Model name: model_name=EAM_Dynamo_MishinFarkasMehl_1999_Al__MO_651801486679_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=4.050004702806472
cohesive_energy=3.360264241210405
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=[1.68087555026208e-19, 2.35348532298162e-19, 2.86972265622276e-19, 3.26736687501522e-19, 3.5887154424966e-19, 3.8687759181197993e-19, 4.1120664399926993e-19, 4.3076761852377597e-19, 4.46480164773414e-19, 4.59767015599176e-19, 4.7150456161986e-19, 4.82101357877136e-19, 4.91687180678358e-19, 5.002796539665e-19, 5.0793805827702e-19, 5.1471526543884e-19, 5.20632103748202e-19, 5.25685368851838e-19, 5.29859038983408e-19, 5.331274793167679e-19, 5.35525937737866e-19, 5.37132920901768e-19, 5.3804295722988e-19, 5.38331349024e-19, 5.3803494634671e-19, 5.3711369478216e-19, 5.355083137948919e-19, 5.3315631849618e-19, 5.29905502105794e-19, 5.25510731598732e-19, 5.19590688936102e-19, 5.116294732417559e-19, 5.010983662264739e-19, 4.8759842590839e-19, 4.70910154088646e-19, 4.50775600329168e-19, 4.26694885520148e-19, 3.97809242985762e-19, 3.6270074640491994e-19, 3.1920966167499e-19, 2.64585051515394e-19, 1.96317907317288e-19, 1.12728346879923e-19, 9.682738465812659e-21, -1.208528243732736e-19, -2.82962017507374e-19]
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: 1.04222210722815e-10 eV

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

Energy: 0.010324761809514619
Energy: 0.011057896166966955
Energy: 0.3249756384212939
Energy: 0.011057896166467242
Energy: 0.011057896166467242
Energy: 0.40173716525643577
Energy: 0.011057896166966955
Energy: 0.4017371652549644
Energy: 0.3249756384207942
Energy: 0.011057896166467242
Energy: 0.010324761809514619
Energy: 0.011057896166467242
Energy: 0.011057896166966955
Energy: 0.40173716525593606
Energy: 0.011057896166467242
Energy: 0.40173716525593606

minimum gb energy = 0.010324761809514619 eV
minimum distance =  2.8284994386056 Angstroms
sigma value = 1


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

Energy: 0.6658088992924244
Energy: 0.4748538268006431
Energy: 0.5224500569561192
Energy: 0.4748538268006431
Energy: 0.4717787888996639
Energy: 0.511931350559381
Energy: 0.47414514172275435
Energy: 0.5119313505581689
Energy: 0.521640088384568
Energy: 0.5213205031043847
Energy: 0.7283255902514699
Energy: 0.5213205031049908
Energy: 0.4740630055382885
Energy: 0.4728663352227712
Energy: 0.4740161088338305
Energy: 0.47286633522337723
Energy: 0.6203664007632783
Energy: 0.47330146378914695
Energy: 0.47468196139023733
Energy: 0.47330146378975296
Energy: 0.495563545552977
Energy: 0.4812466611127198
Energy: 0.4823664034380728
Energy: 0.4812466611127198
Energy: 0.4923826432800278
Energy: 0.5007700396431086
Energy: 0.6187341139768486
Energy: 0.5007700396431086
Energy: 0.49023208053182277
Energy: 0.488696725044856
Energy: 0.5135010047432557
Energy: 0.488696725044856
Energy: 0.5408062834788591
Energy: 0.5205397834652087
Energy: 0.5054387066767224
Energy: 0.5205397834652087
Energy: 0.5106768469491854
Energy: 0.5138218067529882
Energy: 0.48956236227082567
Energy: 0.5138218067529882
Energy: 0.48794522804299045
Energy: 0.5204202491019689
Energy: 0.5405414838989063
Energy: 0.520420249102575
Energy: 0.4899314608927943
Energy: 0.5219945301657493
Energy: 0.5128630827722012
Energy: 0.5219945301663551
Energy: 0.4902623316586649
Energy: 0.5004704163861139
Energy: 0.4853915889340885
Energy: 0.5004704163855078
Energy: 0.49593038422820185
Energy: 0.49918888884411866
Energy: 0.4982064097974149
Energy: 0.4991888888429066
Energy: 0.48473406648448175
Energy: 0.47277563195402733
Energy: 0.47294113359939294
Energy: 0.4727756319534213
Energy: 0.49272484905084696
Energy: 0.4730918324405102
Energy: 0.4726185523102858
Energy: 0.47309183244111624
Energy: 0.5220447151591857
Energy: 0.5218610711311786
Energy: 0.47588405495840524
Energy: 0.5218610711311786
Energy: 0.47374664382094184
Energy: 0.4753711456584404
Energy: 0.4716620512243637
Energy: 0.4753711456584404
Energy: 0.4816243964147802
Energy: 0.5215100779606036
Energy: 0.5232022567423346
Energy: 0.5215100779599974
Energy: 0.4945014124775682
Energy: 0.4748331869615051
Energy: 0.4747701187365336
Energy: 0.47483318696089905
Energy: 0.47509191687566055
Energy: 0.473476175455926
Energy: 0.48804644378137696
Energy: 0.473476175455926
Energy: 0.48178911777938593
Energy: 0.47476843227873916
Energy: 0.4953698802412512
Energy: 0.47476843227873916
Energy: 0.4876650503239029
Energy: 0.5008831786529447
Energy: 0.4934247643930238
Energy: 0.5008831786529447
Energy: 0.5121555368218065
Energy: 0.4988087845926326
Energy: 0.4896876729173808
Energy: 0.4988087845938447
Energy: 0.5056552887185828
Energy: 0.5216499362673066
Energy: 0.541084920262521
Energy: 0.5216499362660945
Energy: 0.490410810175191
Energy: 0.520091307029436
Energy: 0.5115158802093696
Energy: 0.5200913070288299
Energy: 0.5409604607403906
Energy: 0.5213609762843548
Energy: 0.48765043447375034
Energy: 0.5213609762837489
Energy: 0.5113790822700269
Energy: 0.5210327595129732
Energy: 0.48902345642770834
Energy: 0.5210327595129732
Energy: 0.48533190896968265
Energy: 0.5007099671986915
Energy: 0.49007285825939984
Energy: 0.5007099671999037
Energy: 0.4980617132124035
Energy: 0.5005242253604868
Energy: 0.49593818488383734
Energy: 0.5005242253604868
Energy: 0.472342824683918
Energy: 0.47283029952618566
Energy: 0.4851726374655679
Energy: 0.47283029952739775
Energy: 0.47286300198685444
Energy: 0.4726504184052387
Energy: 0.4924499256718706
Energy: 0.4726504184052387
Energy: 0.47620651174553186
Energy: 0.5246482797049872
Energy: 0.5225681154742546
Energy: 0.5246482797049872

minimum gb energy = 0.4716620512243637 eV
minimum distance =  2.5910384117146 Angstroms
sigma value = 1


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

Energy: 0.7649883129618968
Energy: 0.48895704192396455
Energy: 0.541136509453959
Energy: 0.48895704192258255
Energy: 0.4898153672731025
Energy: 0.5291426726841675
Energy: 0.48864240541371257
Energy: 0.5291426726855495
Energy: 0.5421948612236774
Energy: 0.5416273572551483
Energy: 0.6995936107541435
Energy: 0.5416273572537664
Energy: 0.490765011842005
Energy: 0.5471954194713385
Energy: 0.48854772756649667
Energy: 0.5471954194685745
Energy: 0.49971479148710685
Energy: 0.48905090121952594
Energy: 0.4886776352713252
Energy: 0.48905090121952594
Energy: 0.5168145040306927
Energy: 0.4973977542798614
Energy: 0.4969589033889783
Energy: 0.49739775428124344
Energy: 0.515399054200723
Energy: 0.5242374602083476
Energy: 0.5867723952164743
Energy: 0.5242374602110801
Energy: 0.504749275764483
Energy: 0.5318877827231641
Energy: 0.5323169934934759
Energy: 0.5318877827231641
Energy: 0.5864390226789516
Energy: 0.5467610791241432
Energy: 0.540538713126303
Energy: 0.5467610791234521
Energy: 0.5326999452253565
Energy: 0.5415423576292442
Energy: 0.5059366339422177
Energy: 0.5415423576299354
Energy: 0.5037422356522673
Energy: 0.5227923055693197
Energy: 0.5160309626749514
Energy: 0.5227923055637917
Energy: 0.5178307893995118
Energy: 0.5229697652897342
Energy: 0.5166098374750716
Energy: 0.5229697652890433
Energy: 0.48895424067773763
Energy: 0.48841630248929735
Energy: 0.5029731842748777
Energy: 0.48841630249206136
Energy: 0.48834859970617966
Energy: 0.4883748540835544
Energy: 0.5094530990106314
Energy: 0.48837485408493636
Energy: 0.4859692742027528
Energy: 0.5464602604074448
Energy: 0.5423188478440158
Energy: 0.5464602604095177
Energy: 0.4900759543273484
Energy: 0.4908359191624094
Energy: 0.4884030461464875
Energy: 0.49083591916310026
Energy: 0.5426131036487568
Energy: 0.5413766897041539
Energy: 0.49927317475065436
Energy: 0.5413766897062268
Energy: 0.490310264725968
Energy: 0.49003568407938747
Energy: 0.5168738402245829
Energy: 0.4900356840814605
Energy: 0.4990797505184144
Energy: 0.4878587655271358
Energy: 0.49010123126739474
Energy: 0.48785876552644486
Energy: 0.5169672491432068
Energy: 0.489461610926002
Energy: 0.4985173693835816
Energy: 0.48946161092116497
Energy: 0.5162137583465913
Energy: 0.5221657322520121
Energy: 0.5865035027104598
Energy: 0.5221657322520121
Energy: 0.5046221497392711
Energy: 0.5222567067487863
Energy: 0.5333945197681608
Energy: 0.5222567067508594
Energy: 0.5869328081707772
Energy: 0.5460794334947866
Energy: 0.5404162973055836
Energy: 0.5460794334940955
Energy: 0.532618140647266
Energy: 0.5462281681870611
Energy: 0.5058552827131189
Energy: 0.546228168184988
Energy: 0.5034435807623752
Energy: 0.5228073202681478
Energy: 0.5157721667784042
Energy: 0.5228073202681478
Energy: 0.5171531780407342
Energy: 0.5230661261541694
Energy: 0.5163850728974327
Energy: 0.5230661261486726
Energy: 0.4883416420319254
Energy: 0.4886023861139031
Energy: 0.5028200389235142
Energy: 0.48860238611528506
Energy: 0.4885848397153617
Energy: 0.4881772948975601
Energy: 0.5098568844931317
Energy: 0.4881772948961781
Energy: 0.48568619823767734
Energy: 0.5464134418853582
Energy: 0.5409890430804374
Energy: 0.5464134418853582

minimum gb energy = 0.48568619823767734 eV
minimum distance =  2.58961304872321 Angstroms
sigma value = 25


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

Energy: 0.7293961258197418
Energy: 0.5004018673008702
Energy: 0.5610264656615099
Energy: 0.5004018673016735
Energy: 0.5125094345201774
Energy: 0.5439736190752187
Energy: 0.5037464893861308
Energy: 0.5439736190752187
Energy: 0.5606748327953124
Energy: 0.5614803979661983
Energy: 0.659964685100301
Energy: 0.5614803979670014
Energy: 0.5070595864969283
Energy: 0.5439435157624022
Energy: 0.5043198291927404
Energy: 0.5439435157632055
Energy: 0.5118507698321701
Energy: 0.5034717622484238
Energy: 0.5048968086589034
Energy: 0.5034717622484238
Energy: 0.5400858498445981
Energy: 0.5048268410622417
Energy: 0.5125693692541016
Energy: 0.5048268410622417
Energy: 0.5487127694241954
Energy: 0.5503903070727617
Energy: 0.5505419973093061
Energy: 0.5503903070727617
Energy: 0.5232992531675413
Energy: 0.5610502167638842
Energy: 0.5546034439205677
Energy: 0.5610502167638842
Energy: 0.5513409706841523
Energy: 0.5506692075666337
Energy: 0.5881912658242975
Energy: 0.5506692075658305
Energy: 0.5399800089405744
Energy: 0.5505817218050493
Energy: 0.5122194655730414
Energy: 0.550581721807459
Energy: 0.49601222756526764
Energy: 0.5039071641721455
Energy: 0.5050425138299216
Energy: 0.5039071641721455
Energy: 0.526233782705652
Energy: 0.5037197416600786
Energy: 0.5038920134581367
Energy: 0.5037197416600786
Energy: 0.5603007087676739
Energy: 0.5699835044326195
Energy: 0.49641522425178675
Energy: 0.5699835044326195
Energy: 0.5042246646402649
Energy: 0.5068450370148931
Energy: 0.5103510391526217
Energy: 0.5068450370148931
Energy: 0.5166835585050753
Energy: 0.5613706560321967
Energy: 0.5624056528891719
Energy: 0.561370656033
Energy: 0.539501572986327
Energy: 0.5664824014697716
Energy: 0.5076569047849077
Energy: 0.5664824014697716
Energy: 0.5047286064964656
Energy: 0.5036202813832419
Energy: 0.514365206350867
Energy: 0.5036202813832419
Energy: 0.5045491836866298
Energy: 0.5043408565716895
Energy: 0.5391780891355895
Energy: 0.5043408565716895
Energy: 0.5505872371703141
Energy: 0.5504203116728457
Energy: 0.5256826637505065
Energy: 0.5504203116736489
Energy: 0.5558014355236668
Energy: 0.5504333253250673
Energy: 0.5259179467937066
Energy: 0.5504333253250673
Energy: 0.5835758503236014
Energy: 0.5505338257634095
Energy: 0.5512779293811094
Energy: 0.5505338257642126
Energy: 0.5214069989511234
Energy: 0.5519719292678077
Energy: 0.5400765718379942
Energy: 0.5519719292670044
Energy: 0.5045164739321242
Energy: 0.5035320888030282
Energy: 0.4962884236257271
Energy: 0.5035320888030282
Energy: 0.5037995864432353
Energy: 0.5043447788580333
Energy: 0.5263911600262731
Energy: 0.5043447788580333
Energy: 0.49603236242896065
Energy: 0.5683838944028954
Energy: 0.5612171606755259
Energy: 0.5683838944028954

minimum gb energy = 0.49601222756526764 eV
minimum distance =  2.59030446091601 Angstroms
sigma value = 9


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

Energy: 0.6760516457352658
Energy: 0.505257935293847
Energy: 0.5777856535665883
Energy: 0.5052579352967218
Energy: 0.5419426123225247
Energy: 0.5532094326556615
Energy: 0.5203499625835218
Energy: 0.5532094326547033
Energy: 0.577966897788504
Energy: 0.5775763143027018
Energy: 0.5224373979769447
Energy: 0.5775763143046183
Energy: 0.5252842007324626
Energy: 0.5531304733690958
Energy: 0.5208048663944741
Energy: 0.553130473370054
Energy: 0.6066606908866884
Energy: 0.5207003325865566
Energy: 0.5227396923784979
Energy: 0.5207003325875148
Energy: 0.5716197076772378
Energy: 0.5209775449840346
Energy: 0.528196820433356
Energy: 0.5209775449811598
Energy: 0.5422155467331388
Energy: 0.5759451567913219
Energy: 0.5395009073945843
Energy: 0.5759451567913219
Energy: 0.5285648172318183
Energy: 0.5764296760674001
Energy: 0.588689195272087
Energy: 0.5764296760674001
Energy: 0.5207695254648821
Energy: 0.520504203082693
Energy: 0.5002321091488486
Energy: 0.520504203082693
Energy: 0.5206099864702697
Energy: 0.5204583791274403
Energy: 0.4999566444334796
Energy: 0.5204583791293567
Energy: 0.49937660947660906
Energy: 0.5779784002490507
Energy: 0.5876475153396925
Energy: 0.5779784002500089
Energy: 0.5401074430128986
Energy: 0.5252773439091022
Energy: 0.5205429222313677
Energy: 0.5252773439071858
Energy: 0.5784732394121502
Energy: 0.5778420541762658
Energy: 0.524836461971911
Energy: 0.5778420541753075
Energy: 0.5250693332871214
Energy: 0.5530498565455519
Energy: 0.5698459111061829
Energy: 0.5530498565455519
Energy: 0.5392345675418673
Energy: 0.5204468678406104
Energy: 0.5203770105996701
Energy: 0.5204468678406104
Energy: 0.5715094073709416
Energy: 0.5211286468233677
Energy: 0.5206021228926283
Energy: 0.5211286468243259
Energy: 0.5399866396088725
Energy: 0.5762311722204945
Energy: 0.539895928566379
Energy: 0.5762311722185779
Energy: 0.5404791107562854
Energy: 0.5764830422222598
Energy: 0.5719751580227853
Energy: 0.5764830422213014
Energy: 0.5201108157092361
Energy: 0.5204365190542564
Energy: 0.500145315004826
Energy: 0.5204365190542564
Energy: 0.5204225860899042
Energy: 0.5255198863322611
Energy: 0.49994111967115706
Energy: 0.5255198863322611
Energy: 0.49964958701496565
Energy: 0.5878074757240151
Energy: 0.5883649597161906
Energy: 0.587807475723057

minimum gb energy = 0.49937660947660906 eV
minimum distance =  2.58358364273854 Angstroms
sigma value = 25


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

Energy: 0.599983230112114
Energy: 0.5063270916638866
Energy: 0.593840246374469
Energy: 0.5063270916627016
Energy: 0.5001416560435874
Energy: 0.5396360882170098
Energy: 0.5514789057568267
Energy: 0.5396360882170098
Energy: 0.5930111446380679
Energy: 0.5926735023878991
Energy: 0.6242768778292344
Energy: 0.5926735023878991
Energy: 0.5020092020592676
Energy: 0.5396817590363151
Energy: 0.5512732567776496
Energy: 0.5396817590363151
Energy: 0.5495941973370081
Energy: 0.5826286157328557
Energy: 0.5523566030242493
Energy: 0.5826286157328557
Energy: 0.5659523184357771
Energy: 0.5515055741468173
Energy: 0.5161324516050446
Energy: 0.5515055741468173
Energy: 0.5995835268452161
Energy: 0.5808920976692146
Energy: 0.5502718940875836
Energy: 0.5808920976703995
Energy: 0.5000108039160903
Energy: 0.5811096879045056
Energy: 0.5160608900084173
Energy: 0.5811096879045056
Energy: 0.592737166731471
Energy: 0.5934447710251947
Energy: 0.6280692044346772
Energy: 0.5934447710251947
Energy: 0.5925909038450613
Energy: 0.5019218249571861
Energy: 0.5003766522908424
Energy: 0.5019218249571861
Energy: 0.6240249084846503
Energy: 0.5929048420016038
Energy: 0.59438140641419
Energy: 0.5929048420016038
Energy: 0.5648001235292103
Energy: 0.5398733544913984
Energy: 0.5018779930994159
Energy: 0.5398733544913984
Energy: 0.5166958047386765
Energy: 0.5826230279280981
Energy: 0.5497875174465492
Energy: 0.5826230279280981
Energy: 0.5528624271156038
Energy: 0.5521344449918172
Energy: 0.564984446124054
Energy: 0.5521344449918172
Energy: 0.5503294084274979
Energy: 0.5819598297886557
Energy: 0.6036207196446057
Energy: 0.5819598297886557
Energy: 0.51599835033273
Energy: 0.5875787058256545
Energy: 0.601951511778877
Energy: 0.5875787058268396
Energy: 0.6276349795002002
Energy: 0.6038421289302451
Energy: 0.6048394121654854
Energy: 0.6038421289302451

minimum gb energy = 0.5000108039160903 eV
minimum distance =  2.57326674130575 Angstroms
sigma value = 17


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

Energy: 0.833042515807587
Energy: 0.6027633477856071
Energy: 0.6565704136447127
Energy: 0.6027633477862784
Energy: 0.5672103941194371
Energy: 0.5451138726093221
Energy: 0.645378013229497
Energy: 0.5451138726086507
Energy: 0.5605335513799642
Energy: 0.559781865084512
Energy: 0.6221151332723457
Energy: 0.559781865084512
Energy: 0.5439406671681093
Energy: 0.5442839348168372
Energy: 0.5946545620830312
Energy: 0.5442839348181796
Energy: 0.6240658364934906
Energy: 0.5971076880461921
Energy: 0.5739737579807844
Energy: 0.5971076880461921
Energy: 0.595397821988283
Energy: 0.6000133931084128
Energy: 0.5821568513262239
Energy: 0.6000133931084128
Energy: 0.6692329142297583
Energy: 0.5589567447893589
Energy: 0.5607620213504058
Energy: 0.5589567447893589
Energy: 0.6747218610651996
Energy: 0.5589938726792956
Energy: 0.5570689426868024
Energy: 0.5589938726799667
Energy: 0.6623857077571939
Energy: 0.6575433117826521
Energy: 0.6264288371920941
Energy: 0.6575433117819811
Energy: 0.6689325891437287
Energy: 0.6227649281523722
Energy: 0.6417319914764865
Energy: 0.6227649281523722
Energy: 0.6234382466080058
Energy: 0.5427069120105572
Energy: 0.5432854452187044
Energy: 0.5427069120112284
Energy: 0.6234651791375632
Energy: 0.5422924473985803
Energy: 0.5430565402676086
Energy: 0.5422924473985803
Energy: 0.5727228203966804
Energy: 0.5424160454095047
Energy: 0.5423974581665458
Energy: 0.5424160454088336
Energy: 0.6680814664452438
Energy: 0.5483028426975466
Energy: 0.5425103788700065
Energy: 0.5483028426982177
Energy: 0.6605813442401954
Energy: 0.6570878928881466
Energy: 0.6750341704354861
Energy: 0.6570878928881466
Energy: 0.656801761263184
Energy: 0.659341131600717
Energy: 0.6738238159185741
Energy: 0.659341131600717
Energy: 0.6238043745305374
Energy: 0.5594597455497224
Energy: 0.5597391663818106
Energy: 0.5594597455490512
Energy: 0.6238806882250884
Energy: 0.5587108322802621
Energy: 0.5598965328130948
Energy: 0.5587108322802621
Energy: 0.5836021637559469
Energy: 0.6013423964087523
Energy: 0.5847202866852099
Energy: 0.6013423964094236
Energy: 0.5696001644801567
Energy: 0.5979148199904384
Energy: 0.5830163082083908
Energy: 0.5979148199917806
Energy: 0.5603328435037772
Energy: 0.5436759260934023
Energy: 0.6776738981826042
Energy: 0.5436759260947446
Energy: 0.5602636148960423
Energy: 0.5601396195739435
Energy: 0.5722907415264215
Energy: 0.5601396195746148
Energy: 0.6464978931869525
Energy: 0.6247440729958419
Energy: 0.6593122835313455
Energy: 0.6247440729951708
Energy: 0.6214441946443287
Energy: 0.6592678101801581
Energy: 0.6601149982104084
Energy: 0.6592678101808291
Energy: 0.5274895926931621
Energy: 0.5435932968307633
Energy: 0.6246231558896588
Energy: 0.5435932968314344
Energy: 0.5428688765180751
Energy: 0.542922177664888
Energy: 0.6219353351137278
Energy: 0.542922177664888
Energy: 0.5250930538790796
Energy: 0.5792898081163989
Energy: 0.6240741106338572
Energy: 0.5792898081157277
Energy: 0.5459974163367023
Energy: 0.5427345889947284
Energy: 0.6740340964517832
Energy: 0.5427345889953995
Energy: 0.5268060441424324
Energy: 0.5763206622329563
Energy: 0.5730541834721908
Energy: 0.5763206622322851
Energy: 0.6729308468626733
Energy: 0.6590588708658892
Energy: 0.6563531419345454
Energy: 0.6590588708638757

minimum gb energy = 0.5250930538790796 eV
minimum distance =  2.55992351220962 Angstroms
sigma value = 53


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

Energy: 0.7514220847725754
Energy: 0.4887767758036532
Energy: 0.598650701516808
Energy: 0.4887767758036532
Energy: 0.6950212228898921
Energy: 0.5144221046645925
Energy: 0.5968156545407455
Energy: 0.5144221046676828
Energy: 0.5974795206249571
Energy: 0.5964964864126628
Energy: 0.5913596923740942
Energy: 0.596496486414208
Energy: 0.5878566703123883
Energy: 0.5131132018776094
Energy: 0.5785683441180008
Energy: 0.5131132018760644
Energy: 0.5929072251053722
Energy: 0.5126534875220432
Energy: 0.47725236959704653
Energy: 0.5126534875204982
Energy: 0.5776990617971741
Energy: 0.5139147437987974
Energy: 0.47745996069468505
Energy: 0.5139147438003425
Energy: 0.690082675463162
Energy: 0.5952903803529929
Energy: 0.5965549915782651
Energy: 0.5952903803514478
Energy: 0.6930942295668073
Energy: 0.5953208581934375
Energy: 0.6111919394759516
Energy: 0.5953208581934375
Energy: 0.5971615465538278
Energy: 0.5965225795263642
Energy: 0.5908696368514996
Energy: 0.5965225795263642
Energy: 0.5906788632853025
Energy: 0.5785707337453905
Energy: 0.5867281465538049
Energy: 0.5785707337469357
Energy: 0.5936868704452467
Energy: 0.5127679790923618
Energy: 0.47778056623047976
Energy: 0.5127679790954521
Energy: 0.587776066085189
Energy: 0.5127327270042149
Energy: 0.48012552097132116
Energy: 0.5127327270073051
Energy: 0.6936392299133292
Energy: 0.594950035068762
Energy: 0.59596263968894
Energy: 0.5949500350656717

minimum gb energy = 0.47725236959704653 eV
minimum distance =  2.58844350363588 Angstroms
sigma value = 9


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

Energy: 0.7363645716520969
Energy: 0.6319221963602764
Energy: 0.6875636078736206
Energy: 0.6319221963597046
Energy: 0.6417268013853729
Energy: 0.5360980303991763
Energy: 0.688336162323129
Energy: 0.5360980303991763
Energy: 0.5361322700544306
Energy: 0.5360431455711051
Energy: 0.6678956562403172
Energy: 0.5360431455711051
Energy: 0.53863856932236
Energy: 0.5357320849066741
Energy: 0.7057414042003464
Energy: 0.5357320849078179
Energy: 0.5372891369125893
Energy: 0.5350488402506166
Energy: 0.7097284091606434
Energy: 0.535048840249473
Energy: 0.5907445136996838
Energy: 0.5354415459750546
Energy: 0.7081756173277951
Energy: 0.5354415459750546
Energy: 0.7002631020849326
Energy: 0.6743821513199748
Energy: 0.6876345717305494
Energy: 0.6743821513205467
Energy: 0.6885443971145637
Energy: 0.6635698513617881
Energy: 0.6754097141281719
Energy: 0.66356985136236
Energy: 0.580755949303864
Energy: 0.6019616936919715
Energy: 0.5738646525903202
Energy: 0.6019616936919715
Energy: 0.5262203669436991
Energy: 0.5754818389394118
Energy: 0.6641727155317207
Energy: 0.5754818389394118
Energy: 0.5849311230508326
Energy: 0.5816261704599639
Energy: 0.6197894246174402
Energy: 0.581626170459392
Energy: 0.582178242686313
Energy: 0.5822700391342741
Energy: 0.7118632730917132
Energy: 0.5822700391342741
Energy: 0.7012973842635737
Energy: 0.5816037808715816
Energy: 0.6394481192200351
Energy: 0.5816037808721536
Energy: 0.702232794902378
Energy: 0.5819050165984458
Energy: 0.5880621989814366
Energy: 0.581905016597874
Energy: 0.6668032445057683
Energy: 0.575291017937704
Energy: 0.5782385728623932
Energy: 0.5752910179371321
Energy: 0.6199147737541003
Energy: 0.6170615847016695
Energy: 0.5795865053581261
Energy: 0.6170615847022414
Energy: 0.6693030069553783
Energy: 0.6006323430370721
Energy: 0.5935780045766926
Energy: 0.6006323430370721
Energy: 0.6863412760316131
Energy: 0.6756966772506997
Energy: 0.7343019705514122
Energy: 0.6756966772512716
Energy: 0.6912822191378145
Energy: 0.5355227860718521
Energy: 0.6409585308644158
Energy: 0.5355227860729959
Energy: 0.6775469145487186
Energy: 0.5361096064253966
Energy: 0.5361214838089801
Energy: 0.536109606424851
Energy: 0.704795043717879
Energy: 0.5355887414175327
Energy: 0.5393935786478332
Energy: 0.5355887414175327
Energy: 0.7082382530727277
Energy: 0.5351059991876457
Energy: 0.5359522199512896
Energy: 0.5351059991876457
Energy: 0.7094047749635688
Energy: 0.5356338405750538
Energy: 0.553846666171466
Energy: 0.53563384057391
Energy: 0.6894065500272506
Energy: 0.6699209974897188
Energy: 0.7029884778812692
Energy: 0.6699209974902908
Energy: 0.6764967745379006
Energy: 0.6689419600478289
Energy: 0.7022236395162681
Energy: 0.668941960046685
Energy: 0.5747034191780243
Energy: 0.630978265310769
Energy: 0.5814356831882316
Energy: 0.6309782653096252
Energy: 0.6687063483020258
Energy: 0.5752258714192451
Energy: 0.5257344592766268
Energy: 0.5752258714186732
Energy: 0.6586002559346633
Energy: 0.5809740786742832
Energy: 0.5855936228443799
Energy: 0.5809740786742832
Energy: 0.7134847347206453
Energy: 0.5824723494346189
Energy: 0.5845576975576774
Energy: 0.5824723494351908
Energy: 0.6379417802253061
Energy: 0.5807314579745291
Energy: 0.7014948441558068
Energy: 0.5807314579756729
Energy: 0.5857175678896976
Energy: 0.582455090850932
Energy: 0.6670927344036595
Energy: 0.5824550908515038
Energy: 0.5875953066657948
Energy: 0.5765351769916639
Energy: 0.6541460517137976
Energy: 0.5765351769922357
Energy: 0.5774163039182102
Energy: 0.616717682561639
Energy: 0.6206403019219117
Energy: 0.616717682561639
Energy: 0.5831597860475437
Energy: 0.5996625979132242
Energy: 0.6260073163642624
Energy: 0.5996625979137961
Energy: 0.7126478912002306
Energy: 0.6717381726638344
Energy: 0.6793953539995209
Energy: 0.6717381726644063

minimum gb energy = 0.5257344592766268 eV
minimum distance =  2.58098889000077 Angstroms
sigma value = 73


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

Energy: 0.7945956747742593
Energy: 0.608412893056737
Energy: 0.6582306617329182
Energy: 0.608412893056737
Energy: 0.5991463644780282
Energy: 0.5509548810804168
Energy: 0.6572010928782003
Energy: 0.5509548810804168
Energy: 0.5508986290788108
Energy: 0.5511091231203247
Energy: 0.647409915530315
Energy: 0.5511091231194174
Energy: 0.5508016953928977
Energy: 0.5463480670511146
Energy: 0.7105264998177016
Energy: 0.5463480670511146
Energy: 0.5536064391255987
Energy: 0.5520677216711777
Energy: 0.6908739760890172
Energy: 0.5520677216711777
Energy: 0.5998585710962607
Energy: 0.5516850770027831
Energy: 0.6910312284761233
Energy: 0.5516850770036905
Energy: 0.6307477897230709
Energy: 0.651430199177002
Energy: 0.6746568617368656
Energy: 0.6514301991779092
Energy: 0.630968742929654
Energy: 0.6442180342204794
Energy: 0.6523820286899775
Energy: 0.6442180342195721
Energy: 0.5947105975957979
Energy: 0.6126747661737537
Energy: 0.6531798395984639
Energy: 0.6126747661737537
Energy: 0.5669364943121968
Energy: 0.6103842861643797
Energy: 0.6530763626318198
Energy: 0.6103842861661942
Energy: 0.5860834783106476
Energy: 0.5514780610430965
Energy: 0.5513221093203333
Energy: 0.5514780610430965
Energy: 0.5859779245162372
Energy: 0.5866806631855462
Energy: 0.6776530025560091
Energy: 0.5866806631855462
Energy: 0.6569976530741632
Energy: 0.5514046278680547
Energy: 0.5858939440711123
Energy: 0.551404627868962
Energy: 0.646501615399157
Energy: 0.586530566396678
Energy: 0.5887376686486983
Energy: 0.586530566396678
Energy: 0.6675984417094065
Energy: 0.5651475327731568
Energy: 0.5640971926624733
Energy: 0.565147532774064
Energy: 0.6911081804983545
Energy: 0.5659327896609511
Energy: 0.5644290115371592
Energy: 0.5659327896618584
Energy: 0.6952149418871872
Energy: 0.564210709602676
Energy: 0.6322697211068234
Energy: 0.564210709602676
Energy: 0.6584081426486118
Energy: 0.659380272192146
Energy: 0.6321257899714197
Energy: 0.6593802721912387
Energy: 0.6381116074820897
Energy: 0.6323384730210535
Energy: 0.6307277993402187
Energy: 0.6323384730219608
Energy: 0.6194843578115774
Energy: 0.5786724085521673
Energy: 0.623391104538399
Energy: 0.5786724085539819
Energy: 0.6385369492864447
Energy: 0.6004822059763762
Energy: 0.5685725896415967
Energy: 0.600482205975469
Energy: 0.6964337974751982
Energy: 0.635690354500592
Energy: 0.6416227703543358
Energy: 0.6356903545024065

minimum gb energy = 0.5463480670511146 eV
minimum distance =  2.56803691769566 Angstroms
sigma value = 7


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

Energy: 0.9496998927169615
Energy: 0.5998648557488007
Energy: 0.6697588099033094
Energy: 0.5998648557481591
Energy: 0.6861697338959714
Energy: 0.6065610925904009
Energy: 0.6981287355046776
Energy: 0.6065610925910425
Energy: 0.5472926794960139
Energy: 0.5459860922400421
Energy: 0.6034299733925814
Energy: 0.5459860922368341
Energy: 0.548291122161169
Energy: 0.5462174264327726
Energy: 0.6563252801289761
Energy: 0.5462174264346974
Energy: 0.5709226373825038
Energy: 0.5670428683246
Energy: 0.6596201889187296
Energy: 0.5670428683278078
Energy: 0.5681954414705987
Energy: 0.567082747560434
Energy: 0.6601734185403212
Energy: 0.5670827475578677
Energy: 0.6898099293729363
Energy: 0.5675966085671288
Energy: 0.5675325549745437
Energy: 0.567596608568412
Energy: 0.6869123690570076
Energy: 0.5673842455211225
Energy: 0.5677420069495412
Energy: 0.567384245519198
Energy: 0.7036184013719675
Energy: 0.5458587899054035
Energy: 0.5460117243466439
Energy: 0.5458587899066866
Energy: 0.6648158453433253
Energy: 0.5462150244891378
Energy: 0.5455762342134238
Energy: 0.5462150244917041
Energy: 0.6955874824726325
Energy: 0.6270978273822945
Energy: 0.6873353483537544
Energy: 0.6270978273803697
Energy: 0.638779886729699
Energy: 0.6395050144842417
Energy: 0.6884888593721615
Energy: 0.6395050144842417
Energy: 0.6274610063432287
Energy: 0.5740351668519117
Energy: 0.6388235510665075
Energy: 0.5740351668506286
Energy: 0.6059446609680087
Energy: 0.5729915542121993
Energy: 0.5482961118661352
Energy: 0.5729915542077083
Energy: 0.6436935952992437
Energy: 0.5741674923240904
Energy: 0.5756945729225986
Energy: 0.5741674923228071
Energy: 0.5911375051584952
Energy: 0.639063105085428
Energy: 0.6397974179225254
Energy: 0.639063105089919
Energy: 0.587404048031314
Energy: 0.6292704720659668
Energy: 0.6561801091149475
Energy: 0.6292704720666084
Energy: 0.5748353555941171
Energy: 0.5458074617617734
Energy: 0.6044693847734521
Energy: 0.5458074617643397
Energy: 0.5468093501025284
Energy: 0.5454434552293658
Energy: 0.6980586296525025
Energy: 0.545443455231932
Energy: 0.567162443792145
Energy: 0.5671677038417672
Energy: 0.5910939495779948
Energy: 0.5671677038398424
Energy: 0.5689649929620822
Energy: 0.5674789550202783
Energy: 0.6600394588075806
Energy: 0.5674789550196367
Energy: 0.6880299306713964
Energy: 0.567613616677957
Energy: 0.568004308205992
Energy: 0.5676136166798816
Energy: 0.6868520554587958
Energy: 0.5678118394815114
Energy: 0.5683372068384761
Energy: 0.5678118394795867
Energy: 0.6938204157649841
Energy: 0.5460044569009416
Energy: 0.5481077350575826
Energy: 0.5460044569041496
Energy: 0.6628062146443032
Energy: 0.5461726604860689
Energy: 0.5453313451412066
Energy: 0.5461726604879935
Energy: 0.6857081854620563
Energy: 0.606363358071584
Energy: 0.6384538577509928
Energy: 0.6063633580741505
Energy: 0.6705298952295514
Energy: 0.6668783631389318
Energy: 0.8070771691943404
Energy: 0.6668783631363656
Energy: 0.6343908370734621
Energy: 0.6280343256586771
Energy: 0.6385090245018475
Energy: 0.6280343256586771
Energy: 0.6045826291468146
Energy: 0.5738939460222864
Energy: 0.6163064605078777
Energy: 0.5738939460203616
Energy: 0.6409761007136741
Energy: 0.5767600239522235
Energy: 0.5480625798718239
Energy: 0.5767600239535067
Energy: 0.5910366968899602
Energy: 0.6390036904159587
Energy: 0.6415633101174202
Energy: 0.6390036904153171

minimum gb energy = 0.5453313451412066 eV
minimum distance =  2.57557499293024 Angstroms
sigma value = 29


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

Energy: 0.5013846476018126
Energy: 0.5028042133247579
Energy: 0.6262214943487207
Energy: 0.5028042133243109
Energy: 0.5838355952790422
Energy: 0.5633402592954982
Energy: 0.590905474689809
Energy: 0.5633402592959202
Energy: 0.5924824049152442
Energy: 0.5874501038203824
Energy: 0.5443993663311474
Energy: 0.5874501038201589
Energy: 0.5506295299389319
Energy: 0.5119059685785762
Energy: 0.5910892414589926
Energy: 0.5119059685787749
Energy: 0.551480761875865
Energy: 0.5471279070159646
Energy: 0.502136287130817
Energy: 0.5471279070155425
Energy: 0.5907746849422731
Energy: 0.5874256205949484
Energy: 0.5020970512910683
Energy: 0.5874256205947249
Energy: 0.5460184788405819
Energy: 0.5886021386915739
Energy: 0.5915899710595575
Energy: 0.5886021386913505
Energy: 0.5908395423732242
Energy: 0.5150189254319169
Energy: 0.5847258031100755
Energy: 0.5150189254321156
Energy: 0.5836315652774223
Energy: 0.5457372658406631
Energy: 0.5463813597693353
Energy: 0.5457372658434938

minimum gb energy = 0.5013846476018126 eV
minimum distance =  2.5848532477074 Angstroms
sigma value = 5


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

Energy: 0.7203801207075358
Energy: 0.508669213203548
Energy: 0.6346825140718015
Energy: 0.5086692132053663
Energy: 0.6279211412341648
Energy: 0.5171523492867569
Energy: 0.615977810004057
Energy: 0.5171523492861508
Energy: 0.6152303874197893
Energy: 0.5577570414733152
Energy: 0.6070833063982185
Energy: 0.5577570414733152
Energy: 0.5303723010507517
Energy: 0.5163328534168531
Energy: 0.6422261296952879
Energy: 0.5163328534192774
Energy: 0.6204953029733338
Energy: 0.5248585390165457
Energy: 0.6542274772490775
Energy: 0.5248585390165457
Energy: 0.5513345378685877
Energy: 0.5250590199020363
Energy: 0.6543984612245177
Energy: 0.5250590199020363
Energy: 0.5168920575651313
Energy: 0.5163114292228306
Energy: 0.6462404790109784
Energy: 0.5163114292228306
Energy: 0.5197427509974648
Energy: 0.5173146980999506
Energy: 0.6852803456843041
Energy: 0.5173146980993445
Energy: 0.5998274605582079
Energy: 0.5991585945228233
Energy: 0.6896321994390312
Energy: 0.5991585945222174
Energy: 0.6231753469007244
Energy: 0.5042255687163697
Energy: 0.5179591117740101
Energy: 0.5042255687157635
Energy: 0.5988740127854225
Energy: 0.5038537684288193
Energy: 0.5054506902720147
Energy: 0.5038537684294252
Energy: 0.6799308586551971
Energy: 0.5051683276894239
Energy: 0.5121197714282694
Energy: 0.5051683276888178
Energy: 0.6833592257331879
Energy: 0.5040701195153272
Energy: 0.6431770796304559
Energy: 0.5040701195171454
Energy: 0.5976329215151518
Energy: 0.5281312545260483
Energy: 0.6064677990325537
Energy: 0.5281312545272604
Energy: 0.517929336171483
Energy: 0.5170417444854132
Energy: 0.6079306292222716
Energy: 0.5170417444860193
Energy: 0.5225986261219044
Energy: 0.5175417392874007
Energy: 0.6432682855847864
Energy: 0.5175417392880066
Energy: 0.5167696154675686
Energy: 0.5169778410753882
Energy: 0.6206658230194915
Energy: 0.5169778410741762
Energy: 0.6185649483457027
Energy: 0.51751161020061
Energy: 0.6304314551857754
Energy: 0.5175116101993978
Energy: 0.6078232030399666
Energy: 0.5589096062300677
Energy: 0.6173173069348233
Energy: 0.5589096062294617
Energy: 0.6459811798586333
Energy: 0.5165534965757795
Energy: 0.5280397422351426
Energy: 0.5165534965775976
Energy: 0.6538614258775973
Energy: 0.5179950358481096
Energy: 0.6210575163516203
Energy: 0.5179950358481096
Energy: 0.6544000958931286
Energy: 0.5486956015033133
Energy: 0.5536131465054035
Energy: 0.5486956015033133
Energy: 0.6422470656800148
Energy: 0.516361050008462
Energy: 0.5184612091427564
Energy: 0.516361050008462
Energy: 0.6844226407138095
Energy: 0.5171949450592959
Energy: 0.520010446509495
Energy: 0.5171949450586898
Energy: 0.6896358454454576
Energy: 0.537517609828221
Energy: 0.5984350970772067
Energy: 0.537517609828827
Energy: 0.5204518429432556
Energy: 0.5042674094294908
Energy: 0.6232063721805007
Energy: 0.5042674094294908
Energy: 0.5257591658251111
Energy: 0.5040441210568452
Energy: 0.6001615786018443
Energy: 0.5040441210562392
Energy: 0.5112177479800903
Energy: 0.5046717608882789
Energy: 0.6257284449475344
Energy: 0.5046717608882789
Energy: 0.6387305798928884
Energy: 0.5040986609491596
Energy: 0.6847506125429311
Energy: 0.5040986609485537
Energy: 0.6072743315313477
Energy: 0.5341193807080366
Energy: 0.5981609526143923
Energy: 0.5341193807092487
Energy: 0.6069343916050479
Energy: 0.5171298021503086
Energy: 0.519220881945887
Energy: 0.5171298021509148
Energy: 0.6427804994022528
Energy: 0.5171866475038682
Energy: 0.5194012869328329
Energy: 0.5171866475026563
Energy: 0.6206468844687558
Energy: 0.5172447084681315
Energy: 0.5517846024165096
Energy: 0.5172447084675255

minimum gb energy = 0.5038537684288193 eV
minimum distance =  2.56843487742667 Angstroms
sigma value = 1


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

Energy: 0.8637325089712169
Energy: 0.4953017231613003
Energy: 0.6300999669463481
Energy: 0.4953017231604623
Energy: 0.6463595635983241
Energy: 0.4997313200562672
Energy: 0.622526326237407
Energy: 0.49973132005710524
Energy: 0.6229472795630303
Energy: 0.5536921946821218
Energy: 0.6189944801029081
Energy: 0.5536921946821218
Energy: 0.5648733782226462
Energy: 0.6036896199580815
Energy: 0.6618839115187537
Energy: 0.6036896199589195
Energy: 0.6187710033615361
Energy: 0.5047450273778876
Energy: 0.6462984474119577
Energy: 0.5047450273770495
Energy: 0.5373592884364179
Energy: 0.5046083028139908
Energy: 0.6460771401969682
Energy: 0.5046083028148289
Energy: 0.5043940364975452
Energy: 0.503907074612575
Energy: 0.6624694604269254
Energy: 0.503907074612575
Energy: 0.5040294422507348
Energy: 0.5050711942389357
Energy: 0.6894096421391888
Energy: 0.5050711942397736
Energy: 0.6109926420470192
Energy: 0.5305959839000913
Energy: 0.6950164552255101
Energy: 0.5305959838992534
Energy: 0.6650199563264589
Energy: 0.47592666455370963
Energy: 0.5349507169826787
Energy: 0.47592666455370963
Energy: 0.6091879662917277
Energy: 0.48206676627489636
Energy: 0.5395670702632597
Energy: 0.48206676627489636
Energy: 0.7061130777715791
Energy: 0.4757737977337659
Energy: 0.5228262302171992
Energy: 0.4757737977329279
Energy: 0.7051346294028713
Energy: 0.47502027837044053
Energy: 0.6189939724228317
Energy: 0.47502027837295435
Energy: 0.620601026666739
Energy: 0.47499131277332574
Energy: 0.6505132426767248
Energy: 0.47499131277248774
Energy: 0.5653653128481326
Energy: 0.5887001730073246
Energy: 0.6505545518273818
Energy: 0.5887001730073246
Energy: 0.567082436718889
Energy: 0.5040452596957662
Energy: 0.6679015943312879
Energy: 0.5040452596949282
Energy: 0.5709971223228374
Energy: 0.5441605864716312
Energy: 0.6460604573159625
Energy: 0.5441605864724691
Energy: 0.515418508590651
Energy: 0.5045491206676793
Energy: 0.646654327259713
Energy: 0.5045491206685172
Energy: 0.510940568910917
Energy: 0.5044311040890805
Energy: 0.6830132222836538
Energy: 0.5044311040874045
Energy: 0.50449905111341
Energy: 0.5714317177073268
Energy: 0.6893973257897172
Energy: 0.5714317177064888
Energy: 0.6652389592939709
Energy: 0.500741305458691
Energy: 0.6975670398802613
Energy: 0.5007413054612049
Energy: 0.6659640003692616
Energy: 0.49987773124861984
Energy: 0.5006515851349893
Energy: 0.49987773124778184
Energy: 0.6734337867287694
Energy: 0.4995711612957017
Energy: 0.5009154527148661
Energy: 0.4995711612957017
Energy: 0.6884348547624277
Energy: 0.5230405406025317
Energy: 0.5255663779108222
Energy: 0.5230405406033697

minimum gb energy = 0.47499131277248774 eV
minimum distance =  2.55104540750184 Angstroms
sigma value = 17


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

Energy: 0.8296936745311977
Energy: 0.49147382470972734
Energy: 0.6329676074327419
Energy: 0.49147382471076323
Energy: 0.6204626525277777
Energy: 0.49204341193030576
Energy: 0.5723607051807562
Energy: 0.49204341193237744
Energy: 0.6358771044106682
Energy: 0.5964403116749113
Energy: 0.5707681199930189
Energy: 0.5964403116764652
Energy: 0.6377036721789335
Energy: 0.5166785897596349
Energy: 0.6317101962526399
Energy: 0.5166785897585991
Energy: 0.6748936873467509
Energy: 0.49366744321855976
Energy: 0.6911109931878062
Energy: 0.4936674432180419
Energy: 0.4833391097138184
Energy: 0.49337551859926976
Energy: 0.7173259382936201
Energy: 0.49337551859978773
Energy: 0.48382357134883286
Energy: 0.4824121844503465
Energy: 0.6519403352998981
Energy: 0.48241218444879275
Energy: 0.48902694410776854
Energy: 0.48322259663196565
Energy: 0.7502167161587189
Energy: 0.4832225966298939
Energy: 0.6887960694555352
Energy: 0.4833347714878438
Energy: 0.6879313691237954
Energy: 0.4833347714878438
Energy: 0.5778517194929302
Energy: 0.5186154311670828
Energy: 0.5729053455758055
Energy: 0.5186154311665648
Energy: 0.6884921073778021
Energy: 0.4916188841475778
Energy: 0.4988177763617915
Energy: 0.49161888414602406
Energy: 0.7159415898056128
Energy: 0.4925154496060353
Energy: 0.5808688355870847
Energy: 0.49251544960810695
Energy: 0.7129574090231516
Energy: 0.5171391824324973
Energy: 0.5212208033019603
Energy: 0.5171391824335332
Energy: 0.7163603736233749
Energy: 0.49127017462103156
Energy: 0.49359515467117904
Energy: 0.4912701746199957
Energy: 0.6352676252096855
Energy: 0.4919119288768481
Energy: 0.49896038977622953
Energy: 0.4919119288768481
Energy: 0.743461499182753
Energy: 0.4921754532641019
Energy: 0.6973860103181545
Energy: 0.49217545326461987
Energy: 0.4930931168823199
Energy: 0.551513903187134
Energy: 0.6962123616492891
Energy: 0.5515139031866162
Energy: 0.49387312802289
Energy: 0.4919026745471644
Energy: 0.7163537050175056
Energy: 0.49190267454871817
Energy: 0.5105265430824384
Energy: 0.49254591736321807
Energy: 0.6850600591086013
Energy: 0.49254591736270015
Energy: 0.6104639758507358
Energy: 0.5515064518836676
Energy: 0.7530883340955153
Energy: 0.5515064518800421
Energy: 0.5732507027905722
Energy: 0.491965285976631
Energy: 0.6693936373327227
Energy: 0.49196528597611305
Energy: 0.5716008803981578
Energy: 0.5971302732836715
Energy: 0.6345012850475994
Energy: 0.5971302732821177
Energy: 0.6253013054271582
Energy: 0.515773390487196
Energy: 0.6353578794859291
Energy: 0.515773390487196
Energy: 0.692979226191479
Energy: 0.48273418014853375
Energy: 0.5693909644769702
Energy: 0.48273418014697994
Energy: 0.7156924440097919
Energy: 0.48596444000760414
Energy: 0.4951002839845657
Energy: 0.4859644400050145
Energy: 0.6516733823089297
Energy: 0.48283146322614434
Energy: 0.4859132668106227
Energy: 0.48283146322614434
Energy: 0.7406932456967723
Energy: 0.4833363658326328
Energy: 0.49127188384530257
Energy: 0.48333636583159695
Energy: 0.6846813817406886
Energy: 0.5163692003466718
Energy: 0.6894258047610584
Energy: 0.5163692003471897
Energy: 0.5716485040384072
Energy: 0.5173656003620092
Energy: 0.5705672340361513
Energy: 0.517365600363045
Energy: 0.49991408462034986
Energy: 0.4913603349285096
Energy: 0.6906592312888302
Energy: 0.4913603349259199
Energy: 0.579067877769061
Energy: 0.5047471463692533
Energy: 0.7184142483762219
Energy: 0.5047471463692533
Energy: 0.5197175524043568
Energy: 0.5064236392453721
Energy: 0.7197270918628563
Energy: 0.5064236392433006
Energy: 0.49162831760853604
Energy: 0.49111007453354033
Energy: 0.714419147236259
Energy: 0.49111007453354033
Energy: 0.4983081124351447
Energy: 0.4922307797995485
Energy: 0.6371570433600943
Energy: 0.4922307798016202
Energy: 0.6990029048647385
Energy: 0.4921301859848227
Energy: 0.7424698169187984
Energy: 0.4921301859853406
Energy: 0.6984080112493537
Energy: 0.4926184916879252
Energy: 0.49277133818958097
Energy: 0.4926184916884432
Energy: 0.6975540551106848
Energy: 0.4917579433346228
Energy: 0.49222795188898305
Energy: 0.49175794333358697
Energy: 0.688393990350003
Energy: 0.49287963245230154
Energy: 0.5323681850905487
Energy: 0.4928796324512657

minimum gb energy = 0.48241218444879275 eV
minimum distance =  2.5627653058302 Angstroms
sigma value = 89


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

Energy: 0.8762753043412026
Energy: 0.47450560365506866
Energy: 0.44539015665536824
Energy: 0.47450560365506866
Energy: 0.7403291867514664
Energy: 0.4877050461175171
Energy: 0.6021478517870269
Energy: 0.4877050461175171
Energy: 0.44078285706523684
Energy: 0.4884451964707651
Energy: 0.6017597438039222
Energy: 0.4884451964707651
Energy: 0.44350678374112323
Energy: 0.489363789055317
Energy: 0.6013225340126933
Energy: 0.489363789055317
Energy: 0.46201167609092125
Energy: 0.44678043204332873
Energy: 0.5990833835396598
Energy: 0.44678043204332873
Energy: 0.44447875019592514
Energy: 0.44658609080086575
Energy: 0.5985378015874055
Energy: 0.44658609080086575
Energy: 0.445708667819312
Energy: 0.444340704534525
Energy: 0.6010380285563581
Energy: 0.444340704534525
Energy: 0.4448761320795829
Energy: 0.4455469880681816
Energy: 0.7397168350871102
Energy: 0.4455469880681816
Energy: 0.5939699317970064
Energy: 0.4453994873580891
Energy: 0.7403275740666192
Energy: 0.4453994873580891
Energy: 0.6017221134874043
Energy: 0.4879383415161166
Energy: 0.6014449425984512
Energy: 0.48793834151747173
Energy: 0.5938115452546762
Energy: 0.4875329397059577
Energy: 0.44059504575787073
Energy: 0.4875329397059577
Energy: 0.5986722594053678
Energy: 0.4460253925746205
Energy: 0.6018792632003696
Energy: 0.4460253925746205
Energy: 0.5996116960428817
Energy: 0.4450239560339843
Energy: 0.44721393287305333
Energy: 0.4450239560326291
Energy: 0.7440069206030212
Energy: 0.4443140432311475
Energy: 0.4449209096805221
Energy: 0.4443140432311475
Energy: 0.7401073172472523
Energy: 0.4450751995710761
Energy: 0.44773072361962113
Energy: 0.4450751995710761

minimum gb energy = 0.44059504575787073 eV
minimum distance =  2.60218078560977 Angstroms
sigma value = 13


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

Energy: 0.7767163093598255
Energy: 0.44874360992362083
Energy: 0.6110595281368565
Energy: 0.4487436099241888
Energy: 0.7090724970975798
Energy: 0.4346897896626143
Energy: 0.51885565072658
Energy: 0.43468978966829436
Energy: 0.7084080824725436
Energy: 0.4342395618950978
Energy: 0.517199349771928
Energy: 0.4342395618916898
Energy: 0.5946828145479404
Energy: 0.4350512581662914
Energy: 0.6120116037760084
Energy: 0.4350512581662914
Energy: 0.7031165406092647
Energy: 0.4348628090475243
Energy: 0.6556057163038244
Energy: 0.43486280904468433
Energy: 0.5197279134340456
Energy: 0.43461767418566605
Energy: 0.6509885487410585
Energy: 0.43461767418509806
Energy: 0.5174871152530925
Energy: 0.4344668552829548
Energy: 0.7908393651482176
Energy: 0.43446685527841084
Energy: 0.5177851647762991
Energy: 0.44856830253037155
Energy: 0.7501248621654858
Energy: 0.4485683025309395
Energy: 0.4390252446090852
Energy: 0.4353524993497391
Energy: 0.7539166671016606
Energy: 0.43535249934860304
Energy: 0.43720909908041655
Energy: 0.4346054187435571
Energy: 0.7537914334581717
Energy: 0.43460541874469316
Energy: 0.4343681544144359
Energy: 0.43524767672323433
Energy: 0.776276138302005
Energy: 0.4352476767203943
Energy: 0.6511473811743331
Energy: 0.4582306519608529
Energy: 0.7538568585733978
Energy: 0.45823065196198887
Energy: 0.6539102842450827
Energy: 0.45521808753089676
Energy: 0.6513295635252822
Energy: 0.45521808752862475
Energy: 0.6481721478528942
Energy: 0.4570859665131207
Energy: 0.5933345859237755
Energy: 0.4570859665148247
Energy: 0.7597423207209908
Energy: 0.43500725678293484
Energy: 0.5965498147241469
Energy: 0.4350072567823668
Energy: 0.7581213438385059
Energy: 0.435058176495795
Energy: 0.43924589619739507
Energy: 0.43505817649863504
Energy: 0.732125775148398
Energy: 0.43455799820452035
Energy: 0.4369659710885362
Energy: 0.4345579982090644
Energy: 0.7246476105738684
Energy: 0.4350220586630576
Energy: 0.437652331102236
Energy: 0.4350220586647616
Energy: 0.8007801666000176
Energy: 0.4351161610121882
Energy: 0.5309629448160553
Energy: 0.4351161610104842
Energy: 0.7555866639801156
Energy: 0.43428624921519104
Energy: 0.5179065965270649
Energy: 0.434286249210079
Energy: 0.5946186526690299
Energy: 0.43508811109949347
Energy: 0.5282605007810487
Energy: 0.43508811109949347
Energy: 0.7551342522670484
Energy: 0.43373351793806864
Energy: 0.6513439598617731
Energy: 0.4337335179386366
Energy: 0.5202560467170864
Energy: 0.43486395570564157
Energy: 0.6516064820919806
Energy: 0.4348639557050736
Energy: 0.43852983959515673
Energy: 0.43437315443444213
Energy: 0.7579095844234256
Energy: 0.43437315442989816
Energy: 0.5208124153001762
Energy: 0.4482915047726348
Energy: 0.7592531867675814
Energy: 0.44829150477377083
Energy: 0.45303563050077256
Energy: 0.4353303341291249
Energy: 0.7570164440645145
Energy: 0.4353303341268529
Energy: 0.4345975070900461
Energy: 0.4343861881274035
Energy: 0.787413999512199
Energy: 0.4343861881285395
Energy: 0.4346006566291904
Energy: 0.43553458206005247
Energy: 0.7025302788962356
Energy: 0.4355345820589165
Energy: 0.6512805550290627
Energy: 0.4349778542138296
Energy: 0.8014515056056786
Energy: 0.4349778542126937
Energy: 0.5163743968553676
Energy: 0.4570907552542283
Energy: 0.6537938055202113
Energy: 0.45709075525820436
Energy: 0.6540203144028802
Energy: 0.4594933765072335
Energy: 0.5950699728221664
Energy: 0.4594933765060975
Energy: 0.7574885540521522
Energy: 0.43498708875226016
Energy: 0.654206218324168
Energy: 0.43498708875112413
Energy: 0.760452749785563
Energy: 0.435295510958619
Energy: 0.43431954955017177
Energy: 0.43529551096032304
Energy: 0.7879684089772876
Energy: 0.43427586976960225
Energy: 0.4349676812848587
Energy: 0.4342758697701703
Energy: 0.7979059834765898
Energy: 0.4488801957111798
Energy: 0.43866674571037184
Energy: 0.4488801957117478

minimum gb energy = 0.43373351793806864 eV
minimum distance =  2.58844885037496 Angstroms
sigma value = 37


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

Energy: 0.6693526943764281
Energy: 0.43856955264338515
Energy: 0.39764908582857295
Energy: 0.43856955264240793
Energy: 0.806794445317738
Energy: 0.3979254669890197
Energy: 0.5270899856285118
Energy: 0.3979254669890197
Energy: 0.6447764987171376
Energy: 0.39770368206609213
Energy: 0.5257313036119353
Energy: 0.39770368206706935
Energy: 0.6445808563431148
Energy: 0.44107808231476286
Energy: 0.6580802681945896
Energy: 0.4410780823157178
Energy: 0.6593228195651244
Energy: 0.4428967374088776
Energy: 0.5246113173112444
Energy: 0.4428967374079003
Energy: 0.47606059748298984
Energy: 0.398472987179625
Energy: 0.6107889754923874
Energy: 0.398472987179625
Energy: 0.3955637513835092
Energy: 0.3977240142588862
Energy: 0.7285300847942795
Energy: 0.3977240142588862
Energy: 0.5259944627531847
Energy: 0.3982684830833871
Energy: 0.7167675952760002
Energy: 0.3982684830843643
Energy: 0.39784005449734966
Energy: 0.39846052891181366
Energy: 0.725878710694511
Energy: 0.3984605289127909
Energy: 0.39800531003169753
Energy: 0.3980386642620164
Energy: 0.7712063340221021
Energy: 0.3980386642620164
Energy: 0.3976490862651911
Energy: 0.43856955264240793
Energy: 0.6693526943754509
Energy: 0.43856955264338515
Energy: 0.5270899856275346
Energy: 0.3979254669890197
Energy: 0.7709714851017481
Energy: 0.397925466989997
Energy: 0.5257313036119353
Energy: 0.3977036820651149
Energy: 0.6447764987171376
Energy: 0.3977036820651149
Energy: 0.6580802681945896
Energy: 0.4410780823157178
Energy: 0.6445808563421376
Energy: 0.4410780823157178
Energy: 0.5246113173112444
Energy: 0.4428967374088776
Energy: 0.65932281956317
Energy: 0.4428967374098548
Energy: 0.6107889754923874
Energy: 0.39847298717864776
Energy: 0.5273914260039714
Energy: 0.39847298717864776
Energy: 0.7285300847952567
Energy: 0.3977240142588862
Energy: 0.39556375138448635
Energy: 0.3977240142588862
Energy: 0.716767595275023
Energy: 0.3982684830833871
Energy: 0.525994462754162
Energy: 0.3982684830833871
Energy: 0.7258787106935338
Energy: 0.39846052891181366
Energy: 0.39784005449734966
Energy: 0.39846052891181366
Energy: 0.7285056620513001
Energy: 0.3980386642620164
Energy: 0.39800531003072026
Energy: 0.3980386642610392

minimum gb energy = 0.3955637513835092 eV
minimum distance =  2.59503063775803 Angstroms
sigma value = 25


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

Energy: 0.8717418386642838
Energy: 0.4097867074220863
Energy: 0.3716392341609256
Energy: 0.40978670742361245
Energy: 0.8133148091716317
Energy: 0.3721796878124945
Energy: 0.4667253077604002
Energy: 0.37217968781096833
Energy: 0.7410228638456902
Energy: 0.37157707041337384
Energy: 0.4766674860874247
Energy: 0.37157707041261073
Energy: 0.6073202530034106
Energy: 0.37205612621754985
Energy: 0.6349234218031335
Energy: 0.372056126218313
Energy: 0.7523760739533468
Energy: 0.4055460281828959
Energy: 0.6438580934000048
Energy: 0.4055460281828959
Energy: 0.588764060563553
Energy: 0.40481118682756173
Energy: 0.6428378186664983
Energy: 0.40481118682603556
Energy: 0.5886592181489555
Energy: 0.37048284132561055
Energy: 0.7806493371311313
Energy: 0.3704828413248475
Energy: 0.6191814820941638
Energy: 0.37079829036672063
Energy: 0.6656828958084916
Energy: 0.37079829036672063
Energy: 0.46465665847042376
Energy: 0.3705188141126213
Energy: 0.7816411825442723
Energy: 0.3705188141141475
Energy: 0.46516978139889503
Energy: 0.3705071866955717
Energy: 0.7049815705049547
Energy: 0.3705071866970979
Energy: 0.4144593225531549
Energy: 0.3709064597259429
Energy: 0.7439486240590553
Energy: 0.3709064597289605
Energy: 0.41454561982257104
Energy: 0.37008406144531436
Energy: 0.7052173484584267
Energy: 0.370084061442262
Energy: 0.41953790493456383
Energy: 0.3645147036605754
Energy: 0.8433617699351018
Energy: 0.36451470365981237
Energy: 0.5060472980563233
Energy: 0.36514813792483714
Energy: 0.7027117267773062
Energy: 0.36514813792331097
Energy: 0.5198088338914817
Energy: 0.3639920452289762
Energy: 0.8433965750889238
Energy: 0.3639920452320286
Energy: 0.5137840027722521
Energy: 0.37018262687036907
Energy: 0.7440691928132258
Energy: 0.3701826268711322
Energy: 0.6325580149442293
Energy: 0.3704940805079259
Energy: 0.7404762418351919
Energy: 0.3704940805079259
Energy: 0.5145295364267863
Energy: 0.40336812427298613
Energy: 0.7488511750757372
Energy: 0.40336812427451224
Energy: 0.6334246023491659
Energy: 0.4034712063213614
Energy: 0.6004678665247465
Energy: 0.4034712063213614
Energy: 0.7752207992160505
Energy: 0.47016266643586474
Energy: 0.5889205361112559
Energy: 0.47016266643739096
Energy: 0.7443098327562648
Energy: 0.37183841536227585
Energy: 0.4668765039918918
Energy: 0.37183841536380197
Energy: 0.7753960814451478
Energy: 0.371807302318631
Energy: 0.4161578448149839
Energy: 0.371807302318631
Energy: 0.8131335848886362
Energy: 0.3725909345041223
Energy: 0.4729026646678389
Energy: 0.37259093450259606
Energy: 0.6735906992268836
Energy: 0.3733655958452136
Energy: 0.37216225303140893
Energy: 0.3733655958444505
Energy: 0.8551877854915534
Energy: 0.3718902664369995
Energy: 0.37374967455873037
Energy: 0.3718902664339472
Energy: 0.7427276543772898
Energy: 0.37275304642251345
Energy: 0.3765769138571258
Energy: 0.37275304642175033

minimum gb energy = 0.3639920452289762 eV
minimum distance =  2.5813553280272 Angstroms
sigma value = 41


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

Energy: 0.7631260691374716
Energy: 0.3703769618099543
Energy: 0.3384564447057938
Energy: 0.3703769618093287
Energy: 0.8663421040162812
Energy: 0.33894400429015004
Energy: 0.41817715912527226
Energy: 0.33894400429015004
Energy: 0.745665056829696
Energy: 0.3381841981192516
Energy: 0.4236019716101416
Energy: 0.3381841981180004
Energy: 0.6304115789030257
Energy: 0.3384029975760603
Energy: 0.5596181759107761
Energy: 0.3384029975760603
Energy: 0.7512115259167219
Energy: 0.33891923559423576
Energy: 0.5706964630529606
Energy: 0.338919235595487
Energy: 0.6240259676185548
Energy: 0.45496110670314727
Energy: 0.5672013142737931
Energy: 0.45496110670314727
Energy: 0.6276701034357481
Energy: 0.36634474310870774
Energy: 0.6898086420923001
Energy: 0.36634474310745657
Energy: 0.6346204096524417
Energy: 0.3659635912964893
Energy: 0.5639031899194386
Energy: 0.3659635912971149
Energy: 0.5055713903288036
Energy: 0.4553078997364599
Energy: 0.68554007377868
Energy: 0.45530789973520863
Energy: 0.5107599379678245
Energy: 0.3383505178480933
Energy: 0.8066608068160811
Energy: 0.33835051785184683
Energy: 0.4159354342036472
Energy: 0.3392751833253475
Energy: 0.684973971422735
Energy: 0.3392751833247219
Energy: 0.42116002879154624
Energy: 0.3384205943294836
Energy: 0.8066678258867561
Energy: 0.33842059433136046
Energy: 0.4192165007746345
Energy: 0.3393290275435576
Energy: 0.8081091839747846
Energy: 0.3393290275435576
Energy: 0.33938374269162425
Energy: 0.33934785516916577
Energy: 0.6851266100540266
Energy: 0.33934785516916577
Energy: 0.34029075038882356
Energy: 0.3389155132672689
Energy: 0.8073132806578046
Energy: 0.3389155132685201
Energy: 0.34073758767611306
Energy: 0.33953087791038716
Energy: 0.7483135634153865
Energy: 0.33953087791038716
Energy: 0.42295773908371326
Energy: 0.33927692962237094
Energy: 0.7516180037331281
Energy: 0.33927692962237094
Energy: 0.4176031127377321
Energy: 0.3386026606877535
Energy: 0.7517354744905099
Energy: 0.3386026606877535
Energy: 0.41817729887900834
Energy: 0.33868857851143125
Energy: 0.6268380769913747
Energy: 0.33868857851080564
Energy: 0.5608639553251131
Energy: 0.33839419989345415
Energy: 0.6244470692364166
Energy: 0.33839419989220293
Energy: 0.5664337740344538
Energy: 0.4535326459427772
Energy: 0.6890921409161789
Energy: 0.4535326459427772
Energy: 0.5618422607783837
Energy: 0.4567377249482857
Energy: 0.6284636425840864
Energy: 0.45673772494891124
Energy: 0.6855830081606038
Energy: 0.36453378672225306
Energy: 0.6239241700858065
Energy: 0.3645337867247555
Energy: 0.5634497484866626
Energy: 0.4565037470642727
Energy: 0.5612272959839553
Energy: 0.4565037470648983
Energy: 0.6906709651072106
Energy: 0.4533988801735853
Energy: 0.49533560437899155
Energy: 0.4533988801729597
Energy: 0.6868106067403461
Energy: 0.3384723974414826
Energy: 0.5594408109916863
Energy: 0.33847239743710344
Energy: 0.6893287553382428
Energy: 0.33857441833698587
Energy: 0.41935907823935087
Energy: 0.3385744183351091
Energy: 0.81006677621545
Energy: 0.33852680718928774
Energy: 0.41822029601226335
Energy: 0.33852680718991335
Energy: 0.6887634174588197
Energy: 0.3393516602159151
Energy: 0.41703374624508593
Energy: 0.33935166021341273
Energy: 0.6870804606313596
Energy: 0.3394082253103912
Energy: 0.3390035782727992
Energy: 0.33940822530976555
Energy: 0.8079468419154489
Energy: 0.3387970553298808
Energy: 0.3400318977176148
Energy: 0.3387970553305064
Energy: 0.744599450906707
Energy: 0.3395154667086993
Energy: 0.3388564012098437
Energy: 0.3395154667086993

minimum gb energy = 0.3381841981180004 eV
minimum distance =  2.58632660350957 Angstroms
sigma value = 15


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

Energy: 0.7671046933797578
Energy: 0.3534552312332333
Energy: 0.3218483936384047
Energy: 0.3534552312311134
Energy: 0.8788105482316456
Energy: 0.3168733597407538
Energy: 0.38834507634124
Energy: 0.3168733597407538
Energy: 0.7751670761805087
Energy: 0.3181343106124349
Energy: 0.387868587624954
Energy: 0.3181343106140248
Energy: 0.6754614446342795
Energy: 0.31689670380851065
Energy: 0.505249053123336
Energy: 0.3168967038090406
Energy: 0.781233259439214
Energy: 0.31764365020253904
Energy: 0.5110748168874263
Energy: 0.317643650203069
Energy: 0.667701869454195
Energy: 0.41685557856415595
Energy: 0.5051932188659788
Energy: 0.41685557856415595
Energy: 0.5649042158565407
Energy: 0.4273617237991414
Energy: 0.6218293907219101
Energy: 0.4273617237986114
Energy: 0.6744803917240686
Energy: 0.5204575918776719
Energy: 0.5077146695503812
Energy: 0.520457591876612
Energy: 0.5633586942930686
Energy: 0.5168204116455815
Energy: 0.6160630395100058
Energy: 0.5168204116450514
Energy: 0.5627480553530866
Energy: 0.5180708423318265
Energy: 0.7215293327024984
Energy: 0.5180708423339464
Energy: 0.508093620200278
Energy: 0.41757872067396995
Energy: 0.6250433406338396
Energy: 0.41757872067185003
Energy: 0.44926768220455665
Energy: 0.41913175254295215
Energy: 0.7216632156593263
Energy: 0.4191317525445421
Energy: 0.5049158623387507
Energy: 0.31608475478470693
Energy: 0.7213953407044233
Energy: 0.3160847547825871
Energy: 0.3853514742506955
Energy: 0.3168064684231894
Energy: 0.6211448861980983
Energy: 0.3168064684231894
Energy: 0.3831214191767854
Energy: 0.31667606518493246
Energy: 0.8265761262683242
Energy: 0.31667606518493246
Energy: 0.3852724170786357
Energy: 0.3174648077732034
Energy: 0.7234347515512823
Energy: 0.31746480777214353
Energy: 0.31700704148682324
Energy: 0.31765446041611867
Energy: 0.7266536030113497
Energy: 0.3176544604177086
Energy: 0.31659864356768874
Energy: 0.3165325203759626
Energy: 0.828536397838712
Energy: 0.3165325203759626
Energy: 0.31996921441824927
Energy: 0.3176593008054337
Energy: 0.6706707902305584
Energy: 0.3176593008064936
Energy: 0.38397476934465924
Energy: 0.3178577092420304
Energy: 0.7796318313380806
Energy: 0.3178577092430903
Energy: 0.38099098228041745
Energy: 0.3176634032670546
Energy: 0.8283822877424571
Energy: 0.3176634032659947
Energy: 0.38136743518886773
Energy: 0.3166908930486685
Energy: 0.673501522336837
Energy: 0.31669089304972836
Energy: 0.5062124784596428
Energy: 0.3161518833245429
Energy: 0.6673245044948807
Energy: 0.3161518833155816
Energy: 0.5085051074261823
Energy: 0.41941143017845706
Energy: 0.7231759239139808
Energy: 0.41941143017951704
Energy: 0.5132894067983635
Energy: 0.4175596384383895
Energy: 0.5687451548982491
Energy: 0.41755963843732957
Energy: 0.6158144095192918
Energy: 0.5175169519513906
Energy: 0.7223833907926395
Energy: 0.5175169519503308
Energy: 0.5103606590189971
Energy: 0.5166246976153714
Energy: 0.6178857807388216
Energy: 0.5166246976143115
Energy: 0.6751336560189888
Energy: 0.5212601488939901
Energy: 0.5685714083052558
Energy: 0.52126014889346
Energy: 0.6179953585752541
Energy: 0.42849371523610913
Energy: 0.6208619357660577
Energy: 0.4284937152381808
Energy: 0.6162743503322653
Energy: 0.41654255704195925
Energy: 0.5130429199961271
Energy: 0.41654255704195925
Energy: 0.7806366061612294
Energy: 0.4184110679599529
Energy: 0.44915628418019793
Energy: 0.41841106796101285
Energy: 0.6204285009193456
Energy: 0.31657901348116513
Energy: 0.5054670510235528
Energy: 0.31657901348169504
Energy: 0.7216264028283641
Energy: 0.31811293133666996
Energy: 0.38329767207341886
Energy: 0.31811293133613994
Energy: 0.7813610881925298
Energy: 0.31701566372420575
Energy: 0.3833516053928567
Energy: 0.3170156637252657
Energy: 0.7209297035127181
Energy: 0.3175182743244661
Energy: 0.38254740486620326
Energy: 0.3175182743244661
Energy: 0.826883952470559
Energy: 0.3173363609130888
Energy: 0.3211107952943209
Energy: 0.31733636091414874
Energy: 0.7742685119799374
Energy: 0.3172790636010193
Energy: 0.3215602140943674
Energy: 0.3172790636015493

minimum gb energy = 0.3160847547825871 eV
minimum distance =  2.58776044907746 Angstroms
sigma value = 85


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

Energy: 0.7107870807767948
Energy: 0.3366408600276588
Energy: 0.28636824208220785
Energy: 0.3366408600285782
Energy: 0.8761878813967441
Energy: 0.2864788423338604
Energy: 0.34167280196345434
Energy: 0.28647884233432
Energy: 0.688101403637205
Energy: 0.2862828434601264
Energy: 0.3416875932163285
Energy: 0.28628284345966676
Energy: 0.593821227309197
Energy: 0.2863943198881133
Energy: 0.4515959843104268
Energy: 0.28639431988627473
Energy: 0.7887467312907172
Energy: 0.3764815024872677
Energy: 0.4531690986150874
Energy: 0.3764815024877273
Energy: 0.5940563294164078
Energy: 0.2868616978100908
Energy: 0.4538169867042197
Energy: 0.2868616978045959
Energy: 0.5938659879252267
Energy: 0.3882674863226618
Energy: 0.5495384661420818
Energy: 0.3882674863226618
Energy: 0.6976674743271478
Energy: 0.46744438501123886
Energy: 0.4528559503776948
Energy: 0.4674443850116986
Energy: 0.5969098154297735
Energy: 0.4690687977474767
Energy: 0.5512724284422679
Energy: 0.46906879774701704
Energy: 0.5957093620509177
Energy: 0.47563379971707415
Energy: 0.6441041258542701
Energy: 0.4756337997166145
Energy: 0.549643317363011
Energy: 0.46949006051590386
Energy: 0.5489444607392784
Energy: 0.46949006051544423
Energy: 0.5050981352833176
Energy: 0.46741475016032824
Energy: 0.6441172470341534
Energy: 0.46741475016032824
Energy: 0.5496312783348
Energy: 0.3879747522046965
Energy: 0.641924720418291
Energy: 0.38797475220607547
Energy: 0.45317742760579344
Energy: 0.37679814614413726
Energy: 0.5485394957875271
Energy: 0.37679814614413726
Energy: 0.39798367355457
Energy: 0.28731217694544287
Energy: 0.7386563300563503
Energy: 0.28731217696015166
Energy: 0.4520959920704497
Energy: 0.28750017492177427
Energy: 0.6427274812684539
Energy: 0.28750017492177427
Energy: 0.34498602650710747
Energy: 0.2863091307395717
Energy: 0.6413208271460288
Energy: 0.2863091307395717
Energy: 0.34184157041169666
Energy: 0.28620154575116524
Energy: 0.8309134669834961
Energy: 0.28620154575116524
Energy: 0.3438711713128094
Energy: 0.28750141336244694
Energy: 0.7355936058776805
Energy: 0.287501413361068
Energy: 0.2865441253601779
Energy: 0.2874558437171974
Energy: 0.7354624382955182
Energy: 0.28745584371673777
Energy: 0.2869688359241989
Energy: 0.28673207610491336
Energy: 0.8303873689152267
Energy: 0.2867320761058327
Energy: 0.286505540100718
Energy: 0.28811146105843716
Energy: 0.6874659452744755
Energy: 0.28811146105843716
Energy: 0.3438774575051558
Energy: 0.28714580682490837
Energy: 0.782635007261579
Energy: 0.2871458068244486
Energy: 0.3440269059661811
Energy: 0.28621389843146616
Energy: 0.8293856367811084
Energy: 0.28621389843146616
Energy: 0.3421252313016015
Energy: 0.2864951011829863
Energy: 0.5937189164755551
Energy: 0.28649510118344595
Energy: 0.4511508212539603
Energy: 0.28738748804510167
Energy: 0.7844936543185986
Energy: 0.287387488044642
Energy: 0.45358214026250776
Energy: 0.2865339886411291
Energy: 0.6888429617894695
Energy: 0.2865339886388309
Energy: 0.5493970575612401
Energy: 0.38779230444552254
Energy: 0.5940763470994799
Energy: 0.38779230444368396
Energy: 0.5512117581758754
Energy: 0.467778635833545
Energy: 0.7373351887155076
Energy: 0.4677786358330854
Energy: 0.5496535105640609
Energy: 0.4730830790808663
Energy: 0.5946960225641136
Energy: 0.4730830790813259
Energy: 0.6424761086383513
Energy: 0.4749248077416992
Energy: 0.5048187400170082
Energy: 0.4749248077416992
Energy: 0.5489176219544001
Energy: 0.4749901908313524
Energy: 0.6426554189070014
Energy: 0.4749901908313524
Energy: 0.6426446250544325
Energy: 0.46723082045695563
Energy: 0.5030023116363798
Energy: 0.46723082045741526
Energy: 0.7377022796552636
Energy: 0.4677043531326664
Energy: 0.5031285044736183
Energy: 0.4677043531331261
Energy: 0.5490628620404796
Energy: 0.376829222526234
Energy: 0.526512979808295
Energy: 0.376829222526234
Energy: 0.7374132700890376
Energy: 0.3767522250475228
Energy: 0.4534227381504768
Energy: 0.3767522250470631
Energy: 0.7364574778398951
Energy: 0.28671814968062254
Energy: 0.4573534479156486
Energy: 0.2867181496810822
Energy: 0.6412274364882772
Energy: 0.28643196321539044
Energy: 0.34389252001049453
Energy: 0.2864319632158501
Energy: 0.8304820774866025
Energy: 0.2861248236162732
Energy: 0.3429514746312474
Energy: 0.28612482361581365
Energy: 0.7366139587837992
Energy: 0.28710540581065513
Energy: 0.34369938952776186
Energy: 0.28710540581065513
Energy: 0.6411459688834232
Energy: 0.28778722058648787
Energy: 0.2866546641485574
Energy: 0.28778722058648787
Energy: 0.8308688446059426
Energy: 0.2866458721120843
Energy: 0.2865886096766999
Energy: 0.2866458721120843
Energy: 0.6874622173711198
Energy: 0.2874223756201172
Energy: 0.28634054520555413
Energy: 0.28742237561965756

minimum gb energy = 0.28612482361581365 eV
minimum distance =  2.58793225252833 Angstroms
sigma value = 113


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

Energy: 0.011681134539857096
Energy: 0.01214227062191673
Energy: 0.6820512591433482
Energy: 0.012142270620876304
Energy: 0.01211555923934313
Energy: 0.06316954926130358
Energy: 0.4076478259372464
Energy: 0.06316954926096986
Energy: 0.012055259099622748
Energy: 0.06229949525588851
Energy: 0.40602344313113103
Energy: 0.06229949525588851
Energy: 0.013057046506718474
Energy: 0.06173701730269915
Energy: 0.40553296401447547
Energy: 0.06173701730132499
Energy: 0.40656586440650344
Energy: 0.06215745821875802
Energy: 0.4064128293194948
Energy: 0.06215745821944508
Energy: 0.011944830089772282
Energy: 0.061906377033292034
Energy: 0.40580954955448967
Energy: 0.061906377033292034

minimum gb energy = 0.011681134539857096 eV
minimum distance =  2.82842862250851 Angstroms
sigma value = 1