Model name: model_name=MEAM_LAMMPS_KoShimLee_2011_AlH__MO_127847080751_002
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=4.044650807976723
cohesive_energy=3.360264280659711
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.06278639450866e-19, 2.6524835264187e-19, 3.0828281703111e-19, 3.42542159995932e-19, 3.7098079524943198e-19, 3.95159242833126e-19, 4.16019582607806e-19, 4.3418986781399995e-19, 4.501026861428879e-19, 4.6330141725378e-19, 4.755500576207099e-19, 4.86327899837628e-19, 4.95782344154862e-19, 5.040431668797659e-19, 5.1121450949355e-19, 5.17389298240986e-19, 5.22644437600506e-19, 5.2704401463747e-19, 5.3064891206397e-19, 5.335087973556599e-19, 5.356685314582919e-19, 5.371681687877159e-19, 5.38046161583148e-19, 5.38331349024e-19, 5.38023731110272e-19, 5.37030381597192e-19, 5.35229535060576e-19, 5.32472189073462e-19, 5.285869107360119e-19, 5.23362212732538e-19, 5.16548155508136e-19, 5.078355189724439e-19, 4.968542003230079e-19, 4.831459770425039e-19, 4.661420764258619e-19, 4.45142347284024e-19, 4.19262388115022e-19, 3.87383879628324e-19, 3.48079282443036e-19, 2.9950288907678997e-19, 2.3924502587205e-19, 1.6410935044398598e-19, 6.98005874545074e-20, -4.955259958934219e-20, -2.02137012851976e-19, -3.99602078639208e-19, -6.58964034327762e-19, -1.005825662528958e-18, -1.4800314939537417e-18, -2.1462758189064e-18, -3.11512805125254e-18, -4.58810516148678e-18, -6.96430934913852e-18, -1.112867083446498e-17]
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: 0.01035319820435145
Energy: 0.050101936266173396
Energy: 0.49344707978469454
Energy: 0.010812908045307424
Energy: 0.050101936266173396
Energy: 0.48570790195883795
Energy: 0.010812908045307424
Energy: 0.4857079019593112
Energy: 0.4934470797842213
Energy: 0.010812908045307424
Energy: 0.01035319820435145
Energy: 0.050101936266173396
Energy: 0.010812908045307424
Energy: 0.48570790195883795
Energy: 0.050101936266173396
Energy: 0.4857079019593112

minimum gb energy = 0.01035319820435145 eV
minimum distance =  2.73407094236023 Angstroms
sigma value = 1


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

Energy: 0.5762673242748826
Energy: 0.5681169513126828
Energy: 0.5694373115640594
Energy: 0.5247480904302384
Energy: 0.5299456283468528
Energy: 0.5580823681884041
Energy: 0.5306465653203
Energy: 0.5580823681877963
Energy: 0.5684453470760519
Energy: 0.5682507770625079
Energy: 0.5301350190619181
Energy: 0.5682507770625079
Energy: 0.5301050860914711
Energy: 0.5503512265989113
Energy: 0.5307484497049831
Energy: 0.5503512265983036
Energy: 0.5399325928627003
Energy: 0.5494608420412607
Energy: 0.5316548027929403
Energy: 0.5494608420412607
Energy: 0.5302780640994043
Energy: 0.5640179352942454
Energy: 0.5317121305587994
Energy: 0.564017935294853
Energy: 0.5432020429374348
Energy: 0.5658119674723705
Energy: 0.5408284890302475
Energy: 0.5658119674729781
Energy: 0.5435995105771854
Energy: 0.5643284032394297
Energy: 0.5451054526130817
Energy: 0.5643284032400374
Energy: 0.5441213718404868
Energy: 0.5525598405471416
Energy: 0.5450073441912721
Energy: 0.5525598405471416
Energy: 0.5582393237699163
Energy: 0.5530433254626457
Energy: 0.5450139402214457
Energy: 0.5530433254626457
Energy: 0.5432865464619799
Energy: 0.552549859451159
Energy: 0.5456273419094732
Energy: 0.552549859451159
Energy: 0.5434959300526266
Energy: 0.552840683299292
Energy: 0.5623846847083007
Energy: 0.552840683299292
Energy: 0.5454508630254145
Energy: 0.5647238376727833
Energy: 0.5354375037331305
Energy: 0.5647238376727833
Energy: 0.5305199347195191
Energy: 0.5633192215694139
Energy: 0.547481774835612
Energy: 0.5633192215694139
Energy: 0.5350962065695276
Energy: 0.5498054208309773
Energy: 0.5450446577051571
Energy: 0.5498054208303695
Energy: 0.5237780940867071
Energy: 0.5497104934939235
Energy: 0.5302412386103974
Energy: 0.5497104934945312
Energy: 0.5684248356295547
Energy: 0.5310763995375368
Energy: 0.5246120205366931
Energy: 0.5310763995369291
Energy: 0.5308040314429845
Energy: 0.5495582365166509
Energy: 0.5351896185304821
Energy: 0.5495582365166509
Energy: 0.530816538144734
Energy: 0.5715784019636866
Energy: 0.5695885898993018
Energy: 0.5715784019630791
Energy: 0.529230302126805
Energy: 0.5496069257833512
Energy: 0.5299239161735863
Energy: 0.549606925783959
Energy: 0.5325300178173372
Energy: 0.5493560117559233
Energy: 0.5401481403384942
Energy: 0.5493560117559233
Energy: 0.5321035411046895
Energy: 0.5499010613801296
Energy: 0.5301396353577503
Energy: 0.5499010613795219
Energy: 0.5412908823951074
Energy: 0.5650840003031903
Energy: 0.5424500190447538
Energy: 0.5650840003031903
Energy: 0.5470769772436532
Energy: 0.549250412090774
Energy: 0.5416397970241088
Energy: 0.549250412090774
Energy: 0.5512003002802202
Energy: 0.5533433171234899
Energy: 0.5443876298457987
Energy: 0.5533433171234899
Energy: 0.5455572382893976
Energy: 0.553527118551504
Energy: 0.559470978274406
Energy: 0.553527118551504
Energy: 0.5456230779229368
Energy: 0.5532999235706684
Energy: 0.5432133462659492
Energy: 0.5532999235706684
Energy: 0.5611945690260892
Energy: 0.5517731570406625
Energy: 0.5404969857142576
Energy: 0.5517731570412702
Energy: 0.5360071356316665
Energy: 0.564694334436169
Energy: 0.5411465964352893
Energy: 0.564694334436169
Energy: 0.5464022497604385
Energy: 0.5635263706718587
Energy: 0.5360713629277897
Energy: 0.563526370671251
Energy: 0.5319179381850422
Energy: 0.5503338730436471
Energy: 0.5350824080828998
Energy: 0.5503338730436471
Energy: 0.5308339206732652
Energy: 0.550240952771827
Energy: 0.5235289446408449
Energy: 0.5502409527712193
Energy: 0.5243940024549927
Energy: 0.5308582695273157
Energy: 0.5306489593607248
Energy: 0.5308582695261004

minimum gb energy = 0.5235289446408449 eV
minimum distance =  2.52889275586675 Angstroms
sigma value = 1


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

Energy: 0.6102847936710442
Energy: 0.5950105520895617
Energy: 0.5950467744849007
Energy: 0.5469640663945455
Energy: 0.5534916261768286
Energy: 0.5825617274463385
Energy: 0.553536993171636
Energy: 0.5825617274463385
Energy: 0.5957604038664088
Energy: 0.5953389983267817
Energy: 0.5530837230116394
Energy: 0.5953389983267817
Energy: 0.5523584056370457
Energy: 0.5752038941171786
Energy: 0.5536696059583028
Energy: 0.5752038941171786
Energy: 0.5539155763641598
Energy: 0.5750260696686543
Energy: 0.5539529073385393
Energy: 0.5750260696686543
Energy: 0.5529263220847314
Energy: 0.5929480642692406
Energy: 0.5552239415762356
Energy: 0.5929480642706263
Energy: 0.5667928900398439
Energy: 0.5937949054386839
Energy: 0.5661053100333122
Energy: 0.5937949054386839
Energy: 0.5678634548566028
Energy: 0.588396503067766
Energy: 0.5692843990149503
Energy: 0.5883965030670733
Energy: 0.5674351501258846
Energy: 0.5836977989837993
Energy: 0.5694253993868723
Energy: 0.5836977989831064
Energy: 0.5675096719546179
Energy: 0.585991954022713
Energy: 0.5673343359298018
Energy: 0.5859919540199418
Energy: 0.5598374993358773
Energy: 0.5935820763405115
Energy: 0.5661968137095799
Energy: 0.5935820763405115
Energy: 0.5740090402581266
Energy: 0.5926847052817665
Energy: 0.553426552644563
Energy: 0.5926847052803809
Energy: 0.5550527814544034
Energy: 0.5746738220944422
Energy: 0.5591339522779389
Energy: 0.574673822095135
Energy: 0.5539390543516326
Energy: 0.5746395893968144
Energy: 0.5451570475633322
Energy: 0.5746395893954287
Energy: 0.5448432089734971
Energy: 0.5530003013894845
Energy: 0.5959079580493993
Energy: 0.5530003013894845
Energy: 0.5597600764650478
Energy: 0.5746401815462708
Energy: 0.5535791530706842
Energy: 0.5746401815483495
Energy: 0.5970721082392001
Energy: 0.5972222108197776
Energy: 0.5538520249720446
Energy: 0.5972222108211632
Energy: 0.5529292415451955
Energy: 0.5533123777949162
Energy: 0.5520262302116942
Energy: 0.5533123777949162
Energy: 0.5542931721807464
Energy: 0.5752850710163865
Energy: 0.5537568123143982
Energy: 0.5752850710177722
Energy: 0.5531982504017765
Energy: 0.574538328931936
Energy: 0.555937378097684
Energy: 0.5745383289326288
Energy: 0.5679424131258741
Energy: 0.5943486819317417
Energy: 0.5656460734842996
Energy: 0.5943486819331274
Energy: 0.5670171730512078
Energy: 0.5924783753851515
Energy: 0.5676111910443022
Energy: 0.5924783753851515
Energy: 0.5663342017544095
Energy: 0.5841722195414283
Energy: 0.5691968702977533
Energy: 0.5841722195421212
Energy: 0.5670527076153177
Energy: 0.5839858179620595
Energy: 0.5685891424725656
Energy: 0.5839858179599811
Energy: 0.5595517363789319
Energy: 0.5938766901390543
Energy: 0.566866665528806
Energy: 0.5938766901383613
Energy: 0.561533688420568
Energy: 0.5926485025457809
Energy: 0.553923913095896
Energy: 0.5926485025457809
Energy: 0.5557426981100404
Energy: 0.5750984607354793
Energy: 0.559002243068364
Energy: 0.5750984607361722
Energy: 0.5545608167674615
Energy: 0.5751856865854048
Energy: 0.5450363945364526
Energy: 0.5751856865840191
Energy: 0.5453172102022007
Energy: 0.5535242015074908
Energy: 0.5543497297927806
Energy: 0.5535242015081837

minimum gb energy = 0.5448432089734971 eV
minimum distance =  2.53606061850706 Angstroms
sigma value = 25


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

Energy: 0.6339404359994902
Energy: 0.6253240405042643
Energy: 0.6240171489180304
Energy: 0.5699719435042045
Energy: 0.5793439746371759
Energy: 0.6082525775519134
Energy: 0.5786243072412466
Energy: 0.6082525775519134
Energy: 0.6237969048389359
Energy: 0.6240492078300129
Energy: 0.6248467591353436
Energy: 0.6240492078308185
Energy: 0.5770115888105254
Energy: 0.6031563886114719
Energy: 0.5787752580152729
Energy: 0.6031563886114719
Energy: 0.5783956144765136
Energy: 0.6027294446658042
Energy: 0.5788639168128215
Energy: 0.6027294446649988
Energy: 0.577331858541229
Energy: 0.6333574614519579
Energy: 0.5804342507506711
Energy: 0.6333574614519579
Energy: 0.5887416417510742
Energy: 0.6262261601318498
Energy: 0.5869102301574441
Energy: 0.6262261601318498
Energy: 0.5879871108614096
Energy: 0.6105037055790261
Energy: 0.5732400916353498
Energy: 0.6105037055798316
Energy: 0.5882958797324245
Energy: 0.6261653134306646
Energy: 0.5857002168308962
Energy: 0.6261653134306646
Energy: 0.5771547478152818
Energy: 0.6258043347830496
Energy: 0.5792453216984103
Energy: 0.6258043347830496
Energy: 0.5665999881490487
Energy: 0.6027294823868445
Energy: 0.5802033000418794
Energy: 0.6027294823876499
Energy: 0.5664334208998071
Energy: 0.6027393500342462
Energy: 0.5784462048930716
Energy: 0.6027393500342462
Energy: 0.623048793510445
Energy: 0.576701427028955
Energy: 0.5670098661524532
Energy: 0.576701427028955
Energy: 0.5788467050428032
Energy: 0.6032471494542457
Energy: 0.5858134728567703
Energy: 0.6032471494542457
Energy: 0.5774943626228022
Energy: 0.6234960787219541
Energy: 0.6251204189263919
Energy: 0.6234960787227595
Energy: 0.5756499677453498
Energy: 0.577294963736461
Energy: 0.5768287067751597
Energy: 0.577294963736461
Energy: 0.5786524366142072
Energy: 0.6028825984863728
Energy: 0.5782355382238293
Energy: 0.6028825984863728
Energy: 0.5796791241687669
Energy: 0.6026655726846813
Energy: 0.5775373750568698
Energy: 0.6026655726846813
Energy: 0.5875243659775795
Energy: 0.6274985119090685
Energy: 0.5769506106242821
Energy: 0.6274985119082631
Energy: 0.5734155462609164
Energy: 0.6256060202961383
Energy: 0.58929228978257
Energy: 0.6256060202961383
Energy: 0.5856025745471334
Energy: 0.6274157198127227
Energy: 0.5879352666864623
Energy: 0.6274157198127227
Energy: 0.5854922597041123
Energy: 0.6263374923922072
Energy: 0.5787532130340282
Energy: 0.6263374923922072
Energy: 0.5807857955870265
Energy: 0.6030968660227748
Energy: 0.5665096948737108
Energy: 0.6030968660227748
Energy: 0.5789308955191346
Energy: 0.6031819610568655
Energy: 0.5665279240651107
Energy: 0.6031819610560601
Energy: 0.566826402360141
Energy: 0.5766209648505163
Energy: 0.5766172313947185
Energy: 0.5766209648505163

minimum gb energy = 0.5664334208998071 eV
minimum distance =  2.54167835930614 Angstroms
sigma value = 9


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

Energy: 0.6865809992483126
Energy: 0.666230961121449
Energy: 0.6654450701417803
Energy: 0.6252452976661197
Energy: 0.6063403140723126
Energy: 0.6427603199255567
Energy: 0.6110862939537827
Energy: 0.642760319924596
Energy: 0.6650726442785587
Energy: 0.6644495111343912
Energy: 0.6209975189795793
Energy: 0.6644495111343912
Energy: 0.601986877800192
Energy: 0.6614213044461793
Energy: 0.6107689839727944
Energy: 0.6614213044461793
Energy: 0.5987081934111123
Energy: 0.6449387822364802
Energy: 0.6111105598982655
Energy: 0.6449387822364802
Energy: 0.6022953843478733
Energy: 0.6869491112236817
Energy: 0.6119630782812645
Energy: 0.6869491112227211
Energy: 0.6033386927148436
Energy: 0.6626453335694665
Energy: 0.6109107301333485
Energy: 0.6626453335694665
Energy: 0.6328241517790533
Energy: 0.6432139096380344
Energy: 0.6434161779483465
Energy: 0.6432139096380344
Energy: 0.6310796732258405
Energy: 0.685578001973724
Energy: 0.6162744484560823
Energy: 0.6855780019727631
Energy: 0.5948893816094708
Energy: 0.6574491191189777
Energy: 0.6161281247342038
Energy: 0.6574491191199385
Energy: 0.5843488253897965
Energy: 0.5845732887332163
Energy: 0.5967711486432522
Energy: 0.5845732887332163
Energy: 0.594580340733751
Energy: 0.5846047651481435
Energy: 0.5963950447050885
Energy: 0.5846047651481435
Energy: 0.6913972511634953
Energy: 0.7094388228388708
Energy: 0.6209535194268438
Energy: 0.7094388228388708
Energy: 0.6329865073067393
Energy: 0.6200255612901996
Energy: 0.6215170398444493
Energy: 0.6200255612892388
Energy: 0.5986628917040165
Energy: 0.6240737532455087
Energy: 0.61480531916166
Energy: 0.6240737532464694
Energy: 0.6071997431523379
Energy: 0.6208368503318001
Energy: 0.6102147179969951
Energy: 0.6208368503318001
Energy: 0.6038556260964262
Energy: 0.6835920328681829
Energy: 0.6105626397684176
Energy: 0.683592032867222
Energy: 0.6038073518135646
Energy: 0.6839107850341108
Energy: 0.6114027532767476
Energy: 0.6839107850341108
Energy: 0.6074658332415265
Energy: 0.6427540414611043
Energy: 0.616338925180929
Energy: 0.6427540414601435
Energy: 0.6066705216572159
Energy: 0.6427741946155889
Energy: 0.6163776796456553
Energy: 0.6427741946146283
Energy: 0.6170671621940099
Energy: 0.6059801636180624
Energy: 0.6579319411770358
Energy: 0.6059801636190232

minimum gb energy = 0.5843488253897965 eV
minimum distance =  2.55457930595216 Angstroms
sigma value = 25


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

Energy: 0.7027571737646696
Energy: 0.6752054489154086
Energy: 0.6746501659195273
Energy: 0.5944007536184025
Energy: 0.6025468496143879
Energy: 0.6247568396777704
Energy: 0.6032012255399793
Energy: 0.6247568396777704
Energy: 0.6737057692436152
Energy: 0.6738074626800628
Energy: 0.589238135646958
Energy: 0.6738074626812509
Energy: 0.591628029578607
Energy: 0.6261165187853148
Energy: 0.6037342412272931
Energy: 0.6261165187853148
Energy: 0.600717629805502
Energy: 0.6567164613595113
Energy: 0.603948594631324
Energy: 0.6567164613595113
Energy: 0.5905441156109132
Energy: 0.6568236209217224
Energy: 0.6028770331905254
Energy: 0.6568236209217224
Energy: 0.5881915591051523
Energy: 0.6566724729885731
Energy: 0.603209675952861
Energy: 0.6566724729885731
Energy: 0.5882293684471734
Energy: 0.6560094436065141
Energy: 0.60335362426369
Energy: 0.6560094436065141
Energy: 0.6730250990905684
Energy: 0.5906795063444926
Energy: 0.5878585486909108
Energy: 0.5906795063433044
Energy: 0.6039194752309115
Energy: 0.5907646129364318
Energy: 0.5885046423559473
Energy: 0.5907646129364318
Energy: 0.5893335694427634
Energy: 0.6736678024822308
Energy: 0.6771742917340331
Energy: 0.6736678024822308
Energy: 0.5916849045194984
Energy: 0.6259449592772867
Energy: 0.5904447705833736
Energy: 0.6259449592760985
Energy: 0.6025884514261571
Energy: 0.6565183691214959
Energy: 0.6003446385659377
Energy: 0.656518369122684
Energy: 0.6033318729324352
Energy: 0.6559175824895894
Energy: 0.5915439966557061
Energy: 0.6559175824895894
Energy: 0.6023481286775592
Energy: 0.6558483058453912
Energy: 0.5882322132784079
Energy: 0.6558483058453912
Energy: 0.6026544328661744
Energy: 0.657338433610659
Energy: 0.5888939334806363
Energy: 0.657338433610659
Energy: 0.5909112277170906
Energy: 0.5905167731816464
Energy: 0.5919175208811319
Energy: 0.5905167731816464

minimum gb energy = 0.5878585486909108 eV
minimum distance =  2.62806947723403 Angstroms
sigma value = 17


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

Energy: 1.0038536316110787
Energy: 0.7475884016005564
Energy: 0.7383069392822109
Energy: 0.6918332481393673
Energy: 0.6207375329864514
Energy: 0.6332111823458937
Energy: 0.6381236718001275
Energy: 0.6332111823472396
Energy: 0.6468183549180095
Energy: 0.6459153013988953
Energy: 0.6743173207971681
Energy: 0.6459153013988953
Energy: 0.6376290301889128
Energy: 0.6576604349918813
Energy: 0.6374425639134272
Energy: 0.6576604349918813
Energy: 0.6370631709615977
Energy: 0.6861188345290571
Energy: 0.599099200869056
Energy: 0.6861188345290571
Energy: 0.6383753389756845
Energy: 0.6851206209083296
Energy: 0.6371366184314311
Energy: 0.6851206209083296
Energy: 0.6738465440161394
Energy: 0.6368800248676204
Energy: 0.6472781241842596
Energy: 0.6368800248689664
Energy: 0.6793187177206067
Energy: 0.6374326388545334
Energy: 0.6179215863813853
Energy: 0.6374326388545334
Energy: 0.7420891672160745
Energy: 0.7388711887156
Energy: 0.6741970136616737
Energy: 0.7388711887142542
Energy: 0.6883977430427869
Energy: 0.6685143996519057
Energy: 0.6385827649948123
Energy: 0.6685143996519057
Energy: 0.6377830117579945
Energy: 0.6308235091609533
Energy: 0.6084538403004479
Energy: 0.6308235091609533
Energy: 0.6765630993320146
Energy: 0.6293158340763606
Energy: 0.617617723485774
Energy: 0.6293158340763606
Energy: 0.6743842194250489
Energy: 0.6294839199909115
Energy: 0.6292062490883028
Energy: 0.6294839199909115
Energy: 0.6759034431918597
Energy: 0.6295835697033983
Energy: 0.6090680861130626
Energy: 0.6295835697027253
Energy: 0.6900298442557344
Energy: 0.6745301314691934
Energy: 0.6733993765738022
Energy: 0.6745301314691934
Energy: 0.6378395431980421
Energy: 0.6752158377107875
Energy: 0.6732497872621273
Energy: 0.6752158377121333
Energy: 0.6743412470397956
Energy: 0.6378734872805483
Energy: 0.6090145276313967
Energy: 0.6378734872812212
Energy: 0.674444810928193
Energy: 0.6379384338649292
Energy: 0.6458979069952224
Energy: 0.6379384338649292
Energy: 0.6396605616235047
Energy: 0.6865265522430857
Energy: 0.6377735154303301
Energy: 0.6865265522424128
Energy: 0.6572486753122553
Energy: 0.685992345415004
Energy: 0.6373256197081993
Energy: 0.6859923454156768
Energy: 0.6409577738474905
Energy: 0.6789481688360046
Energy: 0.6753054450389498
Energy: 0.6789481688366776
Energy: 0.6459924469650855
Energy: 0.6458624348342193
Energy: 0.6731487466266708
Energy: 0.6458624348348924
Energy: 0.6382768361532236
Energy: 0.6667172310608175
Energy: 0.6510820106019044
Energy: 0.6667172310601446
Energy: 0.6740156721312919
Energy: 0.739247713865123
Energy: 0.736861990425298
Energy: 0.7392477138644501
Energy: 0.6193622875678718
Energy: 0.6292601215459269
Energy: 0.6754452441253208
Energy: 0.6292601215465998
Energy: 0.6180417908354371
Energy: 0.629390964905185
Energy: 0.6364757684815393
Energy: 0.629390964905858
Energy: 0.609201836175289
Energy: 0.610018902616279
Energy: 0.6749882254844517
Energy: 0.610018902616952
Energy: 0.6115219291349031
Energy: 0.6295152118172402
Energy: 0.6736338386541388
Energy: 0.6295152118172402
Energy: 0.6208241363683565
Energy: 0.6294489474283393
Energy: 0.6740773315774025
Energy: 0.6294489474276662
Energy: 0.6732377040110419
Energy: 0.7387933313149335
Energy: 0.7376143433811603
Energy: 0.7387933313048395

minimum gb energy = 0.599099200869056 eV
minimum distance =  2.55644851216184 Angstroms
sigma value = 53


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

Energy: 0.8858220509180883
Energy: 0.6643484511476897
Energy: 0.6655188114746745
Energy: 0.562431904367218
Energy: 0.6883660534040495
Energy: 0.5853757819944957
Energy: 0.6893223728354422
Energy: 0.5853757819944957
Energy: 0.6643079844271984
Energy: 0.6644417014585579
Energy: 0.7181247870841437
Energy: 0.6644417014585579
Energy: 0.6881573116710357
Energy: 0.5862406471991949
Energy: 0.6876121424015645
Energy: 0.5862406472007442
Energy: 0.6984298773871949
Energy: 0.5855123359907554
Energy: 0.5526371390732656
Energy: 0.5855123359907554
Energy: 0.6870984030405137
Energy: 0.5866879592602714
Energy: 0.5530097866668859
Energy: 0.5866879592602714
Energy: 0.8163864933419993
Energy: 0.6639687842858562
Energy: 0.6632496996880456
Energy: 0.6639687842858562
Energy: 0.8167401247018826
Energy: 0.5865723272673292
Energy: 0.6872158928001417
Energy: 0.5865723272673292
Energy: 0.6647431846466603
Energy: 0.6647189974344163
Energy: 0.7181707162719514
Energy: 0.6647189974344163
Energy: 0.6871857714960294
Energy: 0.5859464269821107
Energy: 0.6871498788721381
Energy: 0.5859464269821107
Energy: 0.7200114872154469
Energy: 0.5865891315889549
Energy: 0.5530993801521515
Energy: 0.5865891315889549
Energy: 0.6895560343632655
Energy: 0.5859576343017936
Energy: 0.5550573226312147
Energy: 0.5859576343017936
Energy: 0.8168252751069391
Energy: 0.5866120973032414
Energy: 0.6868029026222804
Energy: 0.5866120973032414

minimum gb energy = 0.5526371390732656 eV
minimum distance =  2.61405412773712 Angstroms
sigma value = 9


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

Energy: 0.8468963188437173
Energy: 0.765020524306075
Energy: 0.765404213628128
Energy: 0.7279359953604199
Energy: 0.622956188172922
Energy: 0.6217666114966941
Energy: 0.741376150350888
Energy: 0.6217666114966941
Energy: 0.628900600021326
Energy: 0.6336326561676585
Energy: 0.7849759191268137
Energy: 0.6336326561676585
Energy: 0.6259499326333529
Energy: 0.6219870384844036
Energy: 0.7713683609240658
Energy: 0.6219870384844036
Energy: 0.6267370890550948
Energy: 0.6219592516062444
Energy: 0.7228043839326395
Energy: 0.6219592516062444
Energy: 0.6500435055388709
Energy: 0.6217176896681852
Energy: 0.7218032904414513
Energy: 0.6217176896681852
Energy: 0.8572100622366579
Energy: 0.7705923994237355
Energy: 0.769568878184739
Energy: 0.7705923994260291
Energy: 0.7756486677061123
Energy: 0.6908172358096315
Energy: 0.7641856436542089
Energy: 0.6908172358102048
Energy: 0.662678540657806
Energy: 0.7541645869631998
Energy: 0.6686624405037244
Energy: 0.7541645869626263
Energy: 0.6137928567820291
Energy: 0.6688547465332867
Energy: 0.6891647839247657
Energy: 0.6688547465327134
Energy: 0.6663991328117501
Energy: 0.6762034071824927
Energy: 0.7548305313456425
Energy: 0.6762034071830662
Energy: 0.678819285385472
Energy: 0.6781256199484325
Energy: 0.8484582687480073
Energy: 0.6781256199490059
Energy: 0.7337326880201287
Energy: 0.6862772504830028
Energy: 0.6738069443721801
Energy: 0.6862772504830028
Energy: 0.7549611459170901
Energy: 0.6696301177108076
Energy: 0.6816439676062357
Energy: 0.6696301177102343
Energy: 0.7652265053801021
Energy: 0.6758602211451641
Energy: 0.6325143013861931
Energy: 0.6758602211457375
Energy: 0.7227128991663606
Energy: 0.6762877657376082
Energy: 0.6330144205848215
Energy: 0.6762877657381816
Energy: 0.6887833700272271
Energy: 0.6756682193522702
Energy: 0.6712715457072317
Energy: 0.6756682193522702
Energy: 0.7647849889601352
Energy: 0.7651501602136909
Energy: 0.8472234132957062
Energy: 0.7651501602108239
Energy: 0.7574182352343553
Energy: 0.6222033555132559
Energy: 0.6608460276788884
Energy: 0.6222033555132559
Energy: 0.7847149931999257
Energy: 0.6370209828270629
Energy: 0.6210999354314687
Energy: 0.6370209828276363
Energy: 0.7719937100082087
Energy: 0.6226990917527834
Energy: 0.624133839390017
Energy: 0.6226990917527834
Energy: 0.7220382775533907
Energy: 0.621792865514748
Energy: 0.6253360215004351
Energy: 0.6217928655141746
Energy: 0.7224723243894187
Energy: 0.6218596115748456
Energy: 0.6487128290086378
Energy: 0.6218596115759923
Energy: 0.7686942516132064
Energy: 0.6614865923796548
Energy: 0.7876083004883057
Energy: 0.6614865923802282
Energy: 0.766526166240917
Energy: 0.6917486185173732
Energy: 0.7333127608401216
Energy: 0.6917486185162526
Energy: 0.6698150996689521
Energy: 0.6882666714206901
Energy: 0.6658862180840038
Energy: 0.6882666714206901
Energy: 0.6889911554783195
Energy: 0.6687125536174819
Energy: 0.6133531055200352
Energy: 0.6687125536174819
Energy: 0.7447997478873812
Energy: 0.6834461712602243
Energy: 0.6656655939363063
Energy: 0.6834461712602243
Energy: 0.8474231222488591
Energy: 0.6798457941322799
Energy: 0.6898172308811062
Energy: 0.6798457941328532
Energy: 0.6912922396283849
Energy: 0.6857201093504911
Energy: 0.7757850058243865
Energy: 0.6857201093499177
Energy: 0.6825586394670327
Energy: 0.6780476719883929
Energy: 0.7864614183315801
Energy: 0.6780476719878196
Energy: 0.6383845442323787
Energy: 0.6855251534877183
Energy: 0.766889491315711
Energy: 0.6855251534871449
Energy: 0.632139677546866
Energy: 0.6764232387367614
Energy: 0.7234155038414103
Energy: 0.6764232387367614
Energy: 0.6700031766385038
Energy: 0.6758002471284615
Energy: 0.6470792954006815
Energy: 0.6758002471284615
Energy: 0.8479291117374361
Energy: 0.7650212591990376
Energy: 0.7649094994153413
Energy: 0.7650212591869964

minimum gb energy = 0.6133531055200352 eV
minimum distance =  2.54127470478759 Angstroms
sigma value = 73


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

Energy: 0.8877613434034229
Energy: 0.7225398954152232
Energy: 0.7371901667069877
Energy: 0.6690267783017797
Energy: 0.6350518588022184
Energy: 0.6360117575234392
Energy: 0.6707628695736316
Energy: 0.6360117575225295
Energy: 0.6314304920444456
Energy: 0.6335810103603374
Energy: 0.748932032833574
Energy: 0.6335810103603374
Energy: 0.6309491904140543
Energy: 0.6311776246875055
Energy: 0.6786523873748012
Energy: 0.6311776246884152
Energy: 0.6402273822955455
Energy: 0.6373760049501489
Energy: 0.7652481453931864
Energy: 0.6373760049510586
Energy: 0.6539110177962786
Energy: 0.6381461573603722
Energy: 0.7682011784516222
Energy: 0.6381461573603722
Energy: 0.6694342187475254
Energy: 0.771607668859144
Energy: 0.7609385420567855
Energy: 0.771607668859144
Energy: 0.6784320564246268
Energy: 0.690441760084759
Energy: 0.6154654175459321
Energy: 0.690441760084759
Energy: 0.6568534838627579
Energy: 0.7415471756769249
Energy: 0.7529173286558781
Energy: 0.7415471756769249
Energy: 0.6600304744534697
Energy: 0.696028960445236
Energy: 0.6222959100640373
Energy: 0.6960289604443262
Energy: 0.6783081996056223
Energy: 0.6350467095134095
Energy: 0.6137873410623486
Energy: 0.6350467095134095
Energy: 0.6594456323590628
Energy: 0.6203837602845034
Energy: 0.7923724021286715
Energy: 0.6203837602845034
Energy: 0.7216150237955983
Energy: 0.6639535070192957
Energy: 0.6340639319764433
Energy: 0.6639535070192957
Energy: 0.7512956247928098
Energy: 0.6862894450576521
Energy: 0.6690348699273808
Energy: 0.6862894450567423
Energy: 0.6661001708612152
Energy: 0.6765769980250455
Energy: 0.630887075617939
Energy: 0.6765769980250455
Energy: 0.7653898776406228
Energy: 0.6715303360546032
Energy: 0.6722734734064119
Energy: 0.6715303360555128
Energy: 0.6699034483227668
Energy: 0.6728823822008267
Energy: 0.683292764167208
Energy: 0.6728823822017364
Energy: 0.7412433067987817
Energy: 0.7323790968719559
Energy: 0.7790893750309107
Energy: 0.7323790968719559
Energy: 0.6340925669287725
Energy: 0.6674444004314872
Energy: 0.6851617430779064
Energy: 0.6674444004314872
Energy: 0.7139519117840623
Energy: 0.6647197534439797
Energy: 0.6683459083212049
Energy: 0.6647197534430701
Energy: 0.6338176832067041
Energy: 0.6888835789683279
Energy: 0.6617117331780552
Energy: 0.6888835789683279
Energy: 0.8260761161598013
Energy: 0.6650468079130711
Energy: 0.7354216946588829
Energy: 0.6650468079130711

minimum gb energy = 0.6137873410623486 eV
minimum distance =  2.54387204041795 Angstroms
sigma value = 7


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

Energy: 1.021960590812747
Energy: 0.7207506836130169
Energy: 0.7201604493853773
Energy: 0.6314252569597959
Energy: 0.6268929991347227
Energy: 0.6251327729467572
Energy: 0.6458158496018745
Energy: 0.6251327729448274
Energy: 0.6255760974645557
Energy: 0.6260264662940064
Energy: 0.6903336476662467
Energy: 0.6260264662927199
Energy: 0.6254964259653749
Energy: 0.6255385665862506
Energy: 0.6269252036917903
Energy: 0.6255385665862506
Energy: 0.6283047275859611
Energy: 0.6343026318020161
Energy: 0.7543818323216536
Energy: 0.6343026318013729
Energy: 0.6285884436354561
Energy: 0.6268648909165149
Energy: 0.7553942606456233
Energy: 0.6268648909158716
Energy: 0.7688681578073259
Energy: 0.6257588196109115
Energy: 0.6251957944466132
Energy: 0.6257588196089817
Energy: 0.6237642374363332
Energy: 0.6271787233052462
Energy: 0.652777994662216
Energy: 0.6271787233071467
Energy: 0.6246727739657466
Energy: 0.625643171664784
Energy: 0.6296461592965727
Energy: 0.6256431716641407
Energy: 0.7500195383079776
Energy: 0.6459653020191028
Energy: 0.6296510964336895
Energy: 0.6459653020191028
Energy: 0.6261937072099834
Energy: 0.6588181793311307
Energy: 0.6230397819894711
Energy: 0.6588181793311307
Energy: 0.7225114739637029
Energy: 0.7048961731822798
Energy: 0.7680394097501373
Energy: 0.7048961731816366
Energy: 0.6965061434309819
Energy: 0.6562663281519957
Energy: 0.6316611663104239
Energy: 0.6562663281507093
Energy: 0.6946019771156052
Energy: 0.6563960506328109
Energy: 0.631375873508176
Energy: 0.6563960506321677
Energy: 0.6361959394984016
Energy: 0.6564087422862773
Energy: 0.6350402402128017
Energy: 0.6564087422862773
Energy: 0.7859311438101705
Energy: 0.7045702876364857
Energy: 0.7229856655789404
Energy: 0.7045702876351991
Energy: 0.6695535522725922
Energy: 0.6589948708021279
Energy: 0.7057970299206362
Energy: 0.6589948708027712
Energy: 0.6298703889306361
Energy: 0.6988601645150492
Energy: 0.6895685860733642
Energy: 0.6988601645144059
Energy: 0.6293799833061492
Energy: 0.6257142226659944
Energy: 0.6253613185700744
Energy: 0.625714222665351
Energy: 0.6533346219592759
Energy: 0.6265863878809576
Energy: 0.6313251530836256
Energy: 0.6265863878803142
Energy: 0.6254243141008331
Energy: 0.626093006233228
Energy: 0.7524168247999571
Energy: 0.6260930062319415
Energy: 0.7721315768417095
Energy: 0.6329906585217127
Energy: 0.629807642733359
Energy: 0.6329906585210693
Energy: 0.7715794661768918
Energy: 0.6342525316758809
Energy: 0.6276227816673574
Energy: 0.6342525316765243
Energy: 0.6264133726542099
Energy: 0.6248246736022768
Energy: 0.6255157269750123
Energy: 0.6248246736003469
Energy: 0.7508486978772314
Energy: 0.6261627757600366
Energy: 0.626119528861956
Energy: 0.62616277576068
Energy: 0.6905619431324246
Energy: 0.6258988055597302
Energy: 0.6270043035509437
Energy: 0.6258988055584437
Energy: 0.7203239799785633
Energy: 0.7203794601112131
Energy: 0.8847809208655188
Energy: 0.7203794601112131
Energy: 0.628507452264984
Energy: 0.6571875753488021
Energy: 0.6273176161568771
Energy: 0.657187575350732
Energy: 0.6909275779762762
Energy: 0.6575672511028077
Energy: 0.6262780352608471
Energy: 0.6575672511034509
Energy: 0.6270078046532891
Energy: 0.6316438347439883
Energy: 0.6308280415668084
Energy: 0.631643834743345
Energy: 0.7866644600846516
Energy: 0.6566071702290964
Energy: 0.7261816586665045
Energy: 0.6566071702290964

minimum gb energy = 0.6230397819894711 eV
minimum distance =  2.53974219220382 Angstroms
sigma value = 29


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

Energy: 0.5605051021973606
Energy: 0.691084223452861
Energy: 0.6636105762141321
Energy: 0.5608247743730574
Energy: 0.6632895858929576
Energy: 0.6184846926668918
Energy: 0.5697280104398348
Energy: 0.6184846926668918
Energy: 0.6650462960124357
Energy: 0.597227348623142
Energy: 0.566417046087116
Energy: 0.5972273486229178
Energy: 0.5606997478773277
Energy: 0.569348179208685
Energy: 0.571502039477735
Energy: 0.5693481792082618
Energy: 0.6633641806885151
Energy: 0.5694369822433665
Energy: 0.5605779488991063
Energy: 0.5694369822435658
Energy: 0.5704264098811738
Energy: 0.5954439048953277
Energy: 0.5605711548794645
Energy: 0.5954439048953277
Energy: 0.5660402474320236
Energy: 0.5974809153461651
Energy: 0.6646961502688593
Energy: 0.5974809153463893
Energy: 0.5707705565462896
Energy: 0.5697426289698344
Energy: 0.5608745983865965
Energy: 0.5697426289698344
Energy: 0.5608233018137466
Energy: 0.5696512836931495
Energy: 0.5704171735177966
Energy: 0.5696512836929254

minimum gb energy = 0.5605051021973606 eV
minimum distance =  2.5813115120555 Angstroms
sigma value = 5


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

Energy: 0.7745856324477618
Energy: 0.695480397474171
Energy: 0.6980892403007719
Energy: 0.5830863629520006
Energy: 0.6279425920415294
Energy: 0.583960783565051
Energy: 0.6425669589597585
Energy: 0.583960783565051
Energy: 0.6434901556685765
Energy: 0.5878796052561678
Energy: 0.6852449973867633
Energy: 0.5878796052549524
Energy: 0.5907646986685057
Energy: 0.5837840401353612
Energy: 0.6557857196086481
Energy: 0.5837840401347536
Energy: 0.6171040970553283
Energy: 0.6086833002812445
Energy: 0.6896290862216763
Energy: 0.6086833002812445
Energy: 0.6086857618322975
Energy: 0.6083901889847462
Energy: 0.6899310063420783
Energy: 0.6083901889847462
Energy: 0.5845685651348069
Energy: 0.5848396329616217
Energy: 0.6553662708428606
Energy: 0.584839632961014
Energy: 0.5842279567621831
Energy: 0.5843808689969003
Energy: 0.7772539497262556
Energy: 0.5843808689969003
Energy: 0.6142870877423333
Energy: 0.6678739018975904
Energy: 0.6649179437379236
Energy: 0.6678739018975904
Energy: 0.6819864576279083
Energy: 0.5788104940254911
Energy: 0.5902412281824777
Energy: 0.5788104940254911
Energy: 0.613869303509367
Energy: 0.5787365567150393
Energy: 0.5812494714683322
Energy: 0.5787365567156469
Energy: 0.7842569504819153
Energy: 0.5788533880945689
Energy: 0.5787913508219655
Energy: 0.5788533880945689
Energy: 0.7794920435998028
Energy: 0.6676697906602228
Energy: 0.5785196072858848
Energy: 0.6676697906602228
Energy: 0.6239301744708045
Energy: 0.6669613891725308
Energy: 0.6869307317421247
Energy: 0.6669613891725308
Energy: 0.5863124644215411
Energy: 0.6053867815463343
Energy: 0.6902638763745609
Energy: 0.605386781546942
Energy: 0.5884484213325766
Energy: 0.5845303806988099
Energy: 0.6279306742292318
Energy: 0.5845303806988099
Energy: 0.6969979945655254
Energy: 0.5847327937864907
Energy: 0.5924336344969122
Energy: 0.5847327937858829
Energy: 0.6430755544014654
Energy: 0.5838605285238835
Energy: 0.5896020215054933
Energy: 0.5838605285238835
Energy: 0.6831798673770938
Energy: 0.6187323699239786
Energy: 0.6419043970937512
Energy: 0.618732369923371
Energy: 0.6562511827171222
Energy: 0.5843682864920797
Energy: 0.588800468162415
Energy: 0.5843682864926873
Energy: 0.6902729618395607
Energy: 0.6121560770953012
Energy: 0.6544840094545616
Energy: 0.6121560770953012
Energy: 0.6859478116169089
Energy: 0.5842699948811586
Energy: 0.6099886257697182
Energy: 0.5842699948805509
Energy: 0.6557298730152509
Energy: 0.5841078618468577
Energy: 0.5858685826432969
Energy: 0.5841078618468577
Energy: 0.7806413169632368
Energy: 0.5843081163102835
Energy: 0.5843714295923278
Energy: 0.5843081163102835
Energy: 0.6650024899936556
Energy: 0.6675234422394805
Energy: 0.6141476350162408
Energy: 0.6675234422388727
Energy: 0.5919223720519444
Energy: 0.5793265426197464
Energy: 0.681845994211216
Energy: 0.5793265426197464
Energy: 0.5937154301707074
Energy: 0.5786119100916451
Energy: 0.6139600732454248
Energy: 0.5786119100910376
Energy: 0.5793735196485256
Energy: 0.5810885166123285
Energy: 0.5906776687529958
Energy: 0.5810885166123285
Energy: 0.5785146554406466
Energy: 0.5783694394191119
Energy: 0.7765666083480978
Energy: 0.5783694394191119
Energy: 0.6908690251282867
Energy: 0.6668437826278383
Energy: 0.6144906564063657
Energy: 0.6668437826278383
Energy: 0.6911060893464646
Energy: 0.6038673070824134
Energy: 0.5881444161504646
Energy: 0.6038673070818059
Energy: 0.6556433994515735
Energy: 0.5842794861671452
Energy: 0.5858796619167305
Energy: 0.5842794861671452
Energy: 0.5910691242701842
Energy: 0.5841189894139032
Energy: 0.6959178534977944
Energy: 0.5841189894060312

minimum gb energy = 0.5783694394191119 eV
minimum distance =  2.52455313009776 Angstroms
sigma value = 1


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

Energy: 0.9074425477709123
Energy: 0.6880598932538257
Energy: 0.689129461175454
Energy: 0.5667874532681212
Energy: 0.5626938272699559
Energy: 0.5663824260696478
Energy: 0.6477288194372833
Energy: 0.5663824260696478
Energy: 0.6486393836629736
Energy: 0.6108910789362456
Energy: 0.7033575144379366
Energy: 0.6108910789362456
Energy: 0.6307431800107026
Energy: 0.6579314744012663
Energy: 0.6587419044944923
Energy: 0.6579314744004262
Energy: 0.643972768998263
Energy: 0.5686715216899955
Energy: 0.6280947179385975
Energy: 0.5686715216899955
Energy: 0.568513391582061
Energy: 0.5685859571431093
Energy: 0.6280378899095468
Energy: 0.5685859571431093
Energy: 0.5686809292639599
Energy: 0.5685864080719086
Energy: 0.6588379539742549
Energy: 0.5685864080719086
Energy: 0.5683460844113835
Energy: 0.5689322491599148
Energy: 0.7645900018435662
Energy: 0.5689322491599148
Energy: 0.5628769748423377
Energy: 0.6007851827425809
Energy: 0.6550122200216252
Energy: 0.6007851827425809
Energy: 0.7568521046726305
Energy: 0.6410740326275387
Energy: 0.6079014675298874
Energy: 0.6410740326283788
Energy: 0.5634268382358997
Energy: 0.5504650268053684
Energy: 0.6226142934598297
Energy: 0.5504650268053684
Energy: 0.67614259555242
Energy: 0.5511086291438219
Energy: 0.589733904446349
Energy: 0.5511086291438219
Energy: 0.8252566747622948
Energy: 0.5503586526389604
Energy: 0.5987251112281387
Energy: 0.5503586526381201
Energy: 0.5646791828607927
Energy: 0.5507029992935877
Energy: 0.7590507861571202
Energy: 0.5507029992935877
Energy: 0.6277331718333722
Energy: 0.5918697203925164
Energy: 0.6524638247553919
Energy: 0.5918697203933565
Energy: 0.6270982844627865
Energy: 0.5687222541882585
Energy: 0.6524138879126543
Energy: 0.5687222541874183
Energy: 0.6925888568491362
Energy: 0.5687477747419403
Energy: 0.6281638519501552
Energy: 0.5687477747411
Energy: 0.5985443829582878
Energy: 0.5683781571815504
Energy: 0.6432812292595552
Energy: 0.56837815718071
Energy: 0.5721927660235641
Energy: 0.5708572725313809
Energy: 0.655173747704629
Energy: 0.5708572725313809
Energy: 0.5686170845015752
Energy: 0.5958271979242711
Energy: 0.7610558971335448
Energy: 0.5958271979242711
Energy: 0.6512300893013965
Energy: 0.601085295391247
Energy: 0.6485651782290087
Energy: 0.601085295391247
Energy: 0.763971390678591
Energy: 0.5664443926712788
Energy: 0.5667083775893066
Energy: 0.5664443926712788
Energy: 0.637286684315516
Energy: 0.5665424981503001
Energy: 0.5677142187406484
Energy: 0.5665424981503001
Energy: 0.7626881606589551
Energy: 0.5663054414940785
Energy: 0.5664622980959723
Energy: 0.5663054414991195

minimum gb energy = 0.5503586526381201 eV
minimum distance =  2.51386728798454 Angstroms
sigma value = 17


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

Energy: 0.8708673545735739
Energy: 0.6800487317888093
Energy: 0.6836596017393427
Energy: 0.5567440258253077
Energy: 0.5557491948720573
Energy: 0.5520756654053581
Energy: 0.6234248061553755
Energy: 0.5520756654058775
Energy: 0.6828840955705581
Energy: 0.5521096740310164
Energy: 0.635547931198914
Energy: 0.552109674029978
Energy: 0.711085360715293
Energy: 0.5492414560942221
Energy: 0.6057418327081973
Energy: 0.5492414560947416
Energy: 0.597298196069709
Energy: 0.5488831810574832
Energy: 0.6707988996031726
Energy: 0.5488831810580025
Energy: 0.5493608055495226
Energy: 0.5488807594200718
Energy: 0.6704621276478955
Energy: 0.5488807594200718
Energy: 0.5493112937449576
Energy: 0.5483938429867352
Energy: 0.6052740435199091
Energy: 0.5483938429867352
Energy: 0.5555088770953326
Energy: 0.5488121585868179
Energy: 0.8701169399401736
Energy: 0.5488121585878565
Energy: 0.6756027905376023
Energy: 0.5487859268188063
Energy: 0.6378588048645994
Energy: 0.5487859268188063
Energy: 0.6321802108161626
Energy: 0.5784594740416281
Energy: 0.6032740795462392
Energy: 0.5784594740416281
Energy: 0.6737382347253982
Energy: 0.5526166427939534
Energy: 0.5546540604325269
Energy: 0.5526166427944725
Energy: 0.6700031768083138
Energy: 0.5705630186279244
Energy: 0.6142455365553788
Energy: 0.5705630186274051
Energy: 0.7004744877587082
Energy: 0.5523770185807892
Energy: 0.5530369438363493
Energy: 0.5523770185818279
Energy: 0.6420694348743312
Energy: 0.5522552171402234
Energy: 0.5541746121426847
Energy: 0.5522552171402234
Energy: 0.7165297567742069
Energy: 0.5524173867152616
Energy: 0.5574562170808256
Energy: 0.5524173867163003
Energy: 0.7075279415779439
Energy: 0.5685188814275395
Energy: 0.5571345021411857
Energy: 0.5685188814275395
Energy: 0.5536975376410955
Energy: 0.55298310972679
Energy: 0.790148185293852
Energy: 0.55298310972679
Energy: 0.5549125765099906
Energy: 0.5524808868574071
Energy: 0.6775829432026164
Energy: 0.5524808868574071
Energy: 0.5525832896239823
Energy: 0.5528413647729414
Energy: 0.6801484378550737
Energy: 0.5528413647729414
Energy: 0.6857845643476829
Energy: 0.5531232220404988
Energy: 0.8708385834336361
Energy: 0.5531232220410182
Energy: 0.6230800728273725
Energy: 0.5520092517460373
Energy: 0.6422348535055826
Energy: 0.5520092517475954
Energy: 0.6380950610729158
Energy: 0.5519445655184786
Energy: 0.6839423477623651
Energy: 0.5519445655189978
Energy: 0.6144893785831178
Energy: 0.5483825233244817
Energy: 0.7164807881161152
Energy: 0.5483825233250009
Energy: 0.7247611608255001
Energy: 0.548900258198439
Energy: 0.5488553196506416
Energy: 0.5489002581989583
Energy: 0.6704619202330254
Energy: 0.5489677834024
Energy: 0.5492912615702776
Energy: 0.5489677834018808
Energy: 0.6045757161330989
Energy: 0.5486459337204629
Energy: 0.5514079411045546
Energy: 0.5486459337204629
Energy: 0.8704135939553314
Energy: 0.5495532670594415
Energy: 0.5547324942777729
Energy: 0.54955326706048
Energy: 0.6363040564915321
Energy: 0.5487237350440864
Energy: 0.668671693729765
Energy: 0.5487237350446057
Energy: 0.6034174661293326
Energy: 0.6515360070452627
Energy: 0.6336707709726038
Energy: 0.6515360070452627
Energy: 0.5556084732795371
Energy: 0.5520612039502232
Energy: 0.6730415996969267
Energy: 0.5520612039497038
Energy: 0.5950031386437059
Energy: 0.5529017511768369
Energy: 0.6695704034815652
Energy: 0.552901751180472
Energy: 0.5525773842259716
Energy: 0.5528805327864468
Energy: 0.6694809006781808
Energy: 0.5528805327848889
Energy: 0.5524879568177008
Energy: 0.5523550956869651
Energy: 0.670804733383164
Energy: 0.5523550956874843
Energy: 0.5598638167546212
Energy: 0.5524052427450408
Energy: 0.7115052470385124
Energy: 0.5524052427450408
Energy: 0.6754548055088825
Energy: 0.5708796944311777
Energy: 0.7072755803630879
Energy: 0.570879694431697
Energy: 0.7897423600676033
Energy: 0.5530264268042759
Energy: 0.5544078697695621
Energy: 0.5530264268037567
Energy: 0.6749914424138215
Energy: 0.5526378564670356
Energy: 0.5528747958872153
Energy: 0.5526378564665162
Energy: 0.6819166380910076
Energy: 0.5822476849328941
Energy: 0.5708827425198482
Energy: 0.5822476849328941

minimum gb energy = 0.5483825233244817 eV
minimum distance =  2.52928770485383 Angstroms
sigma value = 89


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

Energy: 0.8964610726774761
Energy: 0.6419086243017593
Energy: 0.6417590694904046
Energy: 0.5264837317563664
Energy: 0.6221393578196687
Energy: 0.6222637737909249
Energy: 0.6044406600501195
Energy: 0.6222637737909249
Energy: 0.49110706453346564
Energy: 0.5370846079265675
Energy: 0.620429973865332
Energy: 0.5370846079265675
Energy: 0.4936574432905544
Energy: 0.49583943503770345
Energy: 0.6055438919492901
Energy: 0.49583943503770345
Energy: 0.4956969844726397
Energy: 0.6178378043343432
Energy: 0.6197795503533634
Energy: 0.6178378043343432
Energy: 0.49631029113151065
Energy: 0.6182617598219511
Energy: 0.6187583875938867
Energy: 0.6182617598219511
Energy: 0.4959796021691634
Energy: 0.49437805192668116
Energy: 0.6240068988106988
Energy: 0.49437805192668116
Energy: 0.49532500334972585
Energy: 0.49483795330367975
Energy: 0.710456196926424
Energy: 0.49483795330367975
Energy: 0.6048033391842377
Energy: 0.6179241674252305
Energy: 0.7105912946807796
Energy: 0.6179241674252305
Energy: 0.6210659901034573
Energy: 0.5360617634941864
Energy: 0.5483048590965762
Energy: 0.5360617634941864
Energy: 0.6233248819074583
Energy: 0.5356498614337197
Energy: 0.4911249335674849
Energy: 0.5356498614323609
Energy: 0.6181161341005229
Energy: 0.6177165480394288
Energy: 0.4964730502427637
Energy: 0.6177165480394288
Energy: 0.6172170934820477
Energy: 0.49480040582741275
Energy: 0.49464399825970246
Energy: 0.49480040582741275
Energy: 0.6052212908267937
Energy: 0.49436286094881854
Energy: 0.4946340387893641
Energy: 0.49436286094881854
Energy: 0.7103141976649313
Energy: 0.49466567356466173
Energy: 0.4945520298550768
Energy: 0.49466567356466173

minimum gb energy = 0.49110706453346564 eV
minimum distance =  2.55219896100005 Angstroms
sigma value = 13


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

Energy: 0.7973478114711922
Energy: 0.6317792844173599
Energy: 0.6380387122968861
Energy: 0.5031436645197332
Energy: 0.6374761765183947
Energy: 0.4854479372877821
Energy: 0.5415847457821376
Energy: 0.4854479372906296
Energy: 0.6925950403620307
Energy: 0.4851189326416533
Energy: 0.5630596688108495
Energy: 0.4851189326416533
Energy: 0.6329329489663977
Energy: 0.6062053303454562
Energy: 0.538509157040952
Energy: 0.6062053303443171
Energy: 0.542180480960277
Energy: 0.510849581910116
Energy: 0.6629559476902896
Energy: 0.5108495819095464
Energy: 0.5405789364335933
Energy: 0.48523866729094933
Energy: 0.6610105169364643
Energy: 0.4852386672881018
Energy: 0.5574124313890232
Energy: 0.48510706829638495
Energy: 0.6380925998689705
Energy: 0.4851070682958154
Energy: 0.4910886190591699
Energy: 0.4862275643958455
Energy: 0.750216830205715
Energy: 0.48622756439470655
Energy: 0.501048247822308
Energy: 0.49882431160112434
Energy: 0.7503541523349807
Energy: 0.4988243116005548
Energy: 0.4917308866552275
Energy: 0.4855042249951173
Energy: 0.7544511693614718
Energy: 0.48550422499283935
Energy: 0.4893180178972463
Energy: 0.48962302809034514
Energy: 0.7973027310090499
Energy: 0.48962302809148417
Energy: 0.6414998516832329
Energy: 0.4853673716725788
Energy: 0.5396593328383132
Energy: 0.4853673716720093
Energy: 0.6689634344735989
Energy: 0.510016679421835
Energy: 0.640064513364078
Energy: 0.5100166794224046
Energy: 0.6374526414590049
Energy: 0.4859134582710195
Energy: 0.6333432925715046
Energy: 0.48591345827045
Energy: 0.750108590764897
Energy: 0.4861260699376399
Energy: 0.5402497179058158
Energy: 0.4861260699359315
Energy: 0.7497000080921765
Energy: 0.48599097379790396
Energy: 0.4916035427747808
Energy: 0.485990973799043
Energy: 0.6369937411722063
Energy: 0.48574297470022515
Energy: 0.48869054306148374
Energy: 0.48574297470079464
Energy: 0.6847712964806858
Energy: 0.4856955417571335
Energy: 0.49236164397923765
Energy: 0.48569554175770296
Energy: 0.8113795029092065
Energy: 0.48897143489334804
Energy: 0.5364765919457669
Energy: 0.488971434892209
Energy: 0.6416871927198452
Energy: 0.48521604730961343
Energy: 0.5592280423747473
Energy: 0.48521604731132184
Energy: 0.6322323790532182
Energy: 0.485757746446625
Energy: 0.53610847208019
Energy: 0.4857577464471945
Energy: 0.64264716858644
Energy: 0.5089921861799293
Energy: 0.6421421562015095
Energy: 0.5089921861804988
Energy: 0.5409184498301821
Energy: 0.4855833012866376
Energy: 0.6678944719613441
Energy: 0.4855833012866376
Energy: 0.48536394080922973
Energy: 0.4850149636528677
Energy: 0.7508392376632377
Energy: 0.48501496365400676
Energy: 0.5369495796756072
Energy: 0.4859422038796036
Energy: 0.7490695506015309
Energy: 0.4859422038790341
Energy: 0.487710828015334
Energy: 0.48577325115308795
Energy: 0.7490047596746042
Energy: 0.48577325115194897
Energy: 0.48589132558230674
Energy: 0.4853057707255443
Energy: 0.7523314669454925
Energy: 0.48530577072611386
Energy: 0.4854689415712554
Energy: 0.48560851480431827
Energy: 0.6856371481488243
Energy: 0.48560851480431827
Energy: 0.639761986440691
Energy: 0.4855251578148577
Energy: 0.8124311251111516
Energy: 0.48552515781542727
Energy: 0.5588063814825868
Energy: 0.5115689316939864
Energy: 0.6373975551126373
Energy: 0.5115689316917085
Energy: 0.6371688354012629
Energy: 0.513348521956973
Energy: 0.6317022043875761
Energy: 0.513348521956973
Energy: 0.749937559525665
Energy: 0.48581202806184615
Energy: 0.5351599884876557
Energy: 0.48581202806184615
Energy: 0.7497153856166712
Energy: 0.4860775806080228
Energy: 0.4857006504082351
Energy: 0.48607758060574474
Energy: 0.7085789145877619
Energy: 0.48552889451087433
Energy: 0.48609927039653206
Energy: 0.48552889451087433
Energy: 0.8116198455951046
Energy: 0.48571272217866757
Energy: 0.49019891666000215
Energy: 0.48571272217695904

minimum gb energy = 0.4850149636528677 eV
minimum distance =  2.54025272914336 Angstroms
sigma value = 37


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

Energy: 0.7855833724276954
Energy: 0.4562253165786569
Energy: 0.6031557136362422
Energy: 0.47225448157803324
Energy: 0.6575658127143618
Energy: 0.45554613305339625
Energy: 0.5552459703709253
Energy: 0.45554613305339625
Energy: 0.6903057109667798
Energy: 0.45519455083214455
Energy: 0.5557398234697508
Energy: 0.45519455083214455
Energy: 0.6903597378299506
Energy: 0.49642832600951703
Energy: 0.5473370996903677
Energy: 0.4964283260085372
Energy: 0.5649884934888689
Energy: 0.49839448424061644
Energy: 0.6076415173535579
Energy: 0.49839448424061644
Energy: 0.5042848003079471
Energy: 0.45170680855151624
Energy: 0.7552268323146157
Energy: 0.45170680855151624
Energy: 0.5071729031244746
Energy: 0.4516988372310938
Energy: 0.6268600744769026
Energy: 0.4516988372310938
Energy: 0.5097729640897197
Energy: 0.4408147751172496
Energy: 0.803201794648579
Energy: 0.4408147751172496
Energy: 0.4988098144281004
Energy: 0.4411327912643238
Energy: 0.8032787119129543
Energy: 0.441132791263344
Energy: 0.4968709774996825
Energy: 0.4410986162350124
Energy: 0.7431123264097264
Energy: 0.4410986162350124
Energy: 0.49811927915325827
Energy: 0.4981904588294659
Energy: 0.6975681923123035
Energy: 0.4981904588294659
Energy: 0.5904809484521533
Energy: 0.4409463998050169
Energy: 0.627112562589875
Energy: 0.4409463998059967
Energy: 0.5893318078971035
Energy: 0.4406508718178899
Energy: 0.6903518435805108
Energy: 0.4406508718178899
Energy: 0.5899658341275693
Energy: 0.481264316770106
Energy: 0.6901795531394316
Energy: 0.4812643167710858
Energy: 0.6076415173535579
Energy: 0.49188534469878925
Energy: 0.540583332546502
Energy: 0.49188534469878925
Energy: 0.7710353710060707
Energy: 0.4804087360746262
Energy: 0.5030871485220402
Energy: 0.4804087360746262
Energy: 0.6580792446529743
Energy: 0.4553567817861411
Energy: 0.5072051799859473
Energy: 0.4553567817861411
Energy: 0.803201794648579
Energy: 0.45559673031492676
Energy: 0.4657846454125579
Energy: 0.45559673031492676
Energy: 0.8032787119119744
Energy: 0.4557309397646499
Energy: 0.45548489019359745
Energy: 0.4557309397646499
Energy: 0.8048291170582791
Energy: 0.45583643356596326
Energy: 0.45589300245211134
Energy: 0.45583643356596326

minimum gb energy = 0.4406508718178899 eV
minimum distance =  2.54352889098356 Angstroms
sigma value = 25


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

Energy: 0.9243113662239407
Energy: 0.40732453570418437
Energy: 0.5634956199779935
Energy: 0.4138036848776807
Energy: 0.7668084474090914
Energy: 0.40638248738655536
Energy: 0.48585505799472095
Energy: 0.40638248738655536
Energy: 0.8016725983604474
Energy: 0.4059650790369801
Energy: 0.48350827630316284
Energy: 0.40596507903774515
Energy: 0.6601655891430134
Energy: 0.4104501959867771
Energy: 0.48035429551355285
Energy: 0.41045019598601207
Energy: 0.6580707615742272
Energy: 0.5320827248575964
Energy: 0.6608044622466734
Energy: 0.5320827248575964
Energy: 0.6066717070622527
Energy: 0.437708864012501
Energy: 0.6640256288053895
Energy: 0.437708864012501
Energy: 0.6047203027292948
Energy: 0.4041121673322732
Energy: 0.657765026232531
Energy: 0.4041121673322732
Energy: 0.49847468761598446
Energy: 0.40171753366455204
Energy: 0.7905690651997274
Energy: 0.4017175336653171
Energy: 0.512829547194942
Energy: 0.405747046606918
Energy: 0.8464716424572025
Energy: 0.405747046606918
Energy: 0.5040906839973901
Energy: 0.4041114252414412
Energy: 0.7611835557212541
Energy: 0.4041114252406761
Energy: 0.4407822272212126
Energy: 0.40167832565752914
Energy: 0.7897789123486371
Energy: 0.40167832565752914
Energy: 0.4497044757454098
Energy: 0.40396273592098364
Energy: 0.7611975458863306
Energy: 0.4039627359202185
Energy: 0.4419786498293795
Energy: 0.3988129502976849
Energy: 0.882188842958206
Energy: 0.39881295029845
Energy: 0.4486420309780726
Energy: 0.3999053254387813
Energy: 0.7574862102722019
Energy: 0.3999053254387813
Energy: 0.5159501485964201
Energy: 0.3987309762758946
Energy: 0.8038424566803538
Energy: 0.3987309762758946
Energy: 0.5142875469020917
Energy: 0.39923375193093913
Energy: 0.8016076191031272
Energy: 0.3992337519317043
Energy: 0.5828359718237351
Energy: 0.5241001575602987
Energy: 0.8013019792153926
Energy: 0.5241001575610639
Energy: 0.5470085719451137
Energy: 0.4365791096898969
Energy: 0.6605134593184275
Energy: 0.4365791096898969
Energy: 0.6806192243243473
Energy: 0.43717435627358825
Energy: 0.6044292004865139
Energy: 0.43717435627435336
Energy: 0.683160579102616
Energy: 0.5016103480439184
Energy: 0.60749686197278
Energy: 0.5016103480446835
Energy: 0.7907615768687012
Energy: 0.4063776733652271
Energy: 0.4832888657695212
Energy: 0.40637767336446207
Energy: 0.8435037780016709
Energy: 0.40631166630591015
Energy: 0.4503228475830996
Energy: 0.4063116663051451
Energy: 0.8815465614483532
Energy: 0.406522093979895
Energy: 0.4795265164369024
Energy: 0.4065220939791299
Energy: 0.7902856342146701
Energy: 0.4109319472322116
Energy: 0.40748905600593543
Energy: 0.4109319472322116
Energy: 0.8082573945472753
Energy: 0.4061029499193581
Energy: 0.4078828045377643
Energy: 0.4061029499201232
Energy: 0.8001400917309325
Energy: 0.4065043211164934
Energy: 0.40681866968529834
Energy: 0.4065043211157282

minimum gb energy = 0.3987309762758946 eV
minimum distance =  2.55078592331355 Angstroms
sigma value = 41


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

Energy: 0.95592668007472
Energy: 0.3667781655799136
Energy: 0.5305364893311965
Energy: 0.3790010425546639
Energy: 0.8301674503017938
Energy: 0.3662885188147269
Energy: 0.4266141074809483
Energy: 0.3662885188147269
Energy: 0.831060824500117
Energy: 0.36579899807271293
Energy: 0.42919969639137295
Energy: 0.36579899807271293
Energy: 0.7323817996726408
Energy: 0.3664512237781517
Energy: 0.42601698163522655
Energy: 0.3664512237787789
Energy: 0.7578399535319413
Energy: 0.4762618779577642
Energy: 0.5878600579169104
Energy: 0.4762618779577642
Energy: 0.6808646230613855
Energy: 0.4817827430532043
Energy: 0.5842473540837174
Energy: 0.4817827430538316
Energy: 0.6776832480086248
Energy: 0.5809567589153171
Energy: 0.5844802126429598
Energy: 0.5809567589159444
Energy: 0.5852312930110356
Energy: 0.48186457664401067
Energy: 0.6270372558198445
Energy: 0.48186457664463794
Energy: 0.4878927773437783
Energy: 0.4775974746202673
Energy: 0.7563637916739185
Energy: 0.4775974746208946
Energy: 0.48701181426483187
Energy: 0.47640562203623116
Energy: 0.7535917501101453
Energy: 0.47640562203560394
Energy: 0.4275222391198096
Energy: 0.3662396495629058
Energy: 0.8447230753845962
Energy: 0.3662396495629058
Energy: 0.42862870953457216
Energy: 0.3657955209293129
Energy: 0.8980173758890179
Energy: 0.3657955209293129
Energy: 0.4269279498944206
Energy: 0.36672516754393697
Energy: 0.8934629380490944
Energy: 0.36672516754393697
Energy: 0.3666718235743956
Energy: 0.3664199142129867
Energy: 0.7513694217518396
Energy: 0.3664199142129867
Energy: 0.3675208049853072
Energy: 0.3666010208696411
Energy: 0.8285370115805043
Energy: 0.3666010208677593
Energy: 0.3667255849978764
Energy: 0.3668124546480627
Energy: 0.8250369246964753
Energy: 0.36681245464869
Energy: 0.43453502622062395
Energy: 0.36697918513999095
Energy: 0.824958013507005
Energy: 0.3669791851381092
Energy: 0.44410419368603526
Energy: 0.36554667956612846
Energy: 0.827757097927223
Energy: 0.36554667956550113
Energy: 0.42822381748816263
Energy: 0.36615892594523297
Energy: 0.6827657652503445
Energy: 0.3661589259458603
Energy: 0.5853303669753095
Energy: 0.47612620202906597
Energy: 0.6813510152520322
Energy: 0.47612620202843875
Energy: 0.6279527780784137
Energy: 0.4761424998602188
Energy: 0.754369905797935
Energy: 0.4761424998608461
Energy: 0.5861883862284583
Energy: 0.5831751635387153
Energy: 0.6777729999879365
Energy: 0.5831751635393426
Energy: 0.7570915942874078
Energy: 0.5790433544322885
Energy: 0.6792791367223353
Energy: 0.5790433544329158
Energy: 0.590525211493378
Energy: 0.48184554914359035
Energy: 0.5858642498565835
Energy: 0.48184554914359035
Energy: 0.7541393780051608
Energy: 0.47707060611251184
Energy: 0.5217050685691713
Energy: 0.47707060611125734
Energy: 0.7531193722642892
Energy: 0.47601800208348394
Energy: 0.5840843889545586
Energy: 0.47601800208348394
Energy: 0.7521596175354354
Energy: 0.475410959106819
Energy: 0.4283143311922278
Energy: 0.47541095910744635
Energy: 0.8268052243573463
Energy: 0.36724796121429826
Energy: 0.4449087462945524
Energy: 0.36724796121492553
Energy: 0.7523197381625472
Energy: 0.36677257690393816
Energy: 0.4282063445712416
Energy: 0.3667725769045654
Energy: 0.7520216768720667
Energy: 0.3667540402568444
Energy: 0.3670219942989412
Energy: 0.36675404025621705
Energy: 0.8271323965281956
Energy: 0.36624803056737215
Energy: 0.3674306925653461
Energy: 0.36624803056674493
Energy: 0.8250192665217663
Energy: 0.36739062557956653
Energy: 0.3670164014059008
Energy: 0.36739062557956653

minimum gb energy = 0.36554667956550113 eV
minimum distance =  2.55954743179183 Angstroms
sigma value = 15


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

Energy: 0.8324943484404236
Energy: 0.3414306372274314
Energy: 0.5086268369130649
Energy: 0.3547148007988187
Energy: 0.8785783974572297
Energy: 0.3389536985979622
Energy: 0.3899688674390517
Energy: 0.3389536985979622
Energy: 0.8781040926417173
Energy: 0.3406191437747868
Energy: 0.39385566364684854
Energy: 0.34061914377691244
Energy: 0.747796945727743
Energy: 0.3402652849302099
Energy: 0.3905632280086109
Energy: 0.34026528492967856
Energy: 0.8163298580890834
Energy: 0.43719321019647706
Energy: 0.528715890368379
Energy: 0.43719321019700846
Energy: 0.7542862014256938
Energy: 0.3403097467742913
Energy: 0.5260164475538203
Energy: 0.3403097467753541
Energy: 0.6131054529901342
Energy: 0.5388248686868878
Energy: 0.5261972763866911
Energy: 0.5388248686863565
Energy: 0.6851502881099198
Energy: 0.5303428750807291
Energy: 0.5309811986383026
Energy: 0.5303428750807291
Energy: 0.612359576790055
Energy: 0.536942963321198
Energy: 0.6803466985096188
Energy: 0.536942963321198
Energy: 0.6102606266437569
Energy: 0.5352960879179707
Energy: 0.6807508001118459
Energy: 0.5352960879179707
Energy: 0.5304112402782101
Energy: 0.3412608567907366
Energy: 0.7386749719641317
Energy: 0.3412608567923307
Energy: 0.442664651248703
Energy: 0.4370064888440373
Energy: 0.8122732646541455
Energy: 0.43700648884510007
Energy: 0.5271093104058101
Energy: 0.4362618665838898
Energy: 0.8147926662090456
Energy: 0.4362618665844212
Energy: 0.39839088274700096
Energy: 0.34014848399789294
Energy: 0.68941133721285
Energy: 0.3401484839973616
Energy: 0.4051254872257185
Energy: 0.3400499982085981
Energy: 0.8720008352463088
Energy: 0.3400499982091295
Energy: 0.3944709966931415
Energy: 0.3395549334735216
Energy: 0.8158987961263771
Energy: 0.339554933474053
Energy: 0.3462243579060735
Energy: 0.33972818338612243
Energy: 0.809390860562528
Energy: 0.3397281833914362
Energy: 0.3392514432787102
Energy: 0.33962320378849503
Energy: 0.8727634678675549
Energy: 0.33962320378902644
Energy: 0.3460600635646781
Energy: 0.34019214225968175
Energy: 0.7567269606903072
Energy: 0.3401921422602131
Energy: 0.3958177122758021
Energy: 0.339618236673084
Energy: 0.8703213766392063
Energy: 0.3396182366736154
Energy: 0.4033980476506875
Energy: 0.3408721089243666
Energy: 0.8726106108767695
Energy: 0.3408721089259607
Energy: 0.39807595693256387
Energy: 0.340339040478976
Energy: 0.7481047134709358
Energy: 0.34033904047743013
Energy: 0.5265179829400187
Energy: 0.3405041337004618
Energy: 0.7516859349899253
Energy: 0.340504133699399
Energy: 0.5303912511924241
Energy: 0.43739980515776705
Energy: 0.8124737518743249
Energy: 0.4373998051572357
Energy: 0.533071168215254
Energy: 0.44600497264764194
Energy: 0.6452083656232995
Energy: 0.4460049726455165
Energy: 0.683043079985507
Energy: 0.534985037163892
Energy: 0.7549673694928867
Energy: 0.5349850371649547
Energy: 0.527382620103554
Energy: 0.5329980464913119
Energy: 0.6810554938980514
Energy: 0.5329980464918432
Energy: 0.6856350888054148
Energy: 0.5307707154905348
Energy: 0.6447501938903694
Energy: 0.5307707154900033
Energy: 0.6853745583684249
Energy: 0.5380411113059607
Energy: 0.6184450868978423
Energy: 0.5380411113059607
Energy: 0.6824966053573656
Energy: 0.4480125274245139
Energy: 0.5275649238372028
Energy: 0.4480125274245139
Energy: 0.81445970975129
Energy: 0.43662693731191277
Energy: 0.4425294718815007
Energy: 0.43662693731191277
Energy: 0.6874504470065181
Energy: 0.34163706787549847
Energy: 0.45674904572047614
Energy: 0.3416370678770926
Energy: 0.8158917491500933
Energy: 0.3390874567137886
Energy: 0.3940887662708918
Energy: 0.3390874567132572
Energy: 0.8777057475332971
Energy: 0.3390085990367987
Energy: 0.3935032994652933
Energy: 0.3390085990373301
Energy: 0.9270421516747448
Energy: 0.3394632745651802
Energy: 0.34935794578512847
Energy: 0.3394632745556154
Energy: 0.8779457664899849
Energy: 0.3397772031875079
Energy: 0.34049534843699
Energy: 0.3397772031869766
Energy: 0.8764385049784091
Energy: 0.33997622123408894
Energy: 0.3416349047280172
Energy: 0.33997622123408894

minimum gb energy = 0.3389536985979622 eV
minimum distance =  2.55552399652976 Angstroms
sigma value = 85


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

Energy: 0.9360898900808191
Energy: 0.30711724263564916
Energy: 0.3093325812700658
Energy: 0.3245842042908074
Energy: 0.8428374034110664
Energy: 0.30673370671218403
Energy: 0.3531599070494829
Energy: 0.3067337067117232
Energy: 0.8128584377317426
Energy: 0.30676103212471073
Energy: 0.35352081262127627
Energy: 0.30676103212517153
Energy: 0.6991123226871407
Energy: 0.30679470330368336
Energy: 0.3519278913777987
Energy: 0.3067947032972313
Energy: 0.842740130395579
Energy: 0.39308075991651875
Energy: 0.47083886780744705
Energy: 0.3930807599151361
Energy: 0.6992865303887543
Energy: 0.3069287394133255
Energy: 0.47045328610485954
Energy: 0.3069287394133255
Energy: 0.699526907577977
Energy: 0.40716111220340545
Energy: 0.5516606970670437
Energy: 0.4071611122029446
Energy: 0.7310707434763042
Energy: 0.4831793097002673
Energy: 0.5055980034734574
Energy: 0.48317930969980644
Energy: 0.6999191760635076
Energy: 0.49037379274560433
Energy: 0.6091826930175849
Energy: 0.49037379274606513
Energy: 0.700122428645462
Energy: 0.4931000963122475
Energy: 0.6576739944121321
Energy: 0.4931000963122475
Energy: 0.608086663518847
Energy: 0.4841465824756024
Energy: 0.6890385516793585
Energy: 0.4841465824760633
Energy: 0.5755835796287951
Energy: 0.48183420868585236
Energy: 0.7305638363350397
Energy: 0.48183420868539145
Energy: 0.6080732260524978
Energy: 0.48224930606502786
Energy: 0.7578434161334197
Energy: 0.48224930606548866
Energy: 0.466458399205801
Energy: 0.3651102222013336
Energy: 0.6387926323378356
Energy: 0.36511022220225536
Energy: 0.4548847560579819
Energy: 0.3593174100375038
Energy: 0.8413586888955784
Energy: 0.3593174100379647
Energy: 0.4668461785913563
Energy: 0.359578412991896
Energy: 0.7568254456585091
Energy: 0.359578412992357
Energy: 0.3652666470444192
Energy: 0.30586238609738486
Energy: 0.7568171481441327
Energy: 0.3058623860978458
Energy: 0.37172759717244525
Energy: 0.35127750458248624
Energy: 0.868742988735781
Energy: 0.3512775045829471
Energy: 0.3692823804207603
Energy: 0.30665328919519796
Energy: 0.8657165703225043
Energy: 0.30665328919519796
Energy: 0.3276788683250643
Energy: 0.3052547800242902
Energy: 0.8655437132440602
Energy: 0.30525478002475104
Energy: 0.3279198049520674
Energy: 0.30540734040783596
Energy: 0.8951998079262516
Energy: 0.30540734040829687
Energy: 0.32769791172167645
Energy: 0.3050018727610535
Energy: 0.7849176639190968
Energy: 0.3050018727619752
Energy: 0.3732088322453153
Energy: 0.30509552545313956
Energy: 0.8923077423360952
Energy: 0.3050955254522178
Energy: 0.375618152227853
Energy: 0.3064194307357662
Energy: 0.8949187806602983
Energy: 0.3064194307357662
Energy: 0.371813568472586
Energy: 0.30616247333354535
Energy: 0.7695119398834038
Energy: 0.30616247333446706
Energy: 0.4843760883219737
Energy: 0.3067338347888737
Energy: 0.8390602207667003
Energy: 0.3067338347888737
Energy: 0.48671804286339143
Energy: 0.3067011774997814
Energy: 0.8137905133843126
Energy: 0.3067011774997814
Energy: 0.4864112874138851
Energy: 0.3921998702211373
Energy: 0.7701455156798909
Energy: 0.3921998702211373
Energy: 0.604927822338701
Energy: 0.4522210891692614
Energy: 0.7295036150487362
Energy: 0.4522210891692614
Energy: 0.6067231566158744
Energy: 0.45476624359592355
Energy: 0.7023660099585024
Energy: 0.4547662435963844
Energy: 0.6067119160857677
Energy: 0.4601919921218475
Energy: 0.5761454389715155
Energy: 0.46019199212230844
Energy: 0.6394769157648283
Energy: 0.4912597856337256
Energy: 0.6087942926091258
Energy: 0.4912597856328038
Energy: 0.7312965464707473
Energy: 0.4847991082944295
Energy: 0.5763754217316861
Energy: 0.48479910829489037
Energy: 0.764816038375958
Energy: 0.4830343156023269
Energy: 0.5772756196816926
Energy: 0.48303431560324867
Energy: 0.6882141505995338
Energy: 0.30719113455073205
Energy: 0.47008439488702
Energy: 0.3071911345456625
Energy: 0.8423203797594631
Energy: 0.3929676827550895
Energy: 0.47070086995571864
Energy: 0.39296768275555033
Energy: 0.8667300778932695
Energy: 0.3927057685475777
Energy: 0.4702256678158208
Energy: 0.39270576854711686
Energy: 0.7572943683296082
Energy: 0.30688270387152633
Energy: 0.35102750071135086
Energy: 0.30688270387521327
Energy: 0.8980938930485657
Energy: 0.3067987837950517
Energy: 0.35259164871484916
Energy: 0.3067987837955125
Energy: 0.8655746155232266
Energy: 0.3069260603969344
Energy: 0.35131466624107094
Energy: 0.3069260603969344
Energy: 0.7566039157350826
Energy: 0.3072669516912464
Energy: 0.3087061289534342
Energy: 0.3072669516907856
Energy: 0.9216406756306835
Energy: 0.30682564795567996
Energy: 0.3073900067151289
Energy: 0.30682564795521905
Energy: 0.8118590191316142
Energy: 0.3067579484636466
Energy: 0.307080081009304
Energy: 0.30675794846410753

minimum gb energy = 0.3050018727610535 eV
minimum distance =  2.55793605636967 Angstroms
sigma value = 113


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

Energy: 0.011713306651616604
Energy: 0.2391172582807134
Energy: 0.6932115163835263
Energy: 0.013588826631993641
Energy: 0.5191799625688769
Energy: 0.06347512400711894
Energy: 0.5206452978265115
Energy: 0.06347512400676465
Energy: 0.012937940303783311
Energy: 0.06206730198113279
Energy: 0.5185747120497365
Energy: 0.06206730198113279
Energy: 0.013135538932984915
Energy: 0.06152925211968713
Energy: 0.5184382255397701
Energy: 0.061529252119352514
Energy: 0.5183183441210224
Energy: 0.06149775000587014
Energy: 0.5182784566585101
Energy: 0.061497750006559035
Energy: 0.012282080133982605
Energy: 0.061845883998275376
Energy: 0.5185743082312189
Energy: 0.061845883998275376

minimum gb energy = 0.011713306651616604 eV
minimum distance =  2.82305278721414 Angstroms
sigma value = 1