Model name: model_name=EAM_Dynamo_MendelevSrolovitzAckland_2005_AlFe__MO_577453891941_005
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.03330184519291
cohesive_energy=3.369970499585708
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
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: 0.010470059734036544
Energy: 0.01105765092725181
Energy: 0.44651685822321335
Energy: 0.011057650927727683
Energy: 0.011057650927727683
Energy: 0.41096481222509773
Energy: 0.011057650927727683
Energy: 0.41096481222509773
Energy: 0.4465168582182866
Energy: 0.01105765092725181
Energy: 0.010470059734036544
Energy: 0.01105765092725181
Energy: 0.01105765092725181
Energy: 0.41096481222462194
Energy: 0.01105765092725181
Energy: 0.41096481222509773

minimum gb energy = 0.010470059734036544 eV
minimum distance =  2.80321799745537 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 0.5392573370140804
Energy: 0.5267056118216616
Energy: 0.4878149610381629
Energy: 0.5267056118210507
Energy: 0.530403292532777
Energy: 0.5394121187518492
Energy: 0.5379563495417278
Energy: 0.5394121187506271
Energy: 0.5157618372902525
Energy: 0.5212658431978634
Energy: 0.5314460971610366
Energy: 0.5212658431972524
Energy: 0.5170935579808393
Energy: 0.530317140546195
Energy: 0.5064139721773273
Energy: 0.530317140544362
Energy: 0.5160396371095549
Energy: 0.5308246908687406
Energy: 0.520054683987165
Energy: 0.5308246908705739
Energy: 0.5013719339221786
Energy: 0.5271299291346808
Energy: 0.4946819868216913
Energy: 0.5271299291365141
Energy: 0.5363774766642744
Energy: 0.5217819981339585
Energy: 0.5021410652271832
Energy: 0.5217819981364028
Energy: 0.46985607351714925
Energy: 0.5308292541704803
Energy: 0.49917931801388693
Energy: 0.5308292541704803
Energy: 0.5074097376331573
Energy: 0.6158058291745747
Energy: 0.5409217533910491
Energy: 0.6158058291739635
Energy: 0.49059452203684606
Energy: 0.5205957474010933
Energy: 0.47100524146402406
Energy: 0.5205957473998989
Energy: 0.5432234155724084
Energy: 0.5341842075978159
Energy: 0.5082838828863089
Energy: 0.5341842075965938
Energy: 0.49741471764843864
Energy: 0.5306936610218713
Energy: 0.4942515277117003
Energy: 0.5306936610230935
Energy: 0.5355746321653989
Energy: 0.5195653466294257
Energy: 0.5364615615133684
Energy: 0.5195653466306478
Energy: 0.520621299889185
Energy: 0.5251806972104597
Energy: 0.5025974508089227
Energy: 0.5251806972116818
Energy: 0.5303129142976928
Energy: 0.5272261228008776
Energy: 0.5464101874182169
Energy: 0.5272261227984333
Energy: 0.5284032400643397
Energy: 0.5272796035408664
Energy: 0.5354161588322426
Energy: 0.5272796035414775
Energy: 0.5313279416885226
Energy: 0.521357662852938
Energy: 0.49114027161971213
Energy: 0.5213576628517158
Energy: 0.5381174151446827
Energy: 0.5304275109918812
Energy: 0.5367595076731776
Energy: 0.5304275109900479
Energy: 0.4716912180318458
Energy: 0.5290397501507917
Energy: 0.49364901088569096
Energy: 0.5290397501507917
Energy: 0.5520825407575808
Energy: 0.5228374384237311
Energy: 0.5095994804546763
Energy: 0.5228374384249532
Energy: 0.49206105514960474
Energy: 0.5213305238753361
Energy: 0.475453981025555
Energy: 0.5213305238777803
Energy: 0.5065168325774009
Energy: 0.529577525747583
Energy: 0.5299933073954705
Energy: 0.529577525747583
Energy: 0.5218872903798588
Energy: 0.5305167134439596
Energy: 0.49131721309751847
Energy: 0.5305167134421265
Energy: 0.5180022181997402
Energy: 0.5214513161270081
Energy: 0.5014111755264774
Energy: 0.5214513161276192
Energy: 0.5021393220111346
Energy: 0.5253124256982453
Energy: 0.5371735785440469
Energy: 0.5253124256982453
Energy: 0.5162763921550091
Energy: 0.5308072308603594
Energy: 0.5117458632030976
Energy: 0.5308072308603594
Energy: 0.5318906666674568
Energy: 0.5464842032149116
Energy: 0.5067298371975407
Energy: 0.5464842032161339
Energy: 0.5072838294467691
Energy: 0.5194624794304523
Energy: 0.531543111335598
Energy: 0.5194624794280079
Energy: 0.530164267584411
Energy: 0.5412561734894413
Energy: 0.5362176107054711
Energy: 0.541256173486997
Energy: 0.5398083745141585
Energy: 0.5273736216663787
Energy: 0.4979247950004369
Energy: 0.5273736216669898
Energy: 0.5315722411493455
Energy: 0.5225450434989696
Energy: 0.5356536783396488
Energy: 0.522545043501414
Energy: 0.5161948089131698
Energy: 0.5231490740491169
Energy: 0.5208178397803436
Energy: 0.5231490740491169
Energy: 0.5162088811424983
Energy: 0.5363646257227833
Energy: 0.5068504341177923
Energy: 0.5363646257209501

minimum gb energy = 0.46985607351714925 eV
minimum distance =  2.56275129703511 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 0.5728227959959618
Energy: 0.5580877248059294
Energy: 0.5052350794718682
Energy: 0.5580877248087165
Energy: 0.5390745178309312
Energy: 0.5653331470484667
Energy: 0.5590403939601716
Energy: 0.5653331470435896
Energy: 0.5242542489647526
Energy: 0.5593066797778486
Energy: 0.5297300715263116
Energy: 0.5593066797806355
Energy: 0.5145053234940037
Energy: 0.5247009171930799
Energy: 0.5074683257990305
Energy: 0.524700917197957
Energy: 0.5144464013485491
Energy: 0.5473593080231747
Energy: 0.5394791122018047
Energy: 0.5473593080231747
Energy: 0.5115198621796672
Energy: 0.5474057841549491
Energy: 0.5390484629956881
Energy: 0.5474057841458915
Energy: 0.5440483612442066
Energy: 0.524023982580627
Energy: 0.5245483843358278
Energy: 0.5240239825820205
Energy: 0.48356388266525985
Energy: 0.5592388527412875
Energy: 0.4965406713948472
Energy: 0.5592388527496482
Energy: 0.5180348402828314
Energy: 0.5393733278649631
Energy: 0.56565995110073
Energy: 0.5393733278593893
Energy: 0.5128598975062052
Energy: 0.5594524856423453
Energy: 0.5057953918459193
Energy: 0.5594524856374681
Energy: 0.5441031291853229
Energy: 0.5456386091378899
Energy: 0.5484283153274793
Energy: 0.545638609145554
Energy: 0.4997213658690025
Energy: 0.5522085277508291
Energy: 0.5297120302821279
Energy: 0.5522085277494356
Energy: 0.5502122670297971
Energy: 0.5452332451928378
Energy: 0.5407773874637392
Energy: 0.5452332451984118
Energy: 0.549956957928023
Energy: 0.545102904769968
Energy: 0.5393455849775982
Energy: 0.5451029047678778
Energy: 0.49971501949591035
Energy: 0.5522233643735662
Energy: 0.5346609468132977
Energy: 0.5522233643721728
Energy: 0.5442163156933626
Energy: 0.5456918765119141
Energy: 0.5240053455726957
Energy: 0.5456918765007663
Energy: 0.5128621256293427
Energy: 0.559376152571668
Energy: 0.4989812353511553
Energy: 0.5593761525730614
Energy: 0.5181347100471091
Energy: 0.5393016088708644
Energy: 0.5656940934185816
Energy: 0.5393016088687743
Energy: 0.4835465431299583
Energy: 0.5592599786497111
Energy: 0.49927714662521133
Energy: 0.5592599786504079
Energy: 0.5440026370002425
Energy: 0.5240375806692387
Energy: 0.5106004777600801
Energy: 0.5240375806678452
Energy: 0.5114165186190615
Energy: 0.5474774955628688
Energy: 0.5142984036690815
Energy: 0.5474774955642623
Energy: 0.5145029147089318
Energy: 0.5472351827445047
Energy: 0.5545064541082569
Energy: 0.5472351827528655
Energy: 0.5142764967204991
Energy: 0.5246101753502754
Energy: 0.5248211525972287
Energy: 0.5246101753551525
Energy: 0.5243412041238494
Energy: 0.559288282875267
Energy: 0.5344902725281895
Energy: 0.5592882828717832
Energy: 0.5392038301252645
Energy: 0.5652549235215749
Energy: 0.5590311672068182
Energy: 0.5652549235278456
Energy: 0.5728227959959618
Energy: 0.5580877248052328
Energy: 0.5349745570434549
Energy: 0.5580877248087165
Energy: 0.5390745178302346
Energy: 0.5653331470484667
Energy: 0.5590403939601716
Energy: 0.5653331470435896
Energy: 0.5242542489661461
Energy: 0.5593066797778486
Energy: 0.5297300715263116
Energy: 0.5593066797799389
Energy: 0.5145053234960938
Energy: 0.5247009171930799
Energy: 0.5079145089853069
Energy: 0.524700917197957

minimum gb energy = 0.4835465431299583 eV
minimum distance =  2.59030747425807 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 0.5548030187822846
Energy: 0.5792929219938177
Energy: 0.5248191374079023
Energy: 0.5792929219946276
Energy: 0.5685880853634018
Energy: 0.571050065658026
Energy: 0.5373133360414848
Energy: 0.5710500656588359
Energy: 0.5448198127406053
Energy: 0.600070566384331
Energy: 0.5459135192189666
Energy: 0.6000705663827295
Energy: 0.538563636233726
Energy: 0.5456066934579891
Energy: 0.5202076932593183
Energy: 0.545606693458799
Energy: 0.5202095964416985
Energy: 0.5824609851778004
Energy: 0.5473249553111307
Energy: 0.5824609851778004
Energy: 0.5327709305054693
Energy: 0.6014224852609492
Energy: 0.6240883046597174
Energy: 0.6014224852609492
Energy: 0.5695173619230441
Energy: 0.5424435719343392
Energy: 0.5483805775445725
Energy: 0.5424435719343392
Energy: 0.5400752210763954
Energy: 0.5813930009441396
Energy: 0.4974941303560343
Energy: 0.5813930009441396
Energy: 0.5494815774379092
Energy: 0.565342862530141
Energy: 0.5688896364050349
Energy: 0.565342862530951
Energy: 0.5450285836316654
Energy: 0.6002350720086135
Energy: 0.516966625462547
Energy: 0.6002350720078037
Energy: 0.5651608270705563
Energy: 0.5796366358018554
Energy: 0.5680052727946946
Energy: 0.5796366358018554
Energy: 0.5474773861325993
Energy: 0.5794538599203369
Energy: 0.5701280932301844
Energy: 0.5794538599211468
Energy: 0.5460163151951481
Energy: 0.5730626990477848
Energy: 0.516743016600019
Energy: 0.5730626990469748
Energy: 0.5331501100329272
Energy: 0.5595025471376417
Energy: 0.567689955661402
Energy: 0.5595025471392616
Energy: 0.5170054520250973
Energy: 0.5823529640650128
Energy: 0.49625371727093814
Energy: 0.5823529640633929
Energy: 0.5674198954924566
Energy: 0.542773304336851
Energy: 0.5202442757877304
Energy: 0.5427733043360411
Energy: 0.49656399429217857
Energy: 0.6000913813048854
Energy: 0.4963088120317757
Energy: 0.6000913813056953
Energy: 0.5203710933959795
Energy: 0.5705989393037435
Energy: 0.5644333938677235
Energy: 0.5705989393037435
Energy: 0.518614294649219
Energy: 0.5801344106246769
Energy: 0.5206295561561514
Energy: 0.5801344106262967
Energy: 0.5759769630052783
Energy: 0.6014548985463908
Energy: 0.5374280933992078
Energy: 0.6014548985455808
Energy: 0.545390328011408
Energy: 0.5676701107035427
Energy: 0.5405213135598619
Energy: 0.5676701107019229
Energy: 0.5558323367877759
Energy: 0.5800739782981535
Energy: 0.5383495149850748
Energy: 0.5800739782981535
Energy: 0.5683062147126577
Energy: 0.5805533298332329
Energy: 0.5371758529538052
Energy: 0.580553329834043
Energy: 0.5451856496728518
Energy: 0.5992101066617781
Energy: 0.5450532525371834
Energy: 0.5992101066625881
Energy: 0.5729553225490709
Energy: 0.5458075556402769
Energy: 0.5196501267268736
Energy: 0.5458075556410869

minimum gb energy = 0.49625371727093814 eV
minimum distance =  2.5878594448301 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 0.5630099513848492
Energy: 0.5642912374929712
Energy: 0.5484108617075938
Energy: 0.564291237496836
Energy: 0.544481576160432
Energy: 0.5941543829359585
Energy: 0.5621557972161829
Energy: 0.5941543829330601
Energy: 0.5725222066740777
Energy: 0.570950483885324
Energy: 0.5373186189201498
Energy: 0.5709504838824253
Energy: 0.5802394382823446
Energy: 0.5451003453012732
Energy: 0.514968004004356
Energy: 0.5451003453003069
Energy: 0.5565077074059523
Energy: 0.5941839871115854
Energy: 0.5656281482881609
Energy: 0.5941839871125516
Energy: 0.5106325601592373
Energy: 0.5596338755590777
Energy: 0.5780172523357012
Energy: 0.5596338755610103
Energy: 0.5778771727138692
Energy: 0.5149545524389865
Energy: 0.5147473477690074
Energy: 0.514954552441885
Energy: 0.5481257787947698
Energy: 0.5608405036994174
Energy: 0.5116425027660623
Energy: 0.5608405037003836
Energy: 0.5650810148751031
Energy: 0.5874671246020737
Energy: 0.5947638542783451
Energy: 0.5874671246020737
Energy: 0.5637329549873131
Energy: 0.5751807580542811
Energy: 0.5170044791231521
Energy: 0.5751807580542811
Energy: 0.5301806604465098
Energy: 0.5961319960735549
Energy: 0.5340584499762233
Energy: 0.5961319960735549
Energy: 0.5796704997083858
Energy: 0.5840643609336255
Energy: 0.5149997234996233
Energy: 0.5840643609355579
Energy: 0.510149034402131
Energy: 0.5687493653455695
Energy: 0.5339310634847902
Energy: 0.5687493653446033
Energy: 0.5411254884213753
Energy: 0.5621222080549583
Energy: 0.5712931862967577
Energy: 0.5621222080511155
Energy: 0.5101512131157878
Energy: 0.568915681113089
Energy: 0.5431718827120485
Energy: 0.5689156811121229
Energy: 0.5798177749454573
Energy: 0.5840652393834288
Energy: 0.5150373210000836
Energy: 0.5840652393814965
Energy: 0.5302015896200282
Energy: 0.5961633650343019
Energy: 0.5611534750930625
Energy: 0.5961633650352682
Energy: 0.5637418021744337
Energy: 0.5762430762232794
Energy: 0.517394919771736
Energy: 0.5762430762281106
Energy: 0.5650822552458041
Energy: 0.5875805472010062
Energy: 0.5610957917603112
Energy: 0.5875805472048711
Energy: 0.5480967036054782
Energy: 0.5613789239598492
Energy: 0.5116476605742872
Energy: 0.5613789239608155
Energy: 0.5785964605130035
Energy: 0.5149705496338679
Energy: 0.5147700851360368
Energy: 0.5149705496358004

minimum gb energy = 0.510149034402131 eV
minimum distance =  2.65208015690894 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 0.5453374006168119
Energy: 0.6580953420368655
Energy: 0.6085304116542043
Energy: 0.6580953420368655
Energy: 0.5371125622235497
Energy: 0.5988266782822942
Energy: 0.521244465079963
Energy: 0.5988266782810995
Energy: 0.521672343394281
Energy: 0.6140984782443049
Energy: 0.5233813715529272
Energy: 0.6140984782443049
Energy: 0.5466166616267656
Energy: 0.606740916296201
Energy: 0.569911995456211
Energy: 0.6067409162950061
Energy: 0.5685672346499647
Energy: 0.5377373655060173
Energy: 0.5538437534081414
Energy: 0.5377373655048225
Energy: 0.5216993838895573
Energy: 0.6420705579172947
Energy: 0.5347257238719929
Energy: 0.6420705579184897
Energy: 0.5476010657750718
Energy: 0.6005206099655962
Energy: 0.5349842153639677
Energy: 0.6005206099644014
Energy: 0.5488084274039591
Energy: 0.6407805974317964
Energy: 0.547212949829117
Energy: 0.6407805974317964
Energy: 0.5233173266620018
Energy: 0.6101762767482413
Energy: 0.5379803723039753
Energy: 0.6101762767482413
Energy: 0.5729009027023941
Energy: 0.6226226089898721
Energy: 0.5226712389991478
Energy: 0.6226226089886772
Energy: 0.542464207089757
Energy: 0.6015939789811069
Energy: 0.5979924905523981
Energy: 0.6015939789811069
Energy: 0.5212980098767694
Energy: 0.552389710183938
Energy: 0.5753930539744767
Energy: 0.5523897101827431
Energy: 0.5578489763277686
Energy: 0.6234848421106438
Energy: 0.5342956279134636
Energy: 0.6234848421094489
Energy: 0.5349073791262277
Energy: 0.6000120153474452
Energy: 0.5470159677502058
Energy: 0.6000120153486401
Energy: 0.5504329008732717
Energy: 0.6295458343103754
Energy: 0.5490956087098094
Energy: 0.6295458343127652
Energy: 0.5280702972428716
Energy: 0.5873515414389507
Energy: 0.5217037184957922
Energy: 0.5873515414389507
Energy: 0.5214342168604374
Energy: 0.561515419516831
Energy: 0.5725600118341655
Energy: 0.5615154195156361

minimum gb energy = 0.521244465079963 eV
minimum distance =  2.64422746620009 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 0.5947767497382725
Energy: 0.5987532430300985
Energy: 0.6711493047820654
Energy: 0.5987532430294217
Energy: 0.6033199724623396
Energy: 0.5734047569172698
Energy: 0.541840172205294
Energy: 0.5734047569172698
Energy: 0.5738402270070334
Energy: 0.6464076033895382
Energy: 0.5411237711320587
Energy: 0.6464076033888614
Energy: 0.5425294787695334
Energy: 0.6268854416150594
Energy: 0.5670207493963519
Energy: 0.6268854416150594
Energy: 0.5922681732005272
Energy: 0.6227289104449419
Energy: 0.5565309918761707
Energy: 0.6227289104462954
Energy: 0.5466136490487091
Energy: 0.6007468162931021
Energy: 0.5835470865589643
Energy: 0.6007468162964857
Energy: 0.5433583173287694
Energy: 0.599656824539544
Energy: 0.5440550837701984
Energy: 0.5996568245402207
Energy: 0.5793017130521803
Energy: 0.6688643283053745
Energy: 0.5502863379657171
Energy: 0.6688643283053745
Energy: 0.54789124635351
Energy: 0.6486692380458416
Energy: 0.5876238494625392
Energy: 0.6486692380458416
Energy: 0.6142527215454702
Energy: 0.5862819166652743
Energy: 0.5419103259326857
Energy: 0.5862819166679812
Energy: 0.5433654212368185
Energy: 0.6176333375542409
Energy: 0.5750882750375299
Energy: 0.6176333375542409
Energy: 0.5476551607966501
Energy: 0.5998958117455481
Energy: 0.5482204781799204
Energy: 0.5998958117462249
Energy: 0.6023537512341522
Energy: 0.5966065154096638
Energy: 0.6018886531052887
Energy: 0.596606515411694
Energy: 0.5412445312007522
Energy: 0.6549664964205454
Energy: 0.5858903630172586
Energy: 0.6549664964198685
Energy: 0.5713351562914353
Energy: 0.5958871569875661
Energy: 0.54834580186576
Energy: 0.5958871569875661
Energy: 0.5879169602212493
Energy: 0.6623959396799612
Energy: 0.5794190797792061
Energy: 0.6623959396779311
Energy: 0.5743281086059548
Energy: 0.626703405163918
Energy: 0.6451156270535578
Energy: 0.6267034051632413
Energy: 0.5914966672720492
Energy: 0.5959523884628817
Energy: 0.5467896347932866
Energy: 0.5959523884649119
Energy: 0.5749583795429858
Energy: 0.5989088926818606
Energy: 0.5847805788460078
Energy: 0.5989088926805071
Energy: 0.5732647636237712
Energy: 0.6265570034591514
Energy: 0.5424227097438769
Energy: 0.6265570034564446
Energy: 0.5595705817728285
Energy: 0.6457016435401184
Energy: 0.5737795629044945
Energy: 0.6457016435407951
Energy: 0.5431878708751501
Energy: 0.6428370662927786
Energy: 0.6070615837408121
Energy: 0.6428370662921018
Energy: 0.5942725044315826
Energy: 0.6556391087405816
Energy: 0.5411257285356694
Energy: 0.6556391087399049
Energy: 0.5786404812991451
Energy: 0.596192020814569
Energy: 0.5830846103807535
Energy: 0.5961920208118928
Energy: 0.5927255939140051
Energy: 0.6461186753849577
Energy: 0.5741933424957872
Energy: 0.6461186753842809
Energy: 0.591382212621331
Energy: 0.6488886184522725
Energy: 0.5416699318973226
Energy: 0.6488886184515958
Energy: 0.5561332630149607
Energy: 0.6411837248999801
Energy: 0.621617523944862
Energy: 0.6411837249020104
Energy: 0.5788971429313485
Energy: 0.5750161004573705
Energy: 0.5741653749691682
Energy: 0.5750161004560171
Energy: 0.6298805306548382
Energy: 0.6251693399129654
Energy: 0.5435798877065426
Energy: 0.6251693399136422
Energy: 0.5467422163866543
Energy: 0.6207624093033245
Energy: 0.5917587683092731
Energy: 0.6207624093040012

minimum gb energy = 0.5411237711320587 eV
minimum distance =  2.53909270805794 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 0.5003071752686158
Energy: 0.5008436740171678
Energy: 0.5988234403398349
Energy: 0.5008436740171678
Energy: 0.5796394168258145
Energy: 0.5620749034226101
Energy: 0.599042622799706
Energy: 0.562074903425726
Energy: 0.5121627704551428
Energy: 0.500398252119987
Energy: 0.5750283777998697
Energy: 0.5003982521215449
Energy: 0.5120795745201459
Energy: 0.5003873369863711
Energy: 0.5323235479522628
Energy: 0.5003873369848131
Energy: 0.579666209633268
Energy: 0.5620658203190498
Energy: 0.6225080039670922
Energy: 0.5620658203190498
Energy: 0.5003071752686158
Energy: 0.5008436740171678
Energy: 0.6612615265266821
Energy: 0.5008436740171678
Energy: 0.5796394168273725
Energy: 0.5620749034226101
Energy: 0.5730802675900023
Energy: 0.562074903425726
Energy: 0.5121627704598167
Energy: 0.500398252119987
Energy: 0.5750283778014279
Energy: 0.500398252119987
Energy: 0.5120795745201459
Energy: 0.5003873369848131
Energy: 0.5855678967838512
Energy: 0.5003873369879289
Energy: 0.579666209633268
Energy: 0.5620658203206078
Energy: 0.5728306739079392
Energy: 0.562065820317492
Energy: 0.5003071752686158
Energy: 0.5008436740171678
Energy: 0.6787484206713243
Energy: 0.5008436740171678
Energy: 0.5796394168258145
Energy: 0.5620749034226101
Energy: 0.5730802675884444
Energy: 0.562074903425726
Energy: 0.5121627704598167
Energy: 0.500398252119987
Energy: 0.5750283778014279
Energy: 0.5003982521215449

minimum gb energy = 0.5003071752686158 eV
minimum distance =  2.62742271797244 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 0.5695777239186003
Energy: 0.7018716465863181
Energy: 0.7284005741660684
Energy: 0.7018716465868947
Energy: 0.6853281994017043
Energy: 0.6082900342575595
Energy: 0.5920739930278432
Energy: 0.6082900342587128
Energy: 0.5728459248742904
Energy: 0.6090691552096864
Energy: 0.5908752597810032
Energy: 0.6090691552096864
Energy: 0.6242791186168347
Energy: 0.6700655158174579
Energy: 0.5914885513532162
Energy: 0.6700655158180345
Energy: 0.6574630051269708
Energy: 0.605853418213202
Energy: 0.5887212174396528
Energy: 0.6058534182120489
Energy: 0.5626124854354505
Energy: 0.563584663624229
Energy: 0.632987188498722
Energy: 0.5635846636253823
Energy: 0.6918419578565992
Energy: 0.635402342408531
Energy: 0.5766348197720419
Energy: 0.6354023424131441
Energy: 0.5793088227554479
Energy: 0.662176749686926
Energy: 0.6316373681390766
Energy: 0.6621767496840428
Energy: 0.5743668881971832
Energy: 0.6147718098299682
Energy: 0.5781794690437212
Energy: 0.6147718098305447
Energy: 0.5746695974748766
Energy: 0.6030604540359639
Energy: 0.5874098454417422
Energy: 0.6030604540353873
Energy: 0.5756190556558937
Energy: 0.6720151992212448
Energy: 0.7020972752423061
Energy: 0.6720151992229745
Energy: 0.6374971729792371
Energy: 0.7005193826068129
Energy: 0.5764666539367268
Energy: 0.7005193826062364
Energy: 0.5750495917177488
Energy: 0.6908944693875813
Energy: 0.6582717446217337
Energy: 0.690894469386428
Energy: 0.6246091096594836
Energy: 0.682991657774932
Energy: 0.5818245130944125
Energy: 0.682991657774932
Energy: 0.577772920421486
Energy: 0.644002684866932
Energy: 0.6400925617423396
Energy: 0.644002684866932
Energy: 0.5763865189368945
Energy: 0.6740905581622897
Energy: 0.63096442267266
Energy: 0.6740905581582534
Energy: 0.6087487352443133
Energy: 0.6445875866047005
Energy: 0.5790280762659676
Energy: 0.6445875866035473
Energy: 0.5880934348364444
Energy: 0.5895335196529735
Energy: 0.701147562754349
Energy: 0.5895335196518202
Energy: 0.6640705831857608
Energy: 0.6430157426212819
Energy: 0.5638449507291993
Energy: 0.6430157426207053
Energy: 0.5756445565719068
Energy: 0.601118667209547
Energy: 0.6162822556714604
Energy: 0.601118667209547
Energy: 0.6293837370953095
Energy: 0.6690284348759518
Energy: 0.6253653693861856
Energy: 0.669028434877105
Energy: 0.6136981337510744
Energy: 0.6274925581231828
Energy: 0.5747513537280188
Energy: 0.6274925581237595
Energy: 0.5772370926163701
Energy: 0.6598677057898243
Energy: 0.5748887499772927
Energy: 0.6598677057898243
Energy: 0.7181181237977224
Energy: 0.6902873162377284
Energy: 0.5743131181988118
Energy: 0.6902873162336921
Energy: 0.5762921107790867
Energy: 0.7275360442863622
Energy: 0.6751536551405033
Energy: 0.7275360442869387
Energy: 0.6162394444751023
Energy: 0.6096967070672058
Energy: 0.57327989494263
Energy: 0.6096967070660525
Energy: 0.6259203121313072
Energy: 0.6380826476785062
Energy: 0.6234350311192282
Energy: 0.6380826476790828
Energy: 0.5916792877063564
Energy: 0.6814655744882137
Energy: 0.6234814914506384
Energy: 0.6814655744864838
Energy: 0.6156619002493571
Energy: 0.6092315620930367
Energy: 0.5723546410645547
Energy: 0.6092315620947666
Energy: 0.57619224244889
Energy: 0.7280470782615476
Energy: 0.6772846771428526
Energy: 0.7280470782615476
Energy: 0.6855745197282066
Energy: 0.6133255592438577
Energy: 0.5737930711701673
Energy: 0.6133255592427044
Energy: 0.5856878304659218
Energy: 0.6023422637502004
Energy: 0.5734296484488579
Energy: 0.6023422637530835
Energy: 0.5851048295974224
Energy: 0.6279331384588258
Energy: 0.5733069931937468
Energy: 0.6279331384588258
Energy: 0.6317085414743528
Energy: 0.6687584932693301
Energy: 0.6240155048512321
Energy: 0.6687584932681768
Energy: 0.5751314663288166
Energy: 0.6713030215431962
Energy: 0.691642609106698
Energy: 0.6713030215426197

minimum gb energy = 0.5626124854354505 eV
minimum distance =  2.57735946769238 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 0.6117268866873171
Energy: 0.6047635242354648
Energy: 0.7276641366329315
Energy: 0.6047635242336559
Energy: 0.6328695624808992
Energy: 0.6530743408572848
Energy: 0.5861049729594019
Energy: 0.6530743408572848
Energy: 0.587124048955236
Energy: 0.6207886622342704
Energy: 0.5903119966062697
Energy: 0.6207886622370151
Energy: 0.5861378069491407
Energy: 0.6562643191191453
Energy: 0.600042698611789
Energy: 0.6562643191173364
Energy: 0.6113894663542083
Energy: 0.6225024942364831
Energy: 0.5951449823581197
Energy: 0.6225024942383128
Energy: 0.5887725238409608
Energy: 0.5836493374260285
Energy: 0.6906237425192446
Energy: 0.5836493374278583
Energy: 0.6983195114220385
Energy: 0.6502636161328325
Energy: 0.5919335532710504
Energy: 0.6502636161300879
Energy: 0.5822255629297004
Energy: 0.665756986157469
Energy: 0.6742417080390872
Energy: 0.6657569861602136
Energy: 0.7042051853813934
Energy: 0.5812092365409806
Energy: 0.5807251587299388
Energy: 0.5812092365409806
Energy: 0.5881016187507051
Energy: 0.6236046213602155
Energy: 0.5840844731437456
Energy: 0.6236046213620453
Energy: 0.5810814490685876
Energy: 0.6049141073980183
Energy: 0.6660107015132685
Energy: 0.6049141074007628
Energy: 0.6447021082618294
Energy: 0.6477271544052471
Energy: 0.58683062420925
Energy: 0.6477271544079916
Energy: 0.5883684781715783
Energy: 0.6116772342237146
Energy: 0.6453420976212841
Energy: 0.6116772342246295
Energy: 0.6975670977590805
Energy: 0.6373179620548928
Energy: 0.595891780527371
Energy: 0.6373179620548928
Energy: 0.5730069446146584
Energy: 0.6645995948977893
Energy: 0.6781027331993388
Energy: 0.6645995948977893
Energy: 0.6707237315516517
Energy: 0.6382721303566198
Energy: 0.5829690943848265
Energy: 0.6382721303575346
Energy: 0.6139044203128664
Energy: 0.6110423812096226
Energy: 0.5872467955899755
Energy: 0.6110423812114524
Energy: 0.6208979961289194
Energy: 0.6194319151069284
Energy: 0.5865392369868415
Energy: 0.6194319151069284
Energy: 0.5916382433166424
Energy: 0.6053981347715628
Energy: 0.5816836847829157
Energy: 0.6053981347752222
Energy: 0.5870919087841838
Energy: 0.6242614769079564
Energy: 0.6969294073329788
Energy: 0.6242614769088712
Energy: 0.6952883211306893
Energy: 0.5870050575418806
Energy: 0.5941679158013283
Energy: 0.5870050575418806
Energy: 0.600074491483155
Energy: 0.6183396198500006
Energy: 0.6316347271631189
Energy: 0.6183396198490858

minimum gb energy = 0.5730069446146584 eV
minimum distance =  2.56768069925417 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 0.5907804317878088
Energy: 0.5920934935720286
Energy: 0.7491511675532418
Energy: 0.5920934935784681
Energy: 0.7161939115219389
Energy: 0.6808615757869239
Energy: 0.5965322564997224
Energy: 0.680861575779161
Energy: 0.5947520935188408
Energy: 0.6665439001095363
Energy: 0.6260053251603995
Energy: 0.6665439001140646
Energy: 0.618332789970078
Energy: 0.6358966339196305
Energy: 0.5983889786244523
Energy: 0.6358966339189834
Energy: 0.595311213087377
Energy: 0.617806077058721
Energy: 0.606713670692413
Energy: 0.6178060770567803
Energy: 0.5886451160548903
Energy: 0.6397107984086018
Energy: 0.7027259401364913
Energy: 0.6397107983988982
Energy: 0.6602785855907906
Energy: 0.7708414718454704
Energy: 0.6096912542045198
Energy: 0.7708414718402952
Energy: 0.5885500816503777
Energy: 0.6436349488007239
Energy: 0.7174645040706111
Energy: 0.6436349487961955
Energy: 0.649718190901234
Energy: 0.618562431197469
Energy: 0.5940277980325708
Energy: 0.6185624312013502
Energy: 0.5927574683934195
Energy: 0.6312055736445106
Energy: 0.6527404732647579
Energy: 0.6312055736367479
Energy: 0.6205223070934299
Energy: 0.6688492330090782
Energy: 0.6160128228417397
Energy: 0.6688492330045499
Energy: 0.6117624271021285
Energy: 0.6172748768961084
Energy: 0.6188024167471342
Energy: 0.6172748769038712
Energy: 0.6055303598226105
Energy: 0.603829222391286
Energy: 0.6248887932081887
Energy: 0.6038292223899921
Energy: 0.612341717079808
Energy: 0.6392641043370284
Energy: 0.6212662190712751
Energy: 0.6392641043305594
Energy: 0.5894793783832454
Energy: 0.675159034406899
Energy: 0.6666925267850029
Energy: 0.6751590344094867
Energy: 0.7495005336772789
Energy: 0.5894731110247092
Energy: 0.589524306301664
Energy: 0.5894731110214746
Energy: 0.5948384139360892
Energy: 0.6183296381088844
Energy: 0.6452107883435775
Energy: 0.6183296381134127
Energy: 0.5972329956537743
Energy: 0.6577494324599852
Energy: 0.6198701766117293
Energy: 0.6577494324496641
Energy: 0.594239067404343
Energy: 0.6497291473857225
Energy: 0.6151349524106191
Energy: 0.6497291473870163
Energy: 0.5921809042355796
Energy: 0.6198611149826465
Energy: 0.6194358888179446
Energy: 0.6198611149761776
Energy: 0.6257331990245464
Energy: 0.6698134254585011
Energy: 0.5941113002876698
Energy: 0.6698134254636762
Energy: 0.5930275758357934
Energy: 0.6673592508747965
Energy: 0.653812836595967
Energy: 0.6673592508773842
Energy: 0.7014522773030982
Energy: 0.719397095890641
Energy: 0.603036089677675
Energy: 0.7193970958867596
Energy: 0.6011538215251452
Energy: 0.592223852772627
Energy: 0.7045343741366247
Energy: 0.5922238527765084
Energy: 0.613339586438023
Energy: 0.6195165281274917
Energy: 0.5956710315774648
Energy: 0.619516528126198
Energy: 0.6183095501314483
Energy: 0.6661675675118294
Energy: 0.6151912595166288
Energy: 0.6661675675124763
Energy: 0.5964677028020342
Energy: 0.6301089207242203
Energy: 0.5933921502881659
Energy: 0.6301089207177514
Energy: 0.6183425855142468
Energy: 0.6184860914347
Energy: 0.5983917972372573
Energy: 0.6184860914314656
Energy: 0.586366373759381
Energy: 0.6397991970695127
Energy: 0.6513416748588363
Energy: 0.6397991970559572
Energy: 0.6625227536352186
Energy: 0.6044648580245323
Energy: 0.5968573605305859
Energy: 0.604464858020004
Energy: 0.5863670311613578
Energy: 0.6395108858806491
Energy: 0.6868168083894212
Energy: 0.6395108858793552

minimum gb energy = 0.586366373759381 eV
minimum distance =  2.5571283188423 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 0.5815452243994067
Energy: 0.5815116204368355
Energy: 0.6279300136734409
Energy: 0.5815116204370608
Energy: 0.6031312306561722
Energy: 0.5840467623864923
Energy: 0.5816101721075031
Energy: 0.5840467623869431
Energy: 0.5786891699422911
Energy: 0.5942136932087179
Energy: 0.628042547655575
Energy: 0.5942136932093688
Energy: 0.5837901125042659
Energy: 0.6088386569648248
Energy: 0.5820097158398942
Energy: 0.6088386569648248
Energy: 0.5817856789185711
Energy: 0.5814344830418924
Energy: 0.6471771494696682
Energy: 0.5814344830427688
Energy: 0.6124386643586104
Energy: 0.5898716619676158
Energy: 0.6124745006393968
Energy: 0.5898716619673905
Energy: 0.5788811450620879
Energy: 0.5813835157059842
Energy: 0.5817939195786034
Energy: 0.5813835157053333
Energy: 0.5818477024227668
Energy: 0.6089964930017777
Energy: 0.5816163286954393
Energy: 0.6089964930028793
Energy: 0.6280199305759616
Energy: 0.5942147957774929
Energy: 0.6520174255311114
Energy: 0.5942147957777183

minimum gb energy = 0.5786891699422911 eV
minimum distance =  2.63717047069801 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 0.5568383341384254
Energy: 0.5754082156605258
Energy: 0.6598740417812262
Energy: 0.5754082156611369
Energy: 0.6385367180420752
Energy: 0.6692622759281993
Energy: 0.5612024736191126
Energy: 0.6692622759275881
Energy: 0.5467886753294783
Energy: 0.5738783659709159
Energy: 0.6571509218434838
Energy: 0.5738783659715271
Energy: 0.5586750826980175
Energy: 0.588141630736757
Energy: 0.5510264858443051
Energy: 0.588141630736146
Energy: 0.5572481386082464
Energy: 0.5918942200997135
Energy: 0.6623637855388963
Energy: 0.5918942200991023
Energy: 0.5968460157300457
Energy: 0.6342139101957912
Energy: 0.5476684005328317
Energy: 0.634213910193958
Energy: 0.5457533911956395
Energy: 0.5901923319579868
Energy: 0.5542057277333299
Energy: 0.5901923319592088
Energy: 0.5547227980627931
Energy: 0.6345033889472304
Energy: 0.5490490891583332
Energy: 0.6345033889460082
Energy: 0.5475433993431397
Energy: 0.5909454231906833
Energy: 0.5508484930965166
Energy: 0.5909454231912943
Energy: 0.5476070725758052
Energy: 0.5906545101455521
Energy: 0.5590482228531429
Energy: 0.5906545101461632
Energy: 0.5832969784038796
Energy: 0.6342957745072573
Energy: 0.5503243649935236
Energy: 0.6342957745078683
Energy: 0.5650058214808725
Energy: 0.6031842007923913
Energy: 0.5856104035895637
Energy: 0.6031842007917801
Energy: 0.5970839227870768
Energy: 0.5760513474297196
Energy: 0.5701205045896693
Energy: 0.5760513474291087
Energy: 0.5567074891411423
Energy: 0.6359429162875386
Energy: 0.6401076683853995
Energy: 0.6359429162881497
Energy: 0.5912988311715583
Energy: 0.7217605348158143
Energy: 0.5489325239053996
Energy: 0.7217605348152031
Energy: 0.5483438798945531
Energy: 0.5732832296212214
Energy: 0.5976499051022035
Energy: 0.5732832296230546
Energy: 0.6276746143088051
Energy: 0.659453083382892
Energy: 0.55666629402229
Energy: 0.6594530833816699
Energy: 0.5491527776595159
Energy: 0.6341129804454867
Energy: 0.6320308617576955
Energy: 0.6341129804479311
Energy: 0.5543575423011943
Energy: 0.5908099446897295
Energy: 0.5510957034716765
Energy: 0.5908099446921738
Energy: 0.5463288075791549
Energy: 0.6542774485585998
Energy: 0.5599985541086371
Energy: 0.654277448551267
Energy: 0.5599508886888503
Energy: 0.6670500777382975
Energy: 0.5523080857451138
Energy: 0.6670500777389086
Energy: 0.5652936050633146
Energy: 0.5908041079158587
Energy: 0.5474052219446752
Energy: 0.5908041079140254
Energy: 0.5504395891666395
Energy: 0.5760641255673409
Energy: 0.5543110606512195
Energy: 0.5760641255667297
Energy: 0.5755089743680877
Energy: 0.5711667295674768
Energy: 0.5570239330038753
Energy: 0.5711667295674768
Energy: 0.5816323558310944
Energy: 0.5657743725114923
Energy: 0.5530225683480777
Energy: 0.5657743725151588
Energy: 0.5681580062937152
Energy: 0.5757016315216777
Energy: 0.5587016761279711
Energy: 0.5757016315222889
Energy: 0.5496401038255464
Energy: 0.5856542278117783
Energy: 0.5658910147756175
Energy: 0.5856542278123895
Energy: 0.6181568846442334
Energy: 0.6735168024846492
Energy: 0.5484787441337059
Energy: 0.6735168024846492
Energy: 0.5539251560892372
Energy: 0.6698297988849399
Energy: 0.6456196535081
Energy: 0.6698297988794403
Energy: 0.6513928515019152
Energy: 0.6343881173725271
Energy: 0.5495260090952622
Energy: 0.634388117371916
Energy: 0.5481480718597702
Energy: 0.5594366854903245
Energy: 0.6486408003118048
Energy: 0.5594366854897134
Energy: 0.6552024383089413
Energy: 0.5916881526112536
Energy: 0.5540953679281634
Energy: 0.5916881526100316
Energy: 0.5496686553594097
Energy: 0.6720296027091944
Energy: 0.5623998504364832
Energy: 0.6720296027091944

minimum gb energy = 0.5457533911956395 eV
minimum distance =  2.51816652643824 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 0.610136891758231
Energy: 0.6230262489568138
Energy: 0.6024128679189423
Energy: 0.6230262489534342
Energy: 0.5692985447968554
Energy: 0.6238621878473568
Energy: 0.524579998610753
Energy: 0.6238621878541161
Energy: 0.5239728184882396
Energy: 0.5468589679371186
Energy: 0.6301160314541678
Energy: 0.5468589679396533
Energy: 0.5938069146358211
Energy: 0.6227953618802502
Energy: 0.5292204184315707
Energy: 0.6227953618836299
Energy: 0.5310137344076857
Energy: 0.5888367531876381
Energy: 0.6514196725473814
Energy: 0.5888367531884829
Energy: 0.5193484524132432
Energy: 0.6206582146975819
Energy: 0.5288751425654126
Energy: 0.6206582146942022
Energy: 0.5339431688480855
Energy: 0.5906868795488582
Energy: 0.5531737779494496
Energy: 0.5906868795454786
Energy: 0.5233039161017675
Energy: 0.5853686139203932
Energy: 0.5394271399855356
Energy: 0.5853686139170134
Energy: 0.5469626351750613
Energy: 0.545389203866391
Energy: 0.5645268740030356
Energy: 0.5453892038672358
Energy: 0.5474316437681516
Energy: 0.6196812313169873
Energy: 0.5434543995306814
Energy: 0.6196812313144526
Energy: 0.5230255713493294
Energy: 0.6202872563679512
Energy: 0.5488383632779896
Energy: 0.6202872563679512
Energy: 0.523653840925216
Energy: 0.5889909793139427
Energy: 0.5404960202872524
Energy: 0.5889909793156326
Energy: 0.5143940528371185
Energy: 0.6206202985207702
Energy: 0.531435653322994
Energy: 0.6206202985199253
Energy: 0.5144625846791
Energy: 0.6315730983651108
Energy: 0.5594689596802526
Energy: 0.6315730983651108
Energy: 0.580178633031241
Energy: 0.5669812288634928
Energy: 0.531084710344512
Energy: 0.5669812288634928
Energy: 0.5241076936227511
Energy: 0.5471313465567332
Energy: 0.5443686850285352
Energy: 0.5471313465558882
Energy: 0.5730911630365274
Energy: 0.5569895881803392
Energy: 0.5245077894382681
Energy: 0.5569895881845638
Energy: 0.610136891757386
Energy: 0.6230262489576587
Energy: 0.623704445484551
Energy: 0.6230262489551239
Energy: 0.5692985447960105
Energy: 0.6238621878473568
Energy: 0.5245799986090631
Energy: 0.6238621878541161
Energy: 0.5239728184857049
Energy: 0.5468589679379634
Energy: 0.6301160314541678
Energy: 0.5468589679404982
Energy: 0.593806914634976
Energy: 0.6227953618802502
Energy: 0.5292204184307258
Energy: 0.6227953618844747
Energy: 0.5310137344085306
Energy: 0.5888367531893278
Energy: 0.6514196725465363
Energy: 0.5888367531901727
Energy: 0.5193484524140881
Energy: 0.6206582146950471
Energy: 0.5288751425654126
Energy: 0.6206582146916675
Energy: 0.5339431688463957
Energy: 0.5906868795480134
Energy: 0.569096911391253
Energy: 0.5906868795446336

minimum gb energy = 0.5143940528371185 eV
minimum distance =  2.57501546885903 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 0.5435801899176038
Energy: 0.5435616697988401
Energy: 0.6621868355102511
Energy: 0.5435616697993623
Energy: 0.6390688191389932
Energy: 0.6323839726532627
Energy: 0.5215787478138677
Energy: 0.6323839726553517
Energy: 0.5172672704218084
Energy: 0.590055763303223
Energy: 0.6547951158985099
Energy: 0.5900557633042673
Energy: 0.5996730531983481
Energy: 0.6120349552495444
Energy: 0.5197245336874163
Energy: 0.6120349552490222
Energy: 0.5235890581517145
Energy: 0.5717899303183286
Energy: 0.5412013835245711
Energy: 0.571789930326162
Energy: 0.5325798081251449
Energy: 0.6928090038134496
Energy: 0.5249330659949363
Energy: 0.6928090038139717
Energy: 0.5308929480743474
Energy: 0.5634799193154398
Energy: 0.5597350046624506
Energy: 0.5634799193170066
Energy: 0.5281871218589734
Energy: 0.6262618820373449
Energy: 0.5186325744657938
Energy: 0.6262618820389116
Energy: 0.5480513837282289
Energy: 0.6232123941326859
Energy: 0.54133134112098
Energy: 0.6232123941332082
Energy: 0.5505778875269769
Energy: 0.7048230368567046
Energy: 0.5279719535135176
Energy: 0.7048230368546158
Energy: 0.5252693298866264
Energy: 0.6889105606704311
Energy: 0.5259663787412204
Energy: 0.6889105606699089
Energy: 0.5159908260632083
Energy: 0.5555341624546607
Energy: 0.5192240243420353
Energy: 0.5555341624536163
Energy: 0.5312455280522245
Energy: 0.6951495670747346
Energy: 0.5198343197433138
Energy: 0.695149567075257
Energy: 0.5304642321257896
Energy: 0.5709387382422578
Energy: 0.5581206388878804
Energy: 0.5709387382438245
Energy: 0.5228593117446368
Energy: 0.6152520206571587
Energy: 0.5473947962526408
Energy: 0.6152520206587254
Energy: 0.5244591074919198
Energy: 0.5909343064372907
Energy: 0.5603982989833007
Energy: 0.5909343064346796
Energy: 0.5469037682333794
Energy: 0.6151692284921577
Energy: 0.5196981484327461
Energy: 0.6151692284895467
Energy: 0.5164752813210579
Energy: 0.5937652504171111
Energy: 0.5480812305398978
Energy: 0.5937652504150221
Energy: 0.5718831790049937
Energy: 0.6317562924448226
Energy: 0.5220569635652419
Energy: 0.6317562924469114
Energy: 0.5223257903244759
Energy: 0.5382098399894248
Energy: 0.5880422006407472
Energy: 0.5382098399889026
Energy: 0.554271602949103
Energy: 0.6116576945130481
Energy: 0.525561611648433
Energy: 0.6116576945135702
Energy: 0.524942700769866
Energy: 0.6339011300201458
Energy: 0.6588117103466794
Energy: 0.6339011300237539
Energy: 0.6301804431348856
Energy: 0.6177498679732479
Energy: 0.5238916980067266
Energy: 0.6177498679748147
Energy: 0.5250228722214716
Energy: 0.5648035092033558
Energy: 0.6302817301272426
Energy: 0.5648035092033558
Energy: 0.5735929054473325
Energy: 0.5936787072391916
Energy: 0.5185294089409918
Energy: 0.5936787072391916
Energy: 0.5210467007314021
Energy: 0.5715978682907519
Energy: 0.5532214507599967
Energy: 0.5715978682902295
Energy: 0.6157937978894676
Energy: 0.6958954919301703
Energy: 0.5259722186758723
Energy: 0.6958954919286036
Energy: 0.5490123526615349
Energy: 0.6153069485294833
Energy: 0.5211234564062525
Energy: 0.6153069485315721
Energy: 0.5546759754387537
Energy: 0.5708194672642463
Energy: 0.5257117216531156
Energy: 0.5708194672637239
Energy: 0.5207813245695617
Energy: 0.6945450575583356
Energy: 0.551864041311346
Energy: 0.6945450575588578
Energy: 0.5193926897640982
Energy: 0.5705885314410521
Energy: 0.515634437513525
Energy: 0.5705885314389633
Energy: 0.524049434723372
Energy: 0.6876128309825115
Energy: 0.523197682175228
Energy: 0.6876128309840782
Energy: 0.525675692270417
Energy: 0.6222147438277985
Energy: 0.6172803376753748
Energy: 0.622214743826754
Energy: 0.563649021309352
Energy: 0.6225852463693065
Energy: 0.5285640207364146
Energy: 0.6225852463693065
Energy: 0.5179289236943423
Energy: 0.5935230238895828
Energy: 0.5614524204053315
Energy: 0.5935230238911495
Energy: 0.5464108363469682
Energy: 0.5643447479443362
Energy: 0.5294695108896852
Energy: 0.5643447479443362
Energy: 0.5238381734411327
Energy: 0.6976815002157483
Energy: 0.533192159099861
Energy: 0.6976815002162704
Energy: 0.5511342651098091
Energy: 0.5723334436900622
Energy: 0.5222743701929309
Energy: 0.57233344368954

minimum gb energy = 0.515634437513525 eV
minimum distance =  2.55611295263858 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 0.47530270954733195
Energy: 0.4760074255337807
Energy: 0.7824071187290349
Energy: 0.4760074255337807
Energy: 0.4736288726275701
Energy: 0.4860806949806525
Energy: 0.47993393240323406
Energy: 0.4860806949806525
Energy: 0.47804484962736765
Energy: 0.5646772463332836
Energy: 0.7915510240220849
Energy: 0.5646772463319174
Energy: 0.48962287680431293
Energy: 0.48613854382062294
Energy: 0.47946201095337
Energy: 0.48613854382062294
Energy: 0.48474373089375716
Energy: 0.5147710250440841
Energy: 0.4750563294382314
Energy: 0.5147710250454506
Energy: 0.48227389510438406
Energy: 0.4733995608622837
Energy: 0.47396966942979035
Energy: 0.4733995608622837
Energy: 0.47810655270571345
Energy: 0.5526601488373288
Energy: 0.473657641162949
Energy: 0.5526601488373288
Energy: 0.49393221062368253
Energy: 0.5518887925585576
Energy: 0.47953124900513605
Energy: 0.5518887925612749
Energy: 0.4781135978760411
Energy: 0.514639030958803
Energy: 0.4899758928498186
Energy: 0.514639030958803
Energy: 0.48763124586880396
Energy: 0.5123941552215081
Energy: 0.4820802923463992
Energy: 0.5123941552201419
Energy: 0.4732989114661188
Energy: 0.48628327779206343
Energy: 0.48372311286699327
Energy: 0.48628327779342984
Energy: 0.4734364804426053
Energy: 0.5515743913804317
Energy: 0.47994875001917076
Energy: 0.5515743913804317
Energy: 0.4781789610944341
Energy: 0.4737548109824203
Energy: 0.48962207424322374
Energy: 0.4737548109796874
Energy: 0.4784939328232343
Energy: 0.5123932325243443
Energy: 0.47850051301400937
Energy: 0.5123932325243443
Energy: 0.4923996402775732
Energy: 0.4737491580847602
Energy: 0.47820067515016484
Energy: 0.4737491580833938

minimum gb energy = 0.4732989114661188 eV
minimum distance =  2.59547755491694 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 0.4804785549624967
Energy: 0.6295637076081484
Energy: 0.7193022790387105
Energy: 0.6295637076070029
Energy: 0.5749968515807659
Energy: 0.6459743077225083
Energy: 0.4592796761790142
Energy: 0.6459743077225083
Energy: 0.4600773943433911
Energy: 0.5476553962273807
Energy: 0.6664647193853882
Energy: 0.5476553960407543
Energy: 0.4628661376306319
Energy: 0.6460738719848645
Energy: 0.45856575230540986
Energy: 0.6460738719820011
Energy: 0.46515901190579234
Energy: 0.5682383194526749
Energy: 0.5024964349462988
Energy: 0.5682383194532475
Energy: 0.46309954613027693
Energy: 0.5553547717981344
Energy: 0.47110212189452016
Energy: 0.5553547717855347
Energy: 0.4654564310442958
Energy: 0.566263304962351
Energy: 0.5649038060866434
Energy: 0.5662633049778143
Energy: 0.4605726556165626
Energy: 0.557285691495073
Energy: 0.47118196049960054
Energy: 0.5572856914916369
Energy: 0.4655778304385541
Energy: 0.6412946485710856
Energy: 0.5575518918837088
Energy: 0.6412946485716583
Energy: 0.5543904428112032
Energy: 0.5777731859175879
Energy: 0.4587987394256023
Energy: 0.5777731859221695
Energy: 0.4662964549582944
Energy: 0.576538308334935
Energy: 0.470942963514038
Energy: 0.5765383083377985
Energy: 0.5624556115427725
Energy: 0.6456720800368847
Energy: 0.4640912423629368
Energy: 0.6456720800408937
Energy: 0.4842958913749855
Energy: 0.6440752620953224
Energy: 0.48443845254989426
Energy: 0.6440752620873045
Energy: 0.6371460727948585
Energy: 0.5764444345566863
Energy: 0.4629710397519403
Energy: 0.5764444345561136
Energy: 0.4657825946642489
Energy: 0.5470149144004084
Energy: 0.4893269515954284
Energy: 0.5470149144049901
Energy: 0.48147493296889715
Energy: 0.5755316160797723
Energy: 0.455971110203321
Energy: 0.5755316160837813
Energy: 0.4731686943876723
Energy: 0.6348814868524338
Energy: 0.45594505699289817
Energy: 0.6348814868524338
Energy: 0.4743055152396434
Energy: 0.6382961134501173
Energy: 0.4786855866995694
Energy: 0.6382961134455357
Energy: 0.47243767335774545
Energy: 0.5578950527641188
Energy: 0.47850244722383156
Energy: 0.5578950527675549
Energy: 0.4728956913897667
Energy: 0.5576549960156887
Energy: 0.47846012489711714
Energy: 0.5576549960259974
Energy: 0.47433126533900055
Energy: 0.6380020028171274
Energy: 0.478462418568272
Energy: 0.6380020028182728
Energy: 0.4731211900625293
Energy: 0.6347628064041668
Energy: 0.4558439159411559
Energy: 0.6347628064076031
Energy: 0.4814215225734865
Energy: 0.5756352941422034
Energy: 0.4561576862635807
Energy: 0.575635294146785
Energy: 0.46565019650595685
Energy: 0.5465214842734323
Energy: 0.48085311890517307
Energy: 0.5465214842825957
Energy: 0.6373139646068802
Energy: 0.5774686463028307
Energy: 0.4631893941038398
Energy: 0.5774686462971036
Energy: 0.48426674760830024
Energy: 0.6436890051846548
Energy: 0.47791502551606974
Energy: 0.6436890051829367
Energy: 0.562417406685009
Energy: 0.6455201897797758
Energy: 0.4633906242610748
Energy: 0.6455201897797758
Energy: 0.4664278108952339
Energy: 0.5766009370265469
Energy: 0.46168177027382185
Energy: 0.5766009370236833
Energy: 0.554373458057101
Energy: 0.5772507972067966
Energy: 0.4585760402940944
Energy: 0.5772507972176782
Energy: 0.4657448541624856
Energy: 0.6415141984046673
Energy: 0.554272937172369
Energy: 0.6415141984172409
Energy: 0.4606529226907848
Energy: 0.5567437176209172
Energy: 0.4709381632701855
Energy: 0.5567437176146174
Energy: 0.465687657271301
Energy: 0.5660694974055211
Energy: 0.6467670927862982
Energy: 0.566069497418121
Energy: 0.4623128363968565
Energy: 0.5553113918686688
Energy: 0.47095789203078353
Energy: 0.555311391866378
Energy: 0.46582504098374433
Energy: 0.5684473181229125
Energy: 0.632942051612291
Energy: 0.5684473181274942
Energy: 0.4628202801369166
Energy: 0.6462608740074764
Energy: 0.45863322510812055
Energy: 0.6462608740028947

minimum gb energy = 0.4558439159411559 eV
minimum distance =  2.5089439930158 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 0.5088863547852202
Energy: 0.509316661131863
Energy: 0.5524815437080929
Energy: 0.509316661131863
Energy: 0.5463837103036434
Energy: 0.5714417152490773
Energy: 0.42824136528317336
Energy: 0.5714417152510479
Energy: 0.43686784164737874
Energy: 0.5858994298985513
Energy: 0.5443174084162336
Energy: 0.585899429897566
Energy: 0.5466981765622702
Energy: 0.5109609419859279
Energy: 0.4309308055116069
Energy: 0.5109609419869134
Energy: 0.42990653605973717
Energy: 0.5672359063371535
Energy: 0.49425656557097897
Energy: 0.5672359063361682
Energy: 0.44241901560937746
Energy: 0.6347821949624757
Energy: 0.4896318621902692
Energy: 0.6347821949634609
Energy: 0.4356952990909065
Energy: 0.7077508329440999
Energy: 0.6409174625756245
Energy: 0.7077508329431146
Energy: 0.42508493486771415
Energy: 0.4396485825943364
Energy: 0.44011425880013233
Energy: 0.4396485825953217
Energy: 0.429109412982971
Energy: 0.43924970494186116
Energy: 0.5670918832305717
Energy: 0.43924970494186116
Energy: 0.541203073352127
Energy: 0.5778980816737344
Energy: 0.4895209529297942
Energy: 0.5778980816717636
Energy: 0.4372359847000635
Energy: 0.6817890144104382
Energy: 0.4892575006550338
Energy: 0.6817890144104382
Energy: 0.5891032995131841
Energy: 0.5675384617237511
Energy: 0.43093114743754213
Energy: 0.5675384617227657
Energy: 0.489414587489487
Energy: 0.6418299534638104
Energy: 0.5083191068260947
Energy: 0.6418299534657812
Energy: 0.6413861502854586
Energy: 0.710378449883941
Energy: 0.4250562780743544
Energy: 0.7103784498859118
Energy: 0.509036678726074
Energy: 0.5191414617957835
Energy: 0.42494278879325514
Energy: 0.5191414617947981
Energy: 0.5089534477176696
Energy: 0.5773427376843406
Energy: 0.4282225002816788
Energy: 0.5773427376863112
Energy: 0.4895354418505514
Energy: 0.6861485668995243
Energy: 0.4365472741352818
Energy: 0.686148566898539
Energy: 0.4892694862233124
Energy: 0.6794185181017601
Energy: 0.42993437709329263
Energy: 0.6794185181027455
Energy: 0.42998407615771395
Energy: 0.5677420406996948
Energy: 0.4302423544962937
Energy: 0.5677420406996948
Energy: 0.4300459126739892
Energy: 0.6412196013255712
Energy: 0.4894406776843518
Energy: 0.6412196013236005

minimum gb energy = 0.42494278879325514 eV
minimum distance =  2.5248904831614 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 0.46513912907933375
Energy: 0.611746556017457
Energy: 0.6677376342179172
Energy: 0.6117465560205346
Energy: 0.5708566068508999
Energy: 0.6067864536082889
Energy: 0.3959555372473968
Energy: 0.6067864536090583
Energy: 0.4426193363374071
Energy: 0.4556868961856735
Energy: 0.47210390512654177
Energy: 0.4556868961856735
Energy: 0.5565155339959373
Energy: 0.5668210156547848
Energy: 0.3962800314559607
Energy: 0.5668210156524767
Energy: 0.4002304209733058
Energy: 0.6014447772183641
Energy: 0.44180286838741883
Energy: 0.6014447772137476
Energy: 0.43592899017974346
Energy: 0.6068231796280767
Energy: 0.4018995822406166
Energy: 0.606823179626538
Energy: 0.3979551120263141
Energy: 0.49442765964028146
Energy: 0.5500936163321902
Energy: 0.49442765964412855
Energy: 0.39511554024369916
Energy: 0.560929432971283
Energy: 0.44347747343162286
Energy: 0.5609294329720526
Energy: 0.39495084539299513
Energy: 0.6064880398300357
Energy: 0.6352562443584072
Energy: 0.6064880398300357
Energy: 0.38900236682222966
Energy: 0.5929658267189246
Energy: 0.41417750280717636
Energy: 0.592965826721233
Energy: 0.3958811008460322
Energy: 0.4947677983450529
Energy: 0.5845572626958515
Energy: 0.49476779834582235
Energy: 0.4718023279115074
Energy: 0.625606772809084
Energy: 0.4434563411112127
Energy: 0.6256067728083146
Energy: 0.39695343862830257
Energy: 0.5666552269370849
Energy: 0.5466202625793235
Energy: 0.5666552269378544
Energy: 0.5042410989091469
Energy: 0.6037630847222515
Energy: 0.40185606799427037
Energy: 0.6037630847222515
Energy: 0.40429394527419055
Energy: 0.5461520557148898
Energy: 0.4361200169905779
Energy: 0.5461520557148898
Energy: 0.5503596106636233
Energy: 0.6346906356526731
Energy: 0.4004463940596836
Energy: 0.6346906356534425
Energy: 0.44581201870424597
Energy: 0.5699004593884986
Energy: 0.3903485532632846
Energy: 0.5699004593892683
Energy: 0.5444932570822891
Energy: 0.6102479247264367
Energy: 0.3961141649749652
Energy: 0.6102479247264367
Energy: 0.46781812855966964
Energy: 0.6118721331609692
Energy: 0.3877098293443667
Energy: 0.6118721331609692
Energy: 0.6383052009401794
Energy: 0.6289643490679172
Energy: 0.39615623488409496
Energy: 0.6289643490671478
Energy: 0.44572661095347893
Energy: 0.6240341215828136
Energy: 0.39453648025657395
Energy: 0.6240341215828136
Energy: 0.4434662184025245
Energy: 0.5742809197717209
Energy: 0.39919761288952743
Energy: 0.5742809197717209
Energy: 0.40420531262767545
Energy: 0.5091347177474652
Energy: 0.5041202759782056
Energy: 0.509134717743618
Energy: 0.43599147869049826
Energy: 0.6248569564999287
Energy: 0.4004635740494747
Energy: 0.6248569564960818
Energy: 0.39655611317121225
Energy: 0.5322149816279809
Energy: 0.5518894452264006
Energy: 0.5322149816325975
Energy: 0.38967856666357303
Energy: 0.5778147038184538
Energy: 0.4435972715173275
Energy: 0.5778147038192232

minimum gb energy = 0.3877098293443667 eV
minimum distance =  2.50886270267617 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 0.5194213358989888
Energy: 0.5456548414096986
Energy: 0.4574490526955572
Energy: 0.5456548414090677
Energy: 0.5512119965588366
Energy: 0.5350423904876139
Energy: 0.3613346520466521
Energy: 0.5350423904876139
Energy: 0.36993058757933583
Energy: 0.5368279957303321
Energy: 0.45764149371565516
Energy: 0.5368279957297014
Energy: 0.5171763942534968
Energy: 0.537458179169025
Energy: 0.36146591287491464
Energy: 0.537458179169025
Energy: 0.35856075966912015
Energy: 0.5365312900779611
Energy: 0.356268424955792
Energy: 0.5365312900760687
Energy: 0.4364137311034855
Energy: 0.5346626403880449
Energy: 0.3613316985959791
Energy: 0.5346626403874141
Energy: 0.36092245425924785
Energy: 0.5306958945062416
Energy: 0.4505459785569488
Energy: 0.5306958945049799
Energy: 0.35741572262200255
Energy: 0.4593971370537422
Energy: 0.35915512252537646
Energy: 0.4593971370543731
Energy: 0.36297393228268754
Energy: 0.559227326771825
Energy: 0.5396536101349771
Energy: 0.5592273267711941
Energy: 0.3587853164002179
Energy: 0.527995327313644
Energy: 0.37041720329905115
Energy: 0.5279953273123824
Energy: 0.3608597833115607
Energy: 0.5339979531978238
Energy: 0.5961458319989388
Energy: 0.5339979531984547
Energy: 0.3583351388365373
Energy: 0.543210396454094
Energy: 0.5197119688478095
Energy: 0.5432103964515708
Energy: 0.3628703403854596
Energy: 0.5589247600535472
Energy: 0.5972607819440559
Energy: 0.5589247600541779
Energy: 0.4155982758851753
Energy: 0.47905512235168357
Energy: 0.37041297643710996
Energy: 0.4790551223510528
Energy: 0.3608965628186658
Energy: 0.5342000350615795
Energy: 0.5169725741564027
Energy: 0.5342000350609487
Energy: 0.45319527807363247
Energy: 0.5574857795136752
Energy: 0.3591476761659798
Energy: 0.5574857795130445
Energy: 0.36290384570744616
Energy: 0.559542214861878
Energy: 0.43719211948086273
Energy: 0.5595422148631396
Energy: 0.4508636332075561
Energy: 0.4791657892612455
Energy: 0.3613889120552312
Energy: 0.47916578925178355
Energy: 0.3610025535750041
Energy: 0.4591733772999217
Energy: 0.356832625935283
Energy: 0.4591733772999217
Energy: 0.4540688741818485
Energy: 0.5579179727898158
Energy: 0.36532396345969886
Energy: 0.5579179727910776
Energy: 0.371798133766
Energy: 0.5603317415121103
Energy: 0.35862299839513573
Energy: 0.5603317415114794
Energy: 0.5972634301640329
Energy: 0.5817279859202489
Energy: 0.3612886651063788
Energy: 0.5817279859202489
Energy: 0.5206585870836661
Energy: 0.541617282229439
Energy: 0.3581530589388013
Energy: 0.5416172822313312
Energy: 0.5219601181599507
Energy: 0.558459886774689
Energy: 0.36537470764172464
Energy: 0.5584598867753199
Energy: 0.37178855512637904
Energy: 0.4791658721423486
Energy: 0.36390236526003583
Energy: 0.47916587214424095
Energy: 0.5150664447648827
Energy: 0.5824392089374015
Energy: 0.3614162992308689
Energy: 0.5824392089367708
Energy: 0.36097866700155457
Energy: 0.5556744423139695
Energy: 0.45488881456166586
Energy: 0.5556744423139695
Energy: 0.3595528227095249
Energy: 0.559085937978451
Energy: 0.3650623478850232
Energy: 0.5590859379803147
Energy: 0.3629964008723354
Energy: 0.47928846793864655
Energy: 0.45039006508728446
Energy: 0.4792884679367542
Energy: 0.35654268382395804
Energy: 0.5801976197242299
Energy: 0.36357769322511957
Energy: 0.5801976197248608
Energy: 0.367879095178487
Energy: 0.5556268449998513
Energy: 0.4545043959928088
Energy: 0.5556268449973281
Energy: 0.3576351384216466
Energy: 0.5594914222418415
Energy: 0.3742371146468163
Energy: 0.559491422243103

minimum gb energy = 0.356268424955792 eV
minimum distance =  2.53797371564539 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 0.4748125914724174
Energy: 0.5253497746723614
Energy: 0.48130792807789885
Energy: 0.5253497746739646
Energy: 0.5587192829420036
Energy: 0.508972141355171
Energy: 0.3415080512230616
Energy: 0.508972141355171
Energy: 0.3512045740833309
Energy: 0.49409451378568703
Energy: 0.5719403656174441
Energy: 0.4940945137840839
Energy: 0.5349919428152733
Energy: 0.5087706596450563
Energy: 0.3413491078645627
Energy: 0.5087706596429188
Energy: 0.3396301568399769
Energy: 0.5276516737785385
Energy: 0.33397240185221894
Energy: 0.527651673776401
Energy: 0.464353033198512
Energy: 0.5086252171142447
Energy: 0.3413759029349424
Energy: 0.5086252171121072
Energy: 0.34110307213794044
Energy: 0.48261931140614345
Energy: 0.4139542249212106
Energy: 0.48261931140667785
Energy: 0.39996472309547876
Energy: 0.4824138105914499
Energy: 0.3412762812347555
Energy: 0.48241381059305305
Energy: 0.34235552931202834
Energy: 0.5291490034395827
Energy: 0.4885769370988221
Energy: 0.5291490034374451
Energy: 0.3327565219845435
Energy: 0.509429780623482
Energy: 0.3398618579906972
Energy: 0.509429780623482
Energy: 0.3409831516668199
Energy: 0.5082955157805029
Energy: 0.5541557678149467
Energy: 0.5082955157794341
Energy: 0.3353830508975396
Energy: 0.4935499263798995
Energy: 0.3514795083617416
Energy: 0.4935499263815026
Energy: 0.3423177636066728
Energy: 0.5290038150524377
Energy: 0.5994728388814045
Energy: 0.5290038150529719
Energy: 0.3334650041553148
Energy: 0.5244571021453289
Energy: 0.4751485362373865
Energy: 0.5244571021480008
Energy: 0.3411214742906249
Energy: 0.5077044358580126
Energy: 0.6051129413901846
Energy: 0.50770443586015
Energy: 0.3813083370579426
Energy: 0.49359614829031123
Energy: 0.35153690025245954
Energy: 0.49359614829031123
Energy: 0.3422575604292808
Energy: 0.5290638552238475
Energy: 0.5349024305654679
Energy: 0.5290638552227785
Energy: 0.416531873712441
Energy: 0.5278235407023752
Energy: 0.3399851872320887
Energy: 0.5278235407002378
Energy: 0.34111229543721294
Energy: 0.5078840322305939
Energy: 0.4650788202645468
Energy: 0.5078840322316626
Energy: 0.4140312616834352
Energy: 0.5067637172336017
Energy: 0.3413231901854863
Energy: 0.506763717234136
Energy: 0.3422697896505592
Energy: 0.5178090058489574
Energy: 0.40002176901890746
Energy: 0.5178090058489574
Energy: 0.41235139125348785
Energy: 0.5498684857321876
Energy: 0.3439527854069896
Energy: 0.5498684857337908
Energy: 0.34096652904047275
Energy: 0.5083675504628659
Energy: 0.3327388246566433
Energy: 0.5083675504639346
Energy: 0.5547561915389798
Energy: 0.5068506375100676
Energy: 0.3413144404036474
Energy: 0.5068506375095333
Energy: 0.35239536363139357
Energy: 0.5192160715037041
Energy: 0.3350179795182807
Energy: 0.5192160715037041
Energy: 0.551360078385887
Energy: 0.5274074932607491
Energy: 0.3439401685703846
Energy: 0.5274074932586117
Energy: 0.47612839232905607
Energy: 0.5218170171618581
Energy: 0.33348134106048
Energy: 0.5218170171613238
Energy: 0.6143893123711016
Energy: 0.5064815943851435
Energy: 0.34169206618510434
Energy: 0.5064815943830061
Energy: 0.35241147879766355
Energy: 0.5362411195969757
Energy: 0.33641176383662025
Energy: 0.5362411195964414
Energy: 0.4675546510041136
Energy: 0.5274363364922665
Energy: 0.34396732458944906
Energy: 0.5274363364949384
Energy: 0.34098167880188496
Energy: 0.5245657221086756
Energy: 0.4160216773760751
Energy: 0.5245657221097443
Energy: 0.4647109869803177
Energy: 0.507544846710388
Energy: 0.34165072423328396
Energy: 0.5075448467114568
Energy: 0.3423483839390639
Energy: 0.5363772935777452
Energy: 0.4142491731921011
Energy: 0.5363772935788139
Energy: 0.33400213168332865
Energy: 0.5179942111104594
Energy: 0.34386278184076013
Energy: 0.5179942111093907
Energy: 0.3365884390369063
Energy: 0.5246438499100347
Energy: 0.4117415097244239
Energy: 0.524643849908966
Energy: 0.3330294103868376
Energy: 0.5074622480775188
Energy: 0.34301133193515404
Energy: 0.50746224807645
Energy: 0.34229777002028455
Energy: 0.5365110608106629
Energy: 0.5457743302289056
Energy: 0.5365110608106629

minimum gb energy = 0.3327388246566433 eV
minimum distance =  2.58099546037448 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 0.4432379909232013
Energy: 0.4896774932792615
Energy: 0.40419616304875927
Energy: 0.48967749328111543
Energy: 0.5745709891790733
Energy: 0.470034232210276
Energy: 0.3114910412899108
Energy: 0.470034232210276
Energy: 0.42673476085969125
Energy: 0.4510771209145393
Energy: 0.4045648420642672
Energy: 0.45107712091314883
Energy: 0.54712526520497
Energy: 0.4700676548178914
Energy: 0.31149619072472307
Energy: 0.4700676548188184
Energy: 0.3248956331929863
Energy: 0.4374919715762564
Energy: 0.30104794543777025
Energy: 0.4374919715753295
Energy: 0.4766981628606554
Energy: 0.4708829973192479
Energy: 0.3114487397682956
Energy: 0.47088299731971134
Energy: 0.3100589010661845
Energy: 0.4527877189161599
Energy: 0.3713766585119703
Energy: 0.4527877189115252
Energy: 0.4136361576072024
Energy: 0.47194534803392013
Energy: 0.31150499395342424
Energy: 0.471945348034847
Energy: 0.3112695278625759
Energy: 0.4335991899098627
Energy: 0.4277145884108108
Energy: 0.43359918991032614
Energy: 0.3583449752656571
Energy: 0.45327726951661174
Energy: 0.3103374654689178
Energy: 0.4532772695175386
Energy: 0.31232491748103447
Energy: 0.47280094843415155
Energy: 0.48142012087792097
Energy: 0.47280094843554193
Energy: 0.30103318496496245
Energy: 0.4948949802433224
Energy: 0.3251184088230863
Energy: 0.4948949802433224
Energy: 0.3111420570558534
Energy: 0.443217783104012
Energy: 0.5434647034319262
Energy: 0.443217783104012
Energy: 0.30326329654244777
Energy: 0.44613811171518447
Energy: 0.42714739457340273
Energy: 0.446138111714721
Energy: 0.31224463188140594
Energy: 0.46970818821451427
Energy: 0.5938428282746082
Energy: 0.46970818821451427
Energy: 0.30223042681523055
Energy: 0.4899687334524518
Energy: 0.4435150164451862
Energy: 0.4899687334529152
Energy: 0.3111955870560247
Energy: 0.4432101689420674
Energy: 0.5944351999600765
Energy: 0.44321016894253085
Energy: 0.34512881093805947
Energy: 0.4456631585623445
Energy: 0.42705300318204975
Energy: 0.44566315856373484
Energy: 0.312228476721685
Energy: 0.46979041653098824
Energy: 0.547500750572201
Energy: 0.46979041653098824
Energy: 0.37334518692645735
Energy: 0.49751375906049383
Energy: 0.32510004238846324
Energy: 0.49751375906049383
Energy: 0.31125468083741786
Energy: 0.44333910763518447
Energy: 0.47651857294720107
Energy: 0.44333910763657486
Energy: 0.37142355059922155
Energy: 0.43805271816247604
Energy: 0.31035321444199215
Energy: 0.43805271816432984
Energy: 0.31219752630886993
Energy: 0.46908969737924117
Energy: 0.41377996894722036
Energy: 0.4690896973787777
Energy: 0.3708606023031831
Energy: 0.4975777365138832
Energy: 0.31148034496737875
Energy: 0.4975777365134198
Energy: 0.31108570880067393
Energy: 0.3909485451241747
Energy: 0.3582927620930454
Energy: 0.39094854512371124
Energy: 0.4811979509984906
Energy: 0.46579789610743305
Energy: 0.31338708006485305
Energy: 0.4657978961088234
Energy: 0.3255867227237294
Energy: 0.4694008512119605
Energy: 0.3013414262507089
Energy: 0.469400851211497
Energy: 0.48535125240966187
Energy: 0.4981628917149876
Energy: 0.3113768298930808
Energy: 0.49816289171545114
Energy: 0.42800394274310793
Energy: 0.44508244071621106
Energy: 0.30346692443333034
Energy: 0.4450824407166745
Energy: 0.5939739694143635
Energy: 0.4650435882726319
Energy: 0.31329604718364534
Energy: 0.4650435882726319
Energy: 0.4442426823291463
Energy: 0.4868680214520832
Energy: 0.30220841607328747
Energy: 0.4868680214530101
Energy: 0.5346926686769459
Energy: 0.4981336741883154
Energy: 0.3113213693258923
Energy: 0.4981336741883154
Energy: 0.4280968757665718
Energy: 0.44526222485326583
Energy: 0.30805816275813097
Energy: 0.4452622248537293
Energy: 0.5352879970540779
Energy: 0.4652101222375475
Energy: 0.31343756590849703
Energy: 0.4652101222384744
Energy: 0.3255589334820511
Energy: 0.4939218491784814
Energy: 0.3733261289318906
Energy: 0.4939218491798718
Energy: 0.4171566159607537
Energy: 0.49590692587406615
Energy: 0.31142268407708973
Energy: 0.4959069258745296
Energy: 0.31106879411817717
Energy: 0.43952571414139946
Energy: 0.37140618893486443
Energy: 0.439525714140936
Energy: 0.4138513979969647
Energy: 0.46964411074926804
Energy: 0.31328658156807904
Energy: 0.46964411075065843
Energy: 0.3121751928723742
Energy: 0.49405556828074626
Energy: 0.3706307176366656
Energy: 0.49405556828074626
Energy: 0.3024879340031377
Energy: 0.48345890000035424
Energy: 0.31235840418979594
Energy: 0.48345890000035424
Energy: 0.3145557108256311
Energy: 0.4650635538482979
Energy: 0.4813661363351078
Energy: 0.4650635538487614
Energy: 0.3009401666052079
Energy: 0.4692964670280876
Energy: 0.3264882605925384
Energy: 0.46929646702716066
Energy: 0.31207948254660867
Energy: 0.4940399948504946
Energy: 0.48534822503365777
Energy: 0.49403999485095806

minimum gb energy = 0.3009401666052079 eV
minimum distance =  2.58735409222172 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.011837676978749849
Energy: 0.012794219851681825
Energy: 0.4669614101690865
Energy: 0.012794219851681825
Energy: 0.466886064158051
Energy: 0.17837542710542673
Energy: 0.17910579642284408
Energy: 0.17837542710509025
Energy: 0.011837676978749849
Energy: 0.012794219851681825
Energy: 0.4669630286922664
Energy: 0.01279421985132554
Energy: 0.466886064158051
Energy: 0.17837542710473392
Energy: 0.17910579642248778
Energy: 0.17837542710509025
Energy: 0.011837676978413359
Energy: 0.012794219851681825
Energy: 0.46696300467079827
Energy: 0.012794219852018318
Energy: 0.466886064158051
Energy: 0.17837542710542673
Energy: 0.17910579642318059
Energy: 0.17837542710509025

minimum gb energy = 0.011837676978413359 eV
minimum distance =  2.83077592841775 Angstroms
sigma value = 1