: 0.17555459638260446
Energy: 0.013072716909374752
Energy: 0.1751820240875618
Energy: 0.013072716909374752
Energy: 0.1751820240875618
Energy: 0.013072716909374752
Energy: 0.17518202408722722

minimum gb energy = 0.011735057914308003 eV
minimum distance =  2.83530824443928 Angstroms
sigma value = 1