Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_Fe__MO_681088298208_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.865952417254448
cohesive_energy=4.290335420566668
mass=55.845
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=[5.2308663835148995e-21, 4.2665002457439595e-20, 1.223667210747402e-19, 2.10836831974596e-19, 2.8695784603257e-19, 3.5040243856233597e-19, 4.0488445500150593e-19, 4.52688599230164e-19, 4.9464800309799e-19, 5.31006197453352e-19, 5.61989089201644e-19, 5.88003631207902e-19, 6.095913591744179e-19, 6.27337067572602e-19, 6.41795109517818e-19, 6.534637619432399e-19, 6.6277240818678e-19, 6.700991619340619e-19, 6.757756737483239e-19, 6.80104755013392e-19, 6.833411518140719e-19, 6.855906078082079e-19, 6.86905994824722e-19, 6.87333775986e-19, 6.86873951292042e-19, 6.853951422588599e-19, 6.827227116333479e-19, 6.78646774276452e-19, 6.72917390633268e-19, 6.652237384368e-19, 6.551893061780579e-19, 6.42351064809816e-19, 6.261274242139319e-19, 6.0579259837520395e-19, 5.804381531421539e-19, 5.4892173657474e-19, 5.0979658317246e-19, 4.61233007219286e-19, 4.0087100253333596e-19, 3.25576711618506e-19, 2.3101144014992395e-19, 1.1082992778629638e-19, -4.4576078746474803e-20, -2.4976972418079596e-19, -5.26172430548574e-19, -9.046818538011719e-19, -1.43019098322327e-18, -2.1711576220324198e-18]
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: 0.013162578250312132
Energy: 0.0139983364089325
Energy: 1.9505791784077722
Energy: 1.0838201322477814
Energy: 0.0139983364089325
Energy: 0.21825085239817707
Energy: 1.082789270230623
Energy: 0.21825085240011746
Energy: 1.950579178406802
Energy: 1.0827892702296529
Energy: 1.3123852606447715
Energy: 1.082789270230623
Energy: 1.0838201322497218
Energy: 0.21825085239817707
Energy: 1.0827892702296529
Energy: 0.21825085239914724

minimum gb energy = 0.013162578250312132 eV
minimum distance =  2.43968896272295 Angstroms
sigma value = 1


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

Energy: 2.1029246880092924
Energy: 1.0707206817594077
Energy: 1.2311059226252674
Energy: 1.2327450271219218
Energy: 1.9366953205225388
Energy: 0.9457267749941556
Energy: 0.9478057473863394
Energy: 0.9457267749941556
Energy: 1.9418153592687195
Energy: 0.9460434801633327
Energy: 0.9466768128761722
Energy: 0.9460434801609673
Energy: 1.9461740492063146
Energy: 0.9460034446279372
Energy: 0.9464177264124212
Energy: 0.9460034446291474
Energy: 1.9429010901589263
Energy: 0.9471965085342566
Energy: 1.2278302647957735
Energy: 0.9471965085342566
Energy: 1.9452285589397125
Energy: 0.9454008800189656
Energy: 1.2609945321434215
Energy: 0.9454008800189656
Energy: 1.6420754507430433
Energy: 0.9456467180564783
Energy: 1.2745605966029592
Energy: 0.9456467180564783
Energy: 1.6446783434532855
Energy: 0.94560048175336
Energy: 1.2757438755948558
Energy: 0.94560048175336
Energy: 1.6285056278898817
Energy: 0.9465767480778399
Energy: 1.2751981756128992
Energy: 0.9465767480790501
Energy: 1.6526671813779885
Energy: 1.013865397822309
Energy: 1.6483787077170364
Energy: 1.0138653978247296
Energy: 1.5985968934173054
Energy: 0.9458920392582563
Energy: 1.551321710005104
Energy: 0.9458920392606769
Energy: 1.2737344495324048
Energy: 0.9458468538638796
Energy: 1.6469012677116441
Energy: 0.9458468538638796
Energy: 1.3387730221175607
Energy: 0.9454565891068641
Energy: 1.6427016365464977
Energy: 0.9454565891080744
Energy: 1.2623195111962469
Energy: 0.9462669294838945
Energy: 1.9456898879701243
Energy: 0.9462669294851046
Energy: 1.262167308734163
Energy: 0.9472585774504834
Energy: 1.7285251805072055
Energy: 0.9472585774480629
Energy: 0.9463377735703477
Energy: 0.9465483383837516
Energy: 1.9419355675371683
Energy: 0.9465483383837516
Energy: 0.9463983900773538
Energy: 0.946114155650442
Energy: 1.9473842270024853
Energy: 0.9461141556516522
Energy: 0.9690409218649513
Energy: 0.9537899697444956
Energy: 1.9438268720464493
Energy: 0.9537899697432852
Energy: 0.9462053780880256
Energy: 0.9470804923507448
Energy: 1.832992018787463
Energy: 0.9470804923507448
Energy: 1.0737855098755198
Energy: 0.9457516399179259
Energy: 1.94415892656865
Energy: 0.945751639919136
Energy: 1.0629807381066416
Energy: 0.9462034672534694
Energy: 1.9441553373752654
Energy: 0.9462034672534694
Energy: 1.0630659226926746
Energy: 0.9461567990906601
Energy: 1.8416608750606482
Energy: 0.9461567990918703
Energy: 1.0732872043051298
Energy: 0.9471544392259603
Energy: 1.6429236431896694
Energy: 0.9471544392235399
Energy: 1.4667474852266784
Energy: 0.9461264686883099
Energy: 1.8378282247801685
Energy: 0.9461264686883099
Energy: 1.4611700365354732
Energy: 1.110964530159684
Energy: 1.8348402617247859
Energy: 1.110964530159684
Energy: 1.460328104528227
Energy: 1.0149970350591013
Energy: 1.4618679968383081
Energy: 1.0149970350591013
Energy: 1.4647878591394867
Energy: 1.0145274329536418
Energy: 1.461734263683107
Energy: 1.0145274329536418
Energy: 1.83710451740271
Energy: 0.9461547436068628
Energy: 1.4611532605690372
Energy: 0.946154743608073
Energy: 1.729478964427992
Energy: 0.9462280252010594
Energy: 1.4646398042125257
Energy: 0.9462280252034799
Energy: 1.7289286343685126
Energy: 0.9459835054300338
Energy: 1.0627675861013959
Energy: 0.945983505431244
Energy: 1.8375656569647836
Energy: 0.94605133136858
Energy: 1.073554387077734
Energy: 0.94605133136858
Energy: 1.941394823393067
Energy: 0.9464282600523194
Energy: 1.0494172548229512
Energy: 0.9464282600535295
Energy: 1.9423674667953599
Energy: 0.9466294555995268
Energy: 1.0510106333813893
Energy: 0.9466294555983166

minimum gb energy = 0.9454008800189656 eV
minimum distance =  2.37162794102875 Angstroms
sigma value = 1


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

Energy: 2.33281186718256
Energy: 1.1631451125460235
Energy: 0.9891406191472703
Energy: 0.9879418036981913
Energy: 1.8653796130803448
Energy: 0.9886565070339061
Energy: 0.9883161967785171
Energy: 0.9886565070339061
Energy: 1.8826015903344169
Energy: 0.987917703726196
Energy: 0.9871195266452657
Energy: 0.987917703726196
Energy: 1.884321713741293
Energy: 0.9881657941068224
Energy: 0.9885382113140648
Energy: 0.9881657941068224
Energy: 1.9665582678622928
Energy: 0.9892417644382993
Energy: 1.0273921144272962
Energy: 0.9892417644382993
Energy: 1.8844568165548707
Energy: 0.9889203011644176
Energy: 1.2314951169228099
Energy: 0.9889203011644176
Energy: 1.6750342045486644
Energy: 0.9890088598063653
Energy: 1.2348991792243325
Energy: 0.9890088598077452
Energy: 1.6759538391215483
Energy: 1.071460556673098
Energy: 1.2491202414366633
Energy: 1.071460556673098
Energy: 1.6650329099913115
Energy: 0.9882509621840476
Energy: 1.2482282724417617
Energy: 0.9882509621840476
Energy: 1.6751566626405598
Energy: 1.0712963021766904
Energy: 1.663476838965308
Energy: 1.0712963021766904
Energy: 1.5273695325768732
Energy: 0.9882959511521726
Energy: 1.4490939963408251
Energy: 0.9882959511507926
Energy: 1.2340975203725861
Energy: 0.9908217888747748
Energy: 1.4514545121263003
Energy: 0.9908217888747748
Energy: 1.294505952154892
Energy: 1.0713398529127338
Energy: 1.6650427030596695
Energy: 1.0713398529113538
Energy: 1.218221806383109
Energy: 0.9878844076973772
Energy: 1.8844602749507395
Energy: 0.9878844076987571
Energy: 1.2182631157558432
Energy: 0.9884409007743518
Energy: 1.86575756156952
Energy: 0.9884409007757317
Energy: 0.9884715258793256
Energy: 0.9884861899413642
Energy: 1.8649613459701062
Energy: 0.9884861899413642
Energy: 0.9874909489436035
Energy: 0.988035323924786
Energy: 1.8828909258510809
Energy: 0.9880353239261658
Energy: 0.9873238245277647
Energy: 0.9880440001638573
Energy: 1.8840876839891254
Energy: 0.9880440001638573
Energy: 0.9883972156215113
Energy: 0.9888903638150841
Energy: 1.6613370805787369
Energy: 0.9888903638150841
Energy: 1.2322291768840108
Energy: 0.9882766879051996
Energy: 1.8844638970280028
Energy: 0.9882766879051996
Energy: 1.233901157844325
Energy: 0.9874417486272623
Energy: 1.882662505275404
Energy: 0.9874417486272623
Energy: 1.2488420100863438
Energy: 1.070778527939643
Energy: 1.6754135071313263
Energy: 1.070778527939643
Energy: 1.2483406189493733
Energy: 0.9884380402976233
Energy: 1.665952550111753
Energy: 0.9884380402976233
Energy: 1.664009144930322
Energy: 1.071680621653892
Energy: 1.6758739768371536
Energy: 1.0716806216525434
Energy: 1.4493310249354803
Energy: 0.9885895315146854
Energy: 1.6761896957136035
Energy: 0.9885895315133055
Energy: 1.449168377272529
Energy: 0.9897720777110228
Energy: 1.2192062887219892
Energy: 0.9897720777124028
Energy: 1.6656882724459714
Energy: 1.071614898903519
Energy: 1.2933175495910318
Energy: 1.071614898903519
Energy: 1.884039343042177
Energy: 0.9875985088553959
Energy: 1.2193003591260496
Energy: 0.9875985088567758
Energy: 1.866523566361201
Energy: 0.9886721377899259
Energy: 1.2190343195094928
Energy: 0.9886721377926856

minimum gb energy = 0.9871195266452657 eV
minimum distance =  2.38159807861684 Angstroms
sigma value = 25


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

Energy: 2.222369904163317
Energy: 1.1760720700113576
Energy: 1.529413986357146
Energy: 1.0606395938143642
Energy: 1.7850330773663796
Energy: 1.095678029177623
Energy: 1.060299994618951
Energy: 1.0956780291888517
Energy: 1.8013248668659243
Energy: 1.0609844521949054
Energy: 1.059371451290119
Energy: 1.0609844521949054
Energy: 1.8023572698736678
Energy: 1.0608019666611435
Energy: 1.060530413406942
Energy: 1.0608019666595394
Energy: 2.00654528613573
Energy: 1.0609170262989496
Energy: 1.5048508479055946
Energy: 1.0609170262973455
Energy: 1.8021631551373338
Energy: 1.0866911043494714
Energy: 1.4378817649791402
Energy: 1.0866911043494714
Energy: 1.8026302270460448
Energy: 1.151909117650815
Energy: 1.4709743998704454
Energy: 1.1519091176492107
Energy: 1.4656697169700514
Energy: 1.1525167391215854
Energy: 1.4703038984811079
Energy: 1.152516739115169
Energy: 1.4707871985942569
Energy: 1.1522084209594374
Energy: 1.4661887398213829
Energy: 1.1522084209594374
Energy: 1.4434789119959226
Energy: 1.060298000717683
Energy: 1.8028040953107183
Energy: 1.0602980007160787
Energy: 1.4133562307765817
Energy: 1.0607671361506048
Energy: 1.8060418556297655
Energy: 1.0607671361506048
Energy: 1.0601696533756642
Energy: 1.060149396770521
Energy: 1.805366097354615
Energy: 1.0601493967689168
Energy: 1.0592139351488201
Energy: 1.0608340145567878
Energy: 1.8008096043537343
Energy: 1.0608340145551836
Energy: 1.0950649326444473
Energy: 1.060678374503627
Energy: 1.8023157697131071
Energy: 1.060678374503627
Energy: 1.0622532974486687
Energy: 1.0608986285276882
Energy: 1.691036560468221
Energy: 1.0608986285276882
Energy: 1.1890312478315626
Energy: 1.0606562346784525
Energy: 1.7989946593099606
Energy: 1.0606562346784525
Energy: 1.2154967134476724
Energy: 1.0601604849995616
Energy: 1.8024961301632345
Energy: 1.0601604849995616
Energy: 1.216171969426605
Energy: 1.0602516624526617
Energy: 1.6892064462239336
Energy: 1.0602516624526617
Energy: 1.2497613906348133
Energy: 1.061389665526626
Energy: 1.602869746688239
Energy: 1.061389665526626
Energy: 1.689018814532079
Energy: 1.1544772419089904
Energy: 1.6896783999666507
Energy: 1.1544772419105946
Energy: 1.5680032240379866
Energy: 1.0602583564375376
Energy: 1.689523614470802
Energy: 1.0602583564375376
Energy: 1.5766193957824528
Energy: 1.0606997371805853
Energy: 1.2175873333387313
Energy: 1.0606997371821894
Energy: 1.6900687574940656
Energy: 1.0604020943890635
Energy: 1.2368373973365858
Energy: 1.0604020943890635
Energy: 1.802742577273923
Energy: 1.0605130897933468
Energy: 1.2744611989055281
Energy: 1.0605130897933468
Energy: 1.8038348741280643
Energy: 1.060930697442336
Energy: 1.189815117881805
Energy: 1.060930697442336

minimum gb energy = 1.0592139351488201 eV
minimum distance =  2.36796616097721 Angstroms
sigma value = 9


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

Energy: 1.9954498603196322
Energy: 1.280721916377446
Energy: 1.1063186531946467
Energy: 1.1068456252914183
Energy: 1.6644365581636245
Energy: 1.1921662191825269
Energy: 1.1090958621819906
Energy: 1.1921662191727633
Energy: 1.695201030751804
Energy: 1.1066919169012164
Energy: 1.1048329964947543
Energy: 1.1066919168964324
Energy: 1.6957134940865608
Energy: 1.1928775540856096
Energy: 1.1066215828721129
Energy: 1.1928775540865664
Energy: 1.5403547885242046
Energy: 1.1104077918981918
Energy: 1.107674931957692
Energy: 1.1104077918979962
Energy: 1.6958796904907314
Energy: 1.1065605103224478
Energy: 1.3867133633611235
Energy: 1.106560510327232
Energy: 1.695588091361253
Energy: 1.2330823225766465
Energy: 1.0898180999278246
Energy: 1.2330823225770162
Energy: 1.4875000338378517
Energy: 1.2306494308853033
Energy: 1.4245488853601518
Energy: 1.2306494308824327
Energy: 1.4284079276774349
Energy: 1.2328773770086345
Energy: 1.4282861583479882
Energy: 1.232877377008243
Energy: 1.3875410193058249
Energy: 1.1090374462055035
Energy: 1.6960825088407172
Energy: 1.109037446205699
Energy: 1.2038006229209117
Energy: 1.1094964121089252
Energy: 1.6645533181704657
Energy: 1.1094964121083597
Energy: 1.104271481992984
Energy: 1.1059820497250599
Energy: 1.6648357841172088
Energy: 1.1059820497296482
Energy: 1.105991384124977
Energy: 1.1068297224339212
Energy: 1.6949982288009176
Energy: 1.106829722435248
Energy: 1.105843570551714
Energy: 1.106723858162995
Energy: 1.6956965599517029
Energy: 1.106723858162995
Energy: 1.1088678130073504
Energy: 1.1095890760943254
Energy: 1.5405249893897472
Energy: 1.1095890760943254
Energy: 1.3864721189345324
Energy: 1.3481938608917872
Energy: 1.6961206006082559
Energy: 1.3481938608917872
Energy: 1.090019094158608
Energy: 1.2325824381847903
Energy: 1.6951644485000155
Energy: 1.2325824381846162
Energy: 1.0901233977046476
Energy: 1.2296385531879945
Energy: 1.4866038712387057
Energy: 1.2296385531902996
Energy: 1.4279585790975489
Energy: 1.2332411046800276
Energy: 1.5500084309110114
Energy: 1.2332411046800276
Energy: 1.6959963746932656
Energy: 1.230416415430719
Energy: 1.4870286173245475
Energy: 1.2304164154301538
Energy: 1.6649383759315077
Energy: 1.1093104665152191
Energy: 1.3855717272481116
Energy: 1.109310466515415

minimum gb energy = 1.0898180999278246 eV
minimum distance =  2.38514276888444 Angstroms
sigma value = 25


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

Energy: 1.7703628838868268
Energy: 1.2696179776450336
Energy: 1.2187424742271442
Energy: 1.218555718423545
Energy: 1.5106504689583875
Energy: 1.2377561823839986
Energy: 1.2366866795639655
Energy: 1.2377561823835415
Energy: 1.5753946719251273
Energy: 1.2185766393477533
Energy: 1.2177322698779531
Energy: 1.2185766393477533
Energy: 1.5845590815564135
Energy: 1.2233264117554605
Energy: 1.222180112382139
Energy: 1.2233264117545193
Energy: 1.4905543013122637
Energy: 1.2183204036054867
Energy: 1.5266750429902074
Energy: 1.2183204036085524
Energy: 1.5760889102689732
Energy: 1.2196297828255556
Energy: 1.5762841976242505
Energy: 1.2196297828260128
Energy: 1.5246438692189808
Energy: 1.2211546389964547
Energy: 1.6349390943554496
Energy: 1.2211546389964547
Energy: 1.2233736983514691
Energy: 1.2243243028506263
Energy: 1.6324482708269328
Energy: 1.2243243028506263
Energy: 1.222976258565517
Energy: 1.2191504467794532
Energy: 1.5748915173453868
Energy: 1.2191504467803944
Energy: 1.2402558313304106
Energy: 1.2190908327592644
Energy: 1.5849395101067811
Energy: 1.2190908327595067
Energy: 1.2213504769240728
Energy: 1.2195636427420218
Energy: 1.584773516163833
Energy: 1.2195636427410805
Energy: 1.4288653034221708
Energy: 1.2374532953918242
Energy: 1.5846790086401337
Energy: 1.2374532953915822
Energy: 1.4386024294034927
Energy: 1.2200061770362949
Energy: 1.5855922436487258
Energy: 1.2200061770362949
Energy: 1.4383661457178425
Energy: 1.3146551092466259
Energy: 1.442133505511757
Energy: 1.3146551092456846
Energy: 1.4534889867425838
Energy: 1.217761003682401
Energy: 1.4953290628681946
Energy: 1.21776100368146
Energy: 1.5249925702257072
Energy: 1.3147697879709859
Energy: 1.453612979996361
Energy: 1.3147697879698026
Energy: 1.5105223008695574
Energy: 1.2182230414239639
Energy: 1.3774750798385185
Energy: 1.2182230414232647

minimum gb energy = 1.2177322698779531 eV
minimum distance =  2.35473240625301 Angstroms
sigma value = 17


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

Energy: 2.3893428144794098
Energy: 1.2642076531110609
Energy: 1.2579323544324126
Energy: 1.2560159485331994
Energy: 1.4793193370628042
Energy: 1.2567181838523704
Energy: 1.4336901054338402
Energy: 1.2567181838523704
Energy: 1.518614686443876
Energy: 1.2584954197330858
Energy: 1.2573070442223888
Energy: 1.2584954197330858
Energy: 1.5064761410498007
Energy: 1.2514150256611183
Energy: 1.250730711903128
Energy: 1.2514150256584375
Energy: 1.50510596174688
Energy: 1.341263084816529
Energy: 1.4874947633907345
Energy: 1.3412630848178693
Energy: 1.5164406122035703
Energy: 1.3217683259158612
Energy: 1.4926472745010535
Energy: 1.3217683259185418
Energy: 1.4140095795593783
Energy: 1.2517754121256146
Energy: 1.4950353877959368
Energy: 1.2517754121256146
Energy: 1.3105320102007982
Energy: 1.323718544192622
Energy: 1.499477001372369
Energy: 1.3237185441912815
Energy: 1.27289949061022
Energy: 1.2513346623252994
Energy: 1.4855611337176924
Energy: 1.2513346623252994
Energy: 1.260211646029025
Energy: 1.2511688747460703
Energy: 1.493109411761944
Energy: 1.25116887474473
Energy: 1.2961111264391485
Energy: 1.3665273225670072
Energy: 1.5015986944283248
Energy: 1.3665273225683474
Energy: 1.4960515167813846
Energy: 1.2534841007704909
Energy: 1.492098630584746
Energy: 1.2534841007691506
Energy: 1.4976315258279858
Energy: 1.2617997707958806
Energy: 1.4955916754790637
Energy: 1.2617997707958806
Energy: 1.4975653242841303
Energy: 1.252987118193597
Energy: 1.2597717377223099
Energy: 1.2529871181949372
Energy: 1.4857871621294518
Energy: 1.2511950555332583
Energy: 1.2599537676749024
Energy: 1.2511950555345985
Energy: 1.4857016307159352
Energy: 1.251058342776408
Energy: 1.2880629398284467
Energy: 1.251058342776408
Energy: 1.5136201310579238
Energy: 1.2496480425318706
Energy: 1.2580015093009471
Energy: 1.2496480425318706
Energy: 1.5004043840985437
Energy: 1.274432303042236
Energy: 1.445364683046109
Energy: 1.274432303042236
Energy: 1.4861021263434406
Energy: 1.3325896634794794
Energy: 1.4996252023253698
Energy: 1.3325896634808196
Energy: 1.2786657443397142
Energy: 1.3419678082987034
Energy: 1.5772377982936976
Energy: 1.3419678082973632
Energy: 1.2500837001574612
Energy: 1.258628763917874
Energy: 1.4987829595587692
Energy: 1.258628763917874
Energy: 1.2763300322647573
Energy: 1.2584586347419455
Energy: 1.5171233731376639
Energy: 1.258458634743286
Energy: 1.3239964197632472
Energy: 1.3061741481363724
Energy: 1.4927697416180727
Energy: 1.3061741481363724
Energy: 1.3285505162414701
Energy: 1.2610175947780151
Energy: 1.512490426359076
Energy: 1.2610175947766749
Energy: 1.3950934790637162
Energy: 1.3370994172442219
Energy: 1.5003655033946337
Energy: 1.3370994172428816
Energy: 1.3821178857183356
Energy: 1.2572101357558698
Energy: 1.5322296986362554
Energy: 1.2572101357572099
Energy: 1.3962816574237966
Energy: 1.336558628657807
Energy: 1.386457718429855
Energy: 1.336558628657807
Energy: 1.5169434566210844
Energy: 1.2564841036446843
Energy: 1.3830330807171407
Energy: 1.2564841036446843
Energy: 1.5179584884807167
Energy: 1.2569106047819343
Energy: 1.526875152522306
Energy: 1.2569106047832745
Energy: 1.5206772922956582
Energy: 1.2608419334854681
Energy: 1.3300512548803758
Energy: 1.2608419334827876

minimum gb energy = 1.2496480425318706 eV
minimum distance =  2.34697810165979 Angstroms
sigma value = 53


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

Energy: 1.1549508756333373
Energy: 1.168915018703665
Energy: 1.1984381103586537
Energy: 1.706575872892665
Energy: 1.1585170135638199
Energy: 1.1870988905100484
Energy: 1.2924799089051697
Energy: 1.1870988905100484
Energy: 1.4398695983420557
Energy: 1.201290673540939
Energy: 1.1999942136054356
Energy: 1.2012906735433935
Energy: 1.4422365091953633
Energy: 1.2105108889643885
Energy: 1.293937295063928
Energy: 1.2105108889650196
Energy: 1.1959530202492779
Energy: 1.1869307494200312
Energy: 1.2934359394116466
Energy: 1.1869307494237127
Energy: 1.4416555964693563
Energy: 1.1850574702932486
Energy: 1.2938022795801671
Energy: 1.1850574702926524
Energy: 1.2931538625090606
Energy: 1.204940424853525
Energy: 1.1593286459307977
Energy: 1.2049404248559792
Energy: 1.2945949308488718
Energy: 1.1892503357518425
Energy: 1.1600057661024217
Energy: 1.189250335753385
Energy: 1.2893894098457865
Energy: 1.189263601237419
Energy: 1.293359048911801
Energy: 1.189263601238015
Energy: 1.290711898374772
Energy: 1.1849717960173498
Energy: 1.4423862234904603
Energy: 1.1849717960167185
Energy: 1.2884453192569352
Energy: 1.1863571789060756
Energy: 1.1955874986641672
Energy: 1.18635717890299
Energy: 1.2938210291224226
Energy: 1.1869075203820827
Energy: 1.4418794302469053
Energy: 1.1869075203771737
Energy: 1.1599429783183284
Energy: 1.2019327930812493
Energy: 1.2921592025282536
Energy: 1.2019327930834232

minimum gb energy = 1.1549508756333373 eV
minimum distance =  2.34974256743623 Angstroms
sigma value = 9


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

Energy: 1.863729752216761
Energy: 1.4192663174558517
Energy: 1.8620813421093427
Energy: 1.4234277900401457
Energy: 1.5611318136116068
Energy: 1.3738954812312558
Energy: 1.5343166713690397
Energy: 1.3738954812312558
Energy: 1.374775648051315
Energy: 1.3637028880760633
Energy: 1.3743663986081451
Energy: 1.3637028880760633
Energy: 1.3732815390607023
Energy: 1.3634833167837122
Energy: 1.3713607964895473
Energy: 1.3634833167859963
Energy: 1.3686541402730987
Energy: 1.3629109103095538
Energy: 1.3756004595177738
Energy: 1.362910910310696
Energy: 1.5126399110771562
Energy: 1.3723811730636502
Energy: 1.4620683497656883
Energy: 1.3723811730625082
Energy: 1.5534055077521483
Energy: 1.5034171051170857
Energy: 1.6454883758083483
Energy: 1.5034171051182277
Energy: 1.5940414882947276
Energy: 1.372219794180955
Energy: 1.644654169275248
Energy: 1.3722197941843812
Energy: 1.5513522229634873
Energy: 1.3130400305450471
Energy: 1.4631531858915408
Energy: 1.3130400305461891
Energy: 1.4253724968639403
Energy: 1.4139495526908734
Energy: 1.3109091148302943
Energy: 1.4139495526748853
Energy: 1.5808398752188098
Energy: 1.311564630770156
Energy: 1.3088776960291406
Energy: 1.311564630770156
Energy: 1.580991166526336
Energy: 1.3871398273178543
Energy: 1.3842292711863633
Energy: 1.3871398273178543
Energy: 1.6460507253311472
Energy: 1.4381989747361483
Energy: 1.4379014051916144
Energy: 1.4381989747384325
Energy: 1.6476867048854553
Energy: 1.393448044386863
Energy: 1.5636369116444881
Energy: 1.393448044386863
Energy: 1.5808426877482127
Energy: 1.3889442445734983
Energy: 1.6698317688189728
Energy: 1.3889442445746403
Energy: 1.4614064309083792
Energy: 1.44172983122868
Energy: 1.6538937309647628
Energy: 1.441729831227538
Energy: 1.323298406225383
Energy: 1.3240089719819002
Energy: 1.6548122033540866
Energy: 1.3240089719853265
Energy: 1.3519917727883612
Energy: 1.395803396730647
Energy: 1.5938806555462997
Energy: 1.395803396730647
Energy: 1.3663949167058018
Energy: 1.397833027163493
Energy: 1.6503609424689085
Energy: 1.397833027166919
Energy: 1.3615095151835523
Energy: 1.4507196286983326
Energy: 1.6523603256102715
Energy: 1.4507196286994746
Energy: 1.5689459644870176
Energy: 1.3797211979305581
Energy: 1.6110126578281911
Energy: 1.379721197935126
Energy: 1.6419710276302408
Energy: 1.3727427545498976
Energy: 1.5691035877176744
Energy: 1.3727427545498976
Energy: 1.6425606586202008
Energy: 1.3669196528407261
Energy: 1.3633466943401176
Energy: 1.3669196528373002
Energy: 1.6219018352396837
Energy: 1.3810063797877121
Energy: 1.3685222363364635
Energy: 1.3810063797877121
Energy: 1.6829874416187671
Energy: 1.3878073994100082
Energy: 1.32244239495852
Energy: 1.3878073994088662
Energy: 1.5407160673573692
Energy: 1.4445610417665264
Energy: 1.324761791248438
Energy: 1.4445610417665264
Energy: 1.6577875486887075
Energy: 1.3244543491412157
Energy: 1.5822025331931262
Energy: 1.3244543491435
Energy: 1.665191979288293
Energy: 1.4161250350741779
Energy: 1.5650829404406386
Energy: 1.4161250350741779
Energy: 1.3927286884791845
Energy: 1.4422410193517397
Energy: 1.6398517088104605
Energy: 1.4422410193528818
Energy: 1.4360899694732505
Energy: 1.386211392632021
Energy: 1.5797015947943474
Energy: 1.3862113926308788
Energy: 1.3109631710817884
Energy: 1.3720356368115116
Energy: 1.564541790258965
Energy: 1.3720356368137956
Energy: 1.3116205371174863
Energy: 1.3122615047888475
Energy: 1.5583878187164117
Energy: 1.3122615047888475
Energy: 1.423232596034743
Energy: 1.414896745609087
Energy: 1.5417872064080482
Energy: 1.414896745609087
Energy: 1.462667684339759
Energy: 1.3717643534376713
Energy: 1.632658801012113
Energy: 1.3717643534365291
Energy: 1.639864376357135
Energy: 1.52185411717562
Energy: 1.4846715659234277
Energy: 1.5218541171847564

minimum gb energy = 1.3088776960291406 eV
minimum distance =  2.29636957517025 Angstroms
sigma value = 73


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

Energy: 1.8979475232637948
Energy: 1.4548429258933362
Energy: 1.4726473251032033
Energy: 1.4707876269683695
Energy: 1.6519380847166405
Energy: 1.4422332023610196
Energy: 1.5238655123860583
Energy: 1.4422332023613904
Energy: 1.414414806293165
Energy: 1.3914970746761983
Energy: 1.44255279831664
Energy: 1.3914970746763837
Energy: 1.4130844935067177
Energy: 1.3909499758516708
Energy: 1.411811667338587
Energy: 1.3909499758507649
Energy: 1.4084010950505028
Energy: 1.3900353775114187
Energy: 1.4436194162922802
Energy: 1.390035377511254
Energy: 1.521691569978991
Energy: 1.3933313735477897
Energy: 1.5383635805711653
Energy: 1.393331373550693
Energy: 1.5241726902726935
Energy: 1.531476938008835
Energy: 1.7441198540184164
Energy: 1.5314769380106472
Energy: 1.6786699476826856
Energy: 1.4449683073299873
Energy: 1.7436414479921902
Energy: 1.4449683073345172
Energy: 1.667750847527424
Energy: 1.3257016906126644
Energy: 1.5175021334159333
Energy: 1.325701690611038
Energy: 1.4910302677821718
Energy: 1.4067212425533164
Energy: 1.3259624687089324
Energy: 1.406721242551319
Energy: 1.6674269267917565
Energy: 1.3257228847097773
Energy: 1.3213079165999138
Energy: 1.3257228847099627
Energy: 1.625056359906309
Energy: 1.4245852643641759
Energy: 1.381037287501297
Energy: 1.4245852643641759
Energy: 1.653229466619477
Energy: 1.3814575003112068
Energy: 1.3809316559505393
Energy: 1.381457500311392
Energy: 1.65330632021069
Energy: 1.3818595447453192
Energy: 1.650141311659253
Energy: 1.3818595447460607
Energy: 1.6776124048851166
Energy: 1.4527510753057236
Energy: 1.6505813478327538
Energy: 1.4527510753048178
Energy: 1.6443412500412729
Energy: 1.381763501841886
Energy: 1.8109628906951387
Energy: 1.3817635018424212
Energy: 1.3813670474190107
Energy: 1.3831050267371428
Energy: 1.8098645025663902
Energy: 1.3831050267376779
Energy: 1.3640500971939715
Energy: 1.4276171179325448
Energy: 1.6449403106001388
Energy: 1.4276171179329153
Energy: 1.3232177570487715
Energy: 1.3264583479309076
Energy: 1.681707302171543
Energy: 1.3264583479309076
Energy: 1.327114794993481
Energy: 1.4067731309614915
Energy: 1.6643460402097738
Energy: 1.406773130959865
Energy: 1.517746499491231
Energy: 1.3251540219092295
Energy: 1.6965083744386629
Energy: 1.3251540219088591
Energy: 1.8021951020557312
Energy: 1.4463695810100667
Energy: 1.5726765651959855
Energy: 1.446369581011158

minimum gb energy = 1.3213079165999138 eV
minimum distance =  2.32532132785259 Angstroms
sigma value = 7


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

Energy: 2.547778544438633
Energy: 1.5011189082498961
Energy: 1.6075339440259635
Energy: 1.6085431878635608
Energy: 1.6299310606913822
Energy: 1.432519737347503
Energy: 1.5175554413257646
Energy: 1.432519737347503
Energy: 1.4603862051582104
Energy: 1.4086971322798758
Energy: 1.4589091891229176
Energy: 1.4086971322798758
Energy: 1.459537050693592
Energy: 1.4184705578427363
Energy: 1.4537180626474904
Energy: 1.4184705578440173
Energy: 1.4567831082784672
Energy: 1.417322822133096
Energy: 1.477542821624711
Energy: 1.417322822134377
Energy: 1.5292356121425212
Energy: 1.40645538726131
Energy: 1.551232122216448
Energy: 1.4064553872625913
Energy: 1.5316620251963082
Energy: 1.5390106664806291
Energy: 1.7717491744327536
Energy: 1.5390106664806291
Energy: 1.6064079491600984
Energy: 1.4385547078039342
Energy: 1.7713483726429389
Energy: 1.4385547078039342
Energy: 1.572320239972044
Energy: 1.4207971591842405
Energy: 1.5506612122887735
Energy: 1.4207971591829596
Energy: 1.6658038176939198
Energy: 1.4779538567146215
Energy: 1.3899429222386928
Energy: 1.4779538567146215
Energy: 1.5712455919370856
Energy: 1.406588999584804
Energy: 1.3888628533052794
Energy: 1.4065889995873662
Energy: 1.617906308960893
Energy: 1.4304520824727676
Energy: 1.4178285205584698
Energy: 1.4304520824714864
Energy: 1.7407199379676632
Energy: 1.4200507410423635
Energy: 1.4179505307382154
Energy: 1.4200507410410828
Energy: 1.738016542506826
Energy: 1.448663932739116
Energy: 1.6683031167059397
Energy: 1.4486639327403974
Energy: 1.6698047608620659
Energy: 1.4730538999637486
Energy: 1.8148862625656383
Energy: 1.4730538999624672
Energy: 1.649389734237435
Energy: 1.3765925867009345
Energy: 1.7319167919467842
Energy: 1.376592586702216
Energy: 1.4888236869644942
Energy: 1.373099544049063
Energy: 1.731130937923934
Energy: 1.3730995440477818
Energy: 1.50892475114875
Energy: 1.450355507492275
Energy: 1.5832042647558964
Energy: 1.4503555074897125
Energy: 1.5193061139822235
Energy: 1.4371527618332935
Energy: 1.5025484522325223
Energy: 1.437152761834575
Energy: 1.517746828406227
Energy: 1.4492384885721106
Energy: 1.5029213340617178
Energy: 1.4492384885721106
Energy: 1.4696465654532263
Energy: 1.3505228700861853
Energy: 1.5377665923201074
Energy: 1.3505228700874665
Energy: 1.770358591229913
Energy: 1.5412282585610806
Energy: 1.540046681105841
Energy: 1.541228258563643
Energy: 1.7709247449084236
Energy: 1.5412478028176788
Energy: 1.6960979857360141
Energy: 1.5412478028163978
Energy: 1.4795929146853188
Energy: 1.351310880473613
Energy: 1.6817075885435764
Energy: 1.3513108804748941
Energy: 1.4870381951907194
Energy: 1.4540740960506886
Energy: 1.6651784993443244
Energy: 1.4540740960494076
Energy: 1.376977564072484
Energy: 1.3519101332711452
Energy: 1.6619600420565646
Energy: 1.351910133269864
Energy: 1.4064350185473593
Energy: 1.4745011008118212
Energy: 1.6219504915979737
Energy: 1.4745011008156648
Energy: 1.3710795833175953
Energy: 1.3706374706723532
Energy: 1.696067148150852
Energy: 1.3706374706736344
Energy: 1.3718758146428862
Energy: 1.4523059101307194
Energy: 1.729884603542216
Energy: 1.4523059101332818
Energy: 1.5592797147104747
Energy: 1.438923969736457
Energy: 1.7361492242154775
Energy: 1.4389239697069893
Energy: 1.6321424637209385
Energy: 1.4317245252313837
Energy: 1.7891048968105516
Energy: 1.4317245252326651

minimum gb energy = 1.3505228700861853 eV
minimum distance =  2.30925206900582 Angstroms
sigma value = 29


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

Energy: 1.757834574997843
Energy: 1.3657618132135518
Energy: 1.5247821831684623
Energy: 1.7801717495578493
Energy: 1.573799926070452
Energy: 1.322591194885515
Energy: 1.5143847593500945
Energy: 1.3225911948837794
Energy: 1.4860735749566567
Energy: 1.3213425233587128
Energy: 1.4206689468561327
Energy: 1.3213425233587128
Energy: 1.4228529220991608
Energy: 1.3201093379163706
Energy: 1.2182928475567387
Energy: 1.320109337915503
Energy: 1.4199248787849303
Energy: 1.3235231020870764
Energy: 1.4263226401345963
Energy: 1.3235231020862086
Energy: 1.4164450663652661
Energy: 1.319753715008977
Energy: 1.421416302257966
Energy: 1.319753715008977
Energy: 1.5178234027592132
Energy: 1.4191951324913454
Energy: 1.402305003321854
Energy: 1.4191951324913454
Energy: 1.516282250619543
Energy: 1.3231907243123882
Energy: 1.4836843813588934
Energy: 1.3231907243123882
Energy: 1.5747291699372747
Energy: 1.322848680087575
Energy: 1.538285405943654
Energy: 1.322848680088443

minimum gb energy = 1.2182928475567387 eV
minimum distance =  2.37506995009795 Angstroms
sigma value = 5


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

Energy: 1.7678969665392408
Energy: 1.6826982370288819
Energy: 1.7194598505166858
Energy: 1.860587591857362
Energy: 1.3181757112322439
Energy: 1.3068038771383201
Energy: 1.6554305060378172
Energy: 1.3068038771358996
Energy: 1.3030325414112995
Energy: 1.3058821042357414
Energy: 1.6491967698429366
Energy: 1.3058821042357414
Energy: 1.3007120255830265
Energy: 1.307899310677674
Energy: 1.5749921089568895
Energy: 1.3078993106788843
Energy: 1.3029953656671374
Energy: 1.3088030358770226
Energy: 1.5427922269366436
Energy: 1.3088030358770226
Energy: 1.3354936992868165
Energy: 1.3426402430283004
Energy: 1.514368620256111
Energy: 1.3426402430295106
Energy: 1.336531296568597
Energy: 1.3446155616884234
Energy: 1.5133471904526858
Energy: 1.3446155616896336
Energy: 1.3398735702498945
Energy: 1.3400767558722133
Energy: 1.5102176656539086
Energy: 1.3400767558722133
Energy: 1.4051964271449622
Energy: 1.3423460080691478
Energy: 1.5242728165770953
Energy: 1.342346008070358
Energy: 1.6427146429907276
Energy: 1.4865866301953137
Energy: 1.618569694959534
Energy: 1.4865866301928934
Energy: 1.3391377593359952
Energy: 1.3647756650116003
Energy: 1.539714621822413
Energy: 1.3647756650116003
Energy: 1.5402629066759732
Energy: 1.3403271483153172
Energy: 1.7135363488821662
Energy: 1.3403271483177377
Energy: 1.53097674807099
Energy: 1.4656444522948273
Energy: 1.7138852092526216
Energy: 1.4656444522984582
Energy: 1.4781023772475774
Energy: 1.3613814937135158
Energy: 1.3394832807527501
Energy: 1.3613814937135158
Energy: 1.5129381502327257
Energy: 1.3420459505992222
Energy: 1.3391867881296906
Energy: 1.342045950598012
Energy: 1.512686983802669
Energy: 1.340657180928875
Energy: 1.339630247482455
Energy: 1.3406571809276646
Energy: 1.4151153965728844
Energy: 1.343219967408554
Energy: 1.3418150554402406
Energy: 1.3432199674097642
Energy: 1.6483207598683742
Energy: 1.3059260472751393
Energy: 1.2983069420547573
Energy: 1.3059260472763496
Energy: 1.6503186367098
Energy: 1.3102046023446114
Energy: 1.3025620589296165
Energy: 1.3102046023434009
Energy: 1.665376930334643
Energy: 1.307153040884865
Energy: 1.303044727400167
Energy: 1.3071530408860754
Energy: 1.6554537151697517
Energy: 1.4219073782519298
Energy: 1.55159390145804
Energy: 1.4219073782543503
Energy: 1.6774060719913952
Energy: 1.4499238508533303
Energy: 1.5514228210015064
Energy: 1.4499238508521202
Energy: 1.5555280914296123
Energy: 1.3095793724937004
Energy: 1.4057833998784643
Energy: 1.3095793724937004
Energy: 1.7180746885070068
Energy: 1.3539320094018241
Energy: 1.4063075549206432
Energy: 1.353932009403034
Energy: 1.7177965608448669
Energy: 1.3056977465977948
Energy: 1.3530646234725727
Energy: 1.3056977466026358
Energy: 1.4024519643321525
Energy: 1.3626442392863352
Energy: 1.4024026014292943
Energy: 1.3626442392839146
Energy: 1.3998981584037882
Energy: 1.361408782277898
Energy: 1.4032508272623287
Energy: 1.361408782277898
Energy: 1.4030105687200158
Energy: 1.3591748508254748
Energy: 1.3996057434445976
Energy: 1.3591748508254748
Energy: 1.385380979212123
Energy: 1.429884395134029
Energy: 1.4037913192907288
Energy: 1.429884395134029
Energy: 1.352391238263995
Energy: 1.3526195148811033
Energy: 1.645623015161447
Energy: 1.3526195148811033
Energy: 1.406482461997693
Energy: 1.3526749578681687
Energy: 1.6457853865011256
Energy: 1.3526749578669586
Energy: 1.4059862682649336
Energy: 1.3114383153746731
Energy: 1.686789181506797
Energy: 1.3114383153783038
Energy: 1.3593930681830197
Energy: 1.605725339728573
Energy: 1.721830434665098
Energy: 1.605725339729783

minimum gb energy = 1.2983069420547573 eV
minimum distance =  2.25928325560575 Angstroms
sigma value = 1


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

Energy: 2.2813883657404985
Energy: 1.4107394213576536
Energy: 1.6186000629868065
Energy: 1.5724822072068991
Energy: 1.3323551946505747
Energy: 1.3493408197057604
Energy: 1.4742899646631047
Energy: 1.3493408197040868
Energy: 1.34989842710835
Energy: 1.340584850769767
Energy: 1.5700679655185037
Energy: 1.3405848507680937
Energy: 1.3458826975475102
Energy: 1.3416403932534073
Energy: 1.4309246013875694
Energy: 1.341640393251734
Energy: 1.3478709421797326
Energy: 1.3436684471724996
Energy: 1.5323962796508142
Energy: 1.3436684471724996
Energy: 1.355317871821867
Energy: 1.3406601057543273
Energy: 1.4456063558301302
Energy: 1.3406601057560006
Energy: 1.354200424647128
Energy: 1.3395455903959568
Energy: 1.6010750581691464
Energy: 1.3395455903942832
Energy: 1.3587398178481913
Energy: 1.337784908695877
Energy: 1.599618783867376
Energy: 1.337784908695877
Energy: 1.2617508287488421
Energy: 1.2813435971229439
Energy: 1.6063205346160234
Energy: 1.2813435971229439
Energy: 1.6097316149081597
Energy: 1.7916865096742451
Energy: 1.7692925687446135
Energy: 1.7916865096742451
Energy: 1.26261515205642
Energy: 1.2793021547774057
Energy: 1.5248300717177337
Energy: 1.2793021547757322
Energy: 1.2617575879794802
Energy: 1.2261126338280857
Energy: 1.6946803194434161
Energy: 1.2261126338280857
Energy: 1.2580933741907834
Energy: 1.2283343721434294
Energy: 1.695223089279678
Energy: 1.228334372141756
Energy: 1.2606591769755213
Energy: 1.2267323097774583
Energy: 1.3288723164889684
Energy: 1.2267323097774583
Energy: 1.430869304454005
Energy: 1.4445285528621885
Energy: 1.468332862251474
Energy: 1.444528552860515
Energy: 1.430745607992096
Energy: 1.286196693073166
Energy: 1.4745911136944763
Energy: 1.286196693073166
Energy: 1.463310744781552
Energy: 1.2876445210053795
Energy: 1.4214443812979694
Energy: 1.2876445210070528
Energy: 1.5859308676850299
Energy: 1.3464021197150255
Energy: 1.368020895041425
Energy: 1.3464021197133522
Energy: 1.5866902745843228
Energy: 1.3494265817206557
Energy: 1.3697193065740079
Energy: 1.3494265817223292
Energy: 1.5292134226329004
Energy: 1.3507385130102094
Energy: 1.3699496115307983
Energy: 1.3507385130102094
Energy: 1.5296727769132434
Energy: 1.3425803835014094
Energy: 1.609566510677379
Energy: 1.3425803835014094
Energy: 1.561720630342517
Energy: 1.3425484966680512
Energy: 1.6096015932035743
Energy: 1.3425484966680512
Energy: 1.561973073941422
Energy: 1.388560332689117
Energy: 1.4969099567377466
Energy: 1.3885603326907903
Energy: 1.5354171462219575
Energy: 1.4680211082212422
Energy: 1.4605032782216667
Energy: 1.4680211082212422

minimum gb energy = 1.2261126338280857 eV
minimum distance =  2.27638573316084 Angstroms
sigma value = 17


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

Energy: 2.0002532847399923
Energy: 1.6423196036707024
Energy: 1.7854162369637379
Energy: 1.7415992395776712
Energy: 1.2765372313705086
Energy: 1.3054950447708433
Energy: 1.4374113369926858
Energy: 1.3054950447708433
Energy: 1.2684547666134525
Energy: 1.2687892761817363
Energy: 1.6130218998422017
Energy: 1.2687892761817363
Energy: 1.2700892392236203
Energy: 1.2715110740958406
Energy: 1.6088339094099768
Energy: 1.2715110740917037
Energy: 1.2721157643837209
Energy: 1.2728958822121408
Energy: 1.3226103765007697
Energy: 1.272895882213175
Energy: 1.3640187648730067
Energy: 1.3038607060951988
Energy: 1.3633092114319985
Energy: 1.3038607060983018
Energy: 1.3618856071525467
Energy: 1.303763979238946
Energy: 1.3618116720604487
Energy: 1.3037639792410145
Energy: 1.3631776345522169
Energy: 1.3033864766758136
Energy: 1.360772381103692
Energy: 1.3033864766747796
Energy: 1.4758530322202004
Energy: 1.269938064805753
Energy: 1.2689366278742502
Energy: 1.2699380648078218
Energy: 1.5512077350793543
Energy: 1.2720681236728153
Energy: 1.2743969127355586
Energy: 1.2720681236697122
Energy: 1.4999341278147742
Energy: 1.2709660426605844
Energy: 1.2688125959963632
Energy: 1.2709660426595502
Energy: 1.6145024092041314
Energy: 1.3029792419665254
Energy: 1.496995593764341
Energy: 1.3029792419644568
Energy: 1.7785343783947714
Energy: 1.4080062468955477
Energy: 1.4968529007382607
Energy: 1.4080062468945134
Energy: 1.5011304252042486
Energy: 1.2743663093369055
Energy: 1.2690032533308804
Energy: 1.2743663093338025
Energy: 1.6057857436878513
Energy: 1.2700503889891481
Energy: 1.371191954118712
Energy: 1.2700503889881138
Energy: 1.6811762008348505
Energy: 1.2688776417666898
Energy: 1.3540102090995163
Energy: 1.2688776417646215
Energy: 1.3206182979375949
Energy: 1.3049406437344437
Energy: 1.4495085251166084
Energy: 1.304940643735478
Energy: 1.320184850235233
Energy: 1.3043005085727852
Energy: 1.443324948165415
Energy: 1.3043005085717512
Energy: 1.322793163057558
Energy: 1.3009566526884093
Energy: 1.4428749080990575
Energy: 1.3009566526884093
Energy: 1.3349001605679067
Energy: 1.363575299076032
Energy: 1.4595836856887663
Energy: 1.3635752990749979
Energy: 1.293288619719459
Energy: 1.2886266758637626
Energy: 1.5528848849245749
Energy: 1.288626675862728
Energy: 1.2924009896494462
Energy: 1.2899164297987986
Energy: 1.553203203276978
Energy: 1.2899164298039698
Energy: 1.2927417360507703
Energy: 1.2940379719570314
Energy: 1.2959104035583717
Energy: 1.2940379719570314
Energy: 1.6682953098807687
Energy: 1.369445426809001
Energy: 1.5344056104019623
Energy: 1.3694454268100351
Energy: 1.4989018054580105
Energy: 1.2885653172932494
Energy: 1.5634590715605088
Energy: 1.288565317295318
Energy: 1.5138869838427211
Energy: 1.2904054003939882
Energy: 1.2941878598171497
Energy: 1.290405400389851
Energy: 1.5740504625949492
Energy: 1.552235567535903
Energy: 1.6751118434555314
Energy: 1.552235567535903
Energy: 1.489378294516112
Energy: 1.28926695965477
Energy: 1.3054816125469895
Energy: 1.2892669596589073
Energy: 1.5578447224669532
Energy: 1.2895784150991714
Energy: 1.2923729231833938
Energy: 1.2895784151002057
Energy: 1.4950386080916318
Energy: 1.291693995519303
Energy: 1.2914686240652054
Energy: 1.2916939955172344
Energy: 1.4136492655119115
Energy: 1.2919791585592233
Energy: 1.2927326312450544
Energy: 1.2919791585581888
Energy: 1.4422266962769215
Energy: 1.3054293701817785
Energy: 1.3195522585443948
Energy: 1.30542937017971
Energy: 1.4433805975233316
Energy: 1.302902535892424
Energy: 1.321135911712576
Energy: 1.302902535895527
Energy: 1.4440311053465178
Energy: 1.3014566403580978
Energy: 1.3206036665677532
Energy: 1.3014566403560295
Energy: 1.3565166248372447
Energy: 1.270716228015554
Energy: 1.3203949246499858
Energy: 1.270716228015554
Energy: 1.366658399904373
Energy: 1.3685631377474965
Energy: 1.6447043384985132
Energy: 1.3685631377495648
Energy: 1.3716140909883752
Energy: 1.2706338522117888
Energy: 1.4993630299315637
Energy: 1.2706338522045486
Energy: 1.3032006071856135
Energy: 1.3035565810000322
Energy: 1.5810602309456347
Energy: 1.3035565810010667

minimum gb energy = 1.2684547666134525 eV
minimum distance =  2.28578195071159 Angstroms
sigma value = 89


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

Energy: 2.2230801825593094
Energy: 1.2166897536580303
Energy: 1.5419348701339017
Energy: 1.4840255199843764
Energy: 1.2396435143179776
Energy: 1.2313082941199394
Energy: 1.2319619700313809
Energy: 1.231308294120493
Energy: 1.2339131642894148
Energy: 1.2279940307386434
Energy: 1.3805080433237542
Energy: 1.227994030739443
Energy: 1.2289639515871094
Energy: 1.22904965305304
Energy: 1.380433608861558
Energy: 1.2290496530538702
Energy: 1.2334038939774798
Energy: 1.2415134066186118
Energy: 1.341074348451441
Energy: 1.2415134066188886
Energy: 1.3179704314246972
Energy: 1.2295332089243465
Energy: 1.3176076585522398
Energy: 1.2295332089241005
Energy: 1.318906266307241
Energy: 1.227132433309223
Energy: 1.3191189410648803
Energy: 1.2271324333084235
Energy: 1.3732382265928498
Energy: 1.2296696432252556
Energy: 1.3152308227241711
Energy: 1.2296696432241792
Energy: 1.3405922683644207
Energy: 1.2295835173461687
Energy: 1.2291557053802704
Energy: 1.229583517345615
Energy: 1.3407475964811029
Energy: 1.229602313824236
Energy: 1.2325641922380968
Energy: 1.2296023138237133
Energy: 1.2309070392802406
Energy: 1.23287628750525
Energy: 1.2349917276752633
Energy: 1.2328762875060495
Energy: 1.230734307536068
Energy: 1.227095086198677
Energy: 1.333578586850013
Energy: 1.2270950861984
Energy: 1.5073465444096523
Energy: 1.229201383570534
Energy: 1.3332514978735324
Energy: 1.229201383570257
Energy: 1.2332798020453848
Energy: 1.3253297017929548
Energy: 1.2342684931158383
Energy: 1.3253297017932315
Energy: 1.2395921853374414
Energy: 1.2282825323001925
Energy: 1.2335457235701388
Energy: 1.2282825322996698

minimum gb energy = 1.2166897536580303 eV
minimum distance =  2.30283631416848 Angstroms
sigma value = 13


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

Energy: 1.4444102183538465
Energy: 1.2540321729999322
Energy: 1.4125580178359076
Energy: 1.4269885549885017
Energy: 1.1945419087829188
Energy: 1.185558332927561
Energy: 1.1923134141177127
Energy: 1.1855583329286954
Energy: 1.1918487218571996
Energy: 1.1831644755726303
Energy: 1.408160867027208
Energy: 1.1831644755737645
Energy: 1.1881362431027607
Energy: 1.1825520274163366
Energy: 1.4014253471561624
Energy: 1.1825520274152022
Energy: 1.195385463816283
Energy: 1.1852672009832481
Energy: 1.2306950770322485
Energy: 1.1852672009832481
Energy: 1.3395358251684473
Energy: 1.1638162372040044
Energy: 1.2315994285533767
Energy: 1.1638162372051388
Energy: 1.3348058387895108
Energy: 1.1634572529190341
Energy: 1.2313708962486851
Energy: 1.1634572529190341
Energy: 1.3252427748612836
Energy: 1.1652108243108972
Energy: 1.2318571003016616
Energy: 1.1652108243108972
Energy: 1.3337543638080156
Energy: 1.1649473484448596
Energy: 1.2309927023738712
Energy: 1.1649473484448596
Energy: 1.3348636661490796
Energy: 1.164857379047389
Energy: 1.2277895265695515
Energy: 1.164857379047389
Energy: 1.3056100360089542
Energy: 1.1685924201516882
Energy: 1.2315738390822546
Energy: 1.1685924201539566
Energy: 1.18880024178629
Energy: 1.1820707202341953
Energy: 1.3132558455301189
Energy: 1.1820707202341953
Energy: 1.1916260050250758
Energy: 1.1815411653566552
Energy: 1.314275634404967
Energy: 1.181541165355521
Energy: 1.1919891246582432
Energy: 1.1889039478603647
Energy: 1.3157606861780933
Energy: 1.1889039478603647
Energy: 1.3119341787650187
Energy: 1.1822848033834468
Energy: 1.190623333576347
Energy: 1.182284803384581
Energy: 1.3113263387679168
Energy: 1.1820250349680874
Energy: 1.1918992495127563
Energy: 1.1820250349692216
Energy: 1.191493111732298
Energy: 1.1879879040693955
Energy: 1.1922474237058698
Energy: 1.1879879040682613
Energy: 1.1938377580910018
Energy: 1.1831294696716559
Energy: 1.3994280815978566
Energy: 1.1831294696716559
Energy: 1.19687573415686
Energy: 1.1833670608663296
Energy: 1.1948989773754297
Energy: 1.1833670608663296
Energy: 1.3141569872218806
Energy: 1.1855722565730387
Energy: 1.1919884986763685
Energy: 1.185572256574173
Energy: 1.4016657806483028
Energy: 1.1855555807086482
Energy: 1.1897031678089005
Energy: 1.1855555807086482
Energy: 1.2307190590756893
Energy: 1.2974453817847027
Energy: 1.191710440885123
Energy: 1.2974453817835685
Energy: 1.2361126204039083
Energy: 1.1649277526147113
Energy: 1.3345054467313786
Energy: 1.164927752613577
Energy: 1.2338693732681731
Energy: 1.1639959814303946
Energy: 1.2579403753956542
Energy: 1.1639959814303946
Energy: 1.2293792645473607
Energy: 1.1661976528196791
Energy: 1.325234675004607
Energy: 1.1661976528196791
Energy: 1.2281850869431594
Energy: 1.1678070302179224
Energy: 1.3280547657661808
Energy: 1.1678070302190566
Energy: 1.2299672083746485
Energy: 1.1658418229926395
Energy: 1.335392724039061
Energy: 1.1658418229926395
Energy: 1.2336678105593344
Energy: 1.1670889372148123
Energy: 1.33219537961528
Energy: 1.1670889372148123
Energy: 1.2310215638585398
Energy: 1.1835804974408488
Energy: 1.1896156094747379
Energy: 1.183580497441983
Energy: 1.331719465138846
Energy: 1.1828477282277041
Energy: 1.1927509733620847
Energy: 1.1828477282277041
Energy: 1.316040837206711
Energy: 1.1880634142196833
Energy: 1.1918487154151065
Energy: 1.1880634142185489
Energy: 1.1935760038647638
Energy: 1.1822857298263034
Energy: 1.310651127989288
Energy: 1.1822857298263034
Energy: 1.193140712967325
Energy: 1.182656642010558
Energy: 1.3110331888610371
Energy: 1.1826566420094238
Energy: 1.1937661332288458
Energy: 1.1884909542902238
Energy: 1.1916668890918323
Energy: 1.1884909542890894
Energy: 1.197176832404399
Energy: 1.1816758245564258
Energy: 1.1923194436086952
Energy: 1.18167582455756

minimum gb energy = 1.1634572529190341 eV
minimum distance =  2.3079067821925 Angstroms
sigma value = 37


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

Energy: 1.4560080650796863
Energy: 1.1904865158013436
Energy: 1.341622128956607
Energy: 1.344013291160318
Energy: 1.1345889058633174
Energy: 1.1377968807731706
Energy: 1.14000505611163
Energy: 1.137796880772971
Energy: 1.1404027000692436
Energy: 1.1352625397165665
Energy: 1.1346138322028858
Energy: 1.1352625397177196
Energy: 1.1372860822655628
Energy: 1.1332399566224711
Energy: 1.1328216885647941
Energy: 1.1332399566226707
Energy: 1.1404626812082146
Energy: 1.1449895600439064
Energy: 1.159750830518575
Energy: 1.1449895600440838
Energy: 1.2459420786731934
Energy: 1.0985286897230955
Energy: 1.1588445268785896
Energy: 1.0985286897226965
Energy: 1.2459793944236175
Energy: 1.097845639059458
Energy: 1.1584884359096295
Energy: 1.0978456390590812
Energy: 1.2444829452772823
Energy: 1.0828258081508502
Energy: 1.1589104213103112
Energy: 1.0828258081516264
Energy: 1.2134459958019284
Energy: 1.079426454059122
Energy: 1.2146154594555605
Energy: 1.0794264540595213
Energy: 1.2142983437785517
Energy: 1.0786690156363148
Energy: 1.2142103028068443
Energy: 1.0786690156361154
Energy: 1.2115663088075976
Energy: 1.1598161937299134
Energy: 1.242927364174128
Energy: 1.1598161937310887
Energy: 1.158786260756093
Energy: 1.0981678156139574
Energy: 1.2097012106212632
Energy: 1.098167815612605
Energy: 1.1583128376735286
Energy: 1.0981615178007404
Energy: 1.2096239195794862
Energy: 1.0981615178007404
Energy: 1.1591098600634429
Energy: 1.1027648700359196
Energy: 1.1405387665641982
Energy: 1.1027648700368953
Energy: 1.2025941846951524
Energy: 1.1322441337915627
Energy: 1.138936764535138
Energy: 1.1322441337903875
Energy: 1.216980176310299
Energy: 1.1331152873506278
Energy: 1.1404687333186168
Energy: 1.1331152873508274
Energy: 1.1395950638654124
Energy: 1.1455867822351002
Energy: 1.1407713219335986
Energy: 1.1455867822356989
Energy: 1.3661504039649048
Energy: 1.1385320457964472
Energy: 1.1318189649419774
Energy: 1.1385320457958485
Energy: 1.1404928403685721
Energy: 1.135219230476643
Energy: 1.1323052322699811
Energy: 1.1352192304760447
Energy: 1.1345889056565481
Energy: 1.1384653806226266
Energy: 1.139923299861927
Energy: 1.13846538062205

minimum gb energy = 1.0786690156361154 eV
minimum distance =  2.31370542512872 Angstroms
sigma value = 25


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

Energy: 1.2297655587605667
Energy: 1.0877041387353354
Energy: 1.2102329637779783
Energy: 1.227708583802577
Energy: 1.0435620317054968
Energy: 1.058944857494109
Energy: 1.050522653929843
Energy: 1.058944857494109
Energy: 1.0507699813860751
Energy: 1.0455661705081045
Energy: 1.060432983849532
Energy: 1.0455661705081045
Energy: 1.04986496433747
Energy: 1.0438698909871198
Energy: 1.0390108989888225
Energy: 1.043869890985596
Energy: 1.0600147892739373
Energy: 1.0272240641644568
Energy: 1.0595446662697878
Energy: 1.0272240641629329
Energy: 1.0433809617678318
Energy: 1.009128937119052
Energy: 1.0589683192019355
Energy: 1.009128937119052
Energy: 1.0435475050884304
Energy: 1.0092321676087286
Energy: 1.061505725222488
Energy: 1.009232167610218
Energy: 1.1198570743032692
Energy: 1.0017213097078514
Energy: 1.0718170771428341
Energy: 1.001721309712423
Energy: 1.0877391838344121
Energy: 0.979089064270495
Energy: 1.0706454453165997
Energy: 0.979089064270495
Energy: 1.0890535868294076
Energy: 0.9777741328155501
Energy: 1.157700480640398
Energy: 0.9777741328140264
Energy: 1.0867079659404932
Energy: 1.0489113190135677
Energy: 1.1567667798614953
Energy: 1.0489113190120438
Energy: 1.1310262054415923
Energy: 0.9671506951932789
Energy: 1.13107601094667
Energy: 0.9671506951948028
Energy: 1.1363081043735384
Energy: 0.968881718387066
Energy: 1.1313387891763669
Energy: 0.968881718387066
Energy: 1.1589644365848835
Energy: 0.9800410289182988
Energy: 1.098454790901968
Energy: 0.9800410289167749
Energy: 1.0702814538140148
Energy: 0.978825224982449
Energy: 1.0892291923121407
Energy: 0.9788252249809252
Energy: 1.0704343946906727
Energy: 0.9776346154258155
Energy: 1.0897806191230617
Energy: 0.9776346154105767
Energy: 1.064324356965642
Energy: 1.0277129453553313
Energy: 1.1174201032498368
Energy: 1.0277129453538072
Energy: 1.0605012921186485
Energy: 1.0089096899972785
Energy: 1.067477703855106
Energy: 1.0089096899972785
Energy: 1.0591097028170275
Energy: 1.0093793347942737
Energy: 1.0503836174722658
Energy: 1.0093793347927498
Energy: 1.0594624122922276
Energy: 1.0585852285684036
Energy: 1.0506350067975325
Energy: 1.0585852285684036
Energy: 1.0458698689565538
Energy: 1.0608667903424451
Energy: 1.0505510027629992
Energy: 1.0608667903424451
Energy: 1.0603986700102128
Energy: 1.0482494589326186
Energy: 1.050998098267869
Energy: 1.0482494589326186
Energy: 1.0509515181801667
Energy: 1.0455587305882723
Energy: 1.0559077808757868
Energy: 1.0455587305867482
Energy: 1.053827524163591
Energy: 1.0444412535466432
Energy: 1.0414341575292034
Energy: 1.0444412535466432
Energy: 1.0504192713749692
Energy: 1.0591389686674146
Energy: 1.0510062728253309
Energy: 1.0591389686674146
Energy: 1.0432730581912188
Energy: 1.044583979930832
Energy: 1.0511939357273599
Energy: 1.044583979930832

minimum gb energy = 0.9671506951932789 eV
minimum distance =  2.31210209940208 Angstroms
sigma value = 41


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

Energy: 1.134291041578292
Energy: 1.0032985710803102
Energy: 1.1046983989805026
Energy: 1.1172417921948028
Energy: 0.9675521224001921
Energy: 0.9413954157773049
Energy: 0.973151965180525
Energy: 0.9413954157748062
Energy: 0.9732155825980849
Energy: 0.9692358833437642
Energy: 0.9830504549729576
Energy: 0.9692358833450134
Energy: 0.9745822150711203
Energy: 0.967958009183877
Energy: 0.964054889200139
Energy: 0.967958009183877
Energy: 0.9786263702693028
Energy: 0.9501010338568087
Energy: 0.9773311926703608
Energy: 0.9501010338555592
Energy: 0.9670789602853792
Energy: 0.9348913826402407
Energy: 0.9772775263404262
Energy: 0.9348913826389913
Energy: 0.9672833808693971
Energy: 0.9365808445037229
Energy: 0.9790967421656985
Energy: 0.9365808445012244
Energy: 1.0213888974926362
Energy: 1.0052728892813092
Energy: 0.9926741829767934
Energy: 1.0052728892825584
Energy: 0.9988913166485884
Energy: 0.9050132110820203
Energy: 1.008834537239913
Energy: 0.9050132110820203
Energy: 0.9989279074766466
Energy: 0.9050252949092654
Energy: 1.0085481766226425
Energy: 0.9050252949105149
Energy: 1.014984962786567
Energy: 0.8879419194384941
Energy: 1.0579554780233715
Energy: 0.8879419194409927
Energy: 1.0101663558428489
Energy: 0.8880618204650575
Energy: 1.0282266696135631
Energy: 0.8880618204650575
Energy: 1.0305926029182173
Energy: 0.8876743987426113
Energy: 1.0290486203657823
Energy: 0.8876743987451099
Energy: 1.05271433913459
Energy: 0.8827870843519148
Energy: 1.0091137269212944
Energy: 0.8827870843519148
Energy: 1.027649045286256
Energy: 0.8819987012534398
Energy: 1.0279183567704475
Energy: 0.8819987012496918
Energy: 1.0628406825891792
Energy: 0.8827054991633384
Energy: 1.051500383603984
Energy: 0.8827054991633384
Energy: 1.024094629714925
Energy: 0.8878768393826034
Energy: 1.052793275771405
Energy: 0.8878768393851021
Energy: 1.0260578446841424
Energy: 0.8873052046552948
Energy: 1.0108851155138103
Energy: 0.8873052046565443
Energy: 1.0348129124183605
Energy: 0.8868367869097767
Energy: 1.0097844550600632
Energy: 0.8868367869097767
Energy: 1.0535478210822138
Energy: 0.9050790732341016
Energy: 1.0113333446713224
Energy: 0.9050790732316031
Energy: 0.9913128675137222
Energy: 0.9048674647802096
Energy: 0.9989496019225163
Energy: 0.9048674647802096
Energy: 0.9913424020360484
Energy: 0.9065937058456808
Energy: 1.022457475363579
Energy: 0.9065937058481794
Energy: 0.9794329248249876
Energy: 0.936304036961033
Energy: 1.022996894401721
Energy: 0.936304036961033
Energy: 0.9779571144591622
Energy: 0.9370451002534461
Energy: 0.9885412784286596
Energy: 0.9370451002546955
Energy: 0.9776556547999905
Energy: 0.9363459861204275
Energy: 0.9780809186064088
Energy: 0.9363459861191781
Energy: 1.015367917300004
Energy: 0.9670527293268996
Energy: 0.9752601289357147
Energy: 0.9670527293268996
Energy: 0.9697584667823905
Energy: 0.9674405889977064
Energy: 0.9798218669870529
Energy: 0.9674405889952075
Energy: 0.9774503267069732
Energy: 0.9932045171785386
Energy: 0.9734378498584478
Energy: 0.9932045171772892
Energy: 0.9768295972470843
Energy: 0.9672746982888827
Energy: 0.9676343382779767
Energy: 0.9672746982876335
Energy: 0.973023758295527
Energy: 0.9670883045784427
Energy: 0.9754856890888595
Energy: 0.9670883045809414
Energy: 0.9732468904360543
Energy: 0.9728764947334289
Energy: 0.9735744238933521
Energy: 0.9728764947309302
Energy: 0.9716058563071001
Energy: 0.9677170757418302
Energy: 0.9765917003198006
Energy: 0.9677170757418302

minimum gb energy = 0.8819987012496918 eV
minimum distance =  2.31695720899133 Angstroms
sigma value = 15


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

Energy: 1.0604257158913706
Energy: 0.9330786982370636
Energy: 1.017848533450496
Energy: 1.029306649512151
Energy: 0.9029194090997749
Energy: 0.8753788446793587
Energy: 0.9133640557488112
Energy: 0.8753788446793587
Energy: 0.9075158226402528
Energy: 0.9047141839866609
Energy: 0.9163498469211374
Energy: 0.9047141839898359
Energy: 0.9082285872685506
Energy: 0.9025861888869742
Energy: 0.9041356669015321
Energy: 0.902586188885916
Energy: 0.9112735219469021
Energy: 0.8861034331986982
Energy: 0.9101627875748001
Energy: 0.8861034331997566
Energy: 0.9389194763761453
Energy: 0.8740860973070735
Energy: 0.9177483191179584
Energy: 0.874086097304957
Energy: 0.936200776229167
Energy: 0.874153325910783
Energy: 0.9103043677697985
Energy: 0.8741533259065496
Energy: 0.9475468363933751
Energy: 0.9556639599713778
Energy: 0.9103123713018911
Energy: 0.9556639599724359
Energy: 0.926915443930571
Energy: 0.8459258949501302
Energy: 0.9146030662202309
Energy: 0.8459258949543635
Energy: 0.9255964642257332
Energy: 0.8457872100142583
Energy: 0.956201898499827
Energy: 0.8457872100142583
Energy: 0.9276427012364614
Energy: 0.8280205978536852
Energy: 0.9817269680180754
Energy: 0.8280205978536852
Energy: 0.9368903918161748
Energy: 0.8277572251767545
Energy: 0.9464357940731122
Energy: 0.8277572251767545
Energy: 0.9718635307524018
Energy: 0.8286676709468089
Energy: 0.9477854874440993
Energy: 0.8286676709468089
Energy: 0.9727848361702057
Energy: 0.8171754715489637
Energy: 0.9494421824580362
Energy: 0.8171754715447304
Energy: 0.9780246368816478
Energy: 0.8180003183206235
Energy: 0.9402997246091368
Energy: 0.8180003183206235
Energy: 0.9731538601106231
Energy: 0.819336042824523
Energy: 0.970008555937439
Energy: 0.8193360428255814
Energy: 0.9455554111599042
Energy: 0.8155509298681216
Energy: 0.9730363247448488
Energy: 0.8155509298638882
Energy: 0.9430587906303891
Energy: 0.8132874931607006
Energy: 0.9656221654980757
Energy: 0.8132874931585841
Energy: 0.9735063244412591
Energy: 0.8148420508010715
Energy: 0.9685559583274816
Energy: 0.8148420508031883
Energy: 0.9701928759299818
Energy: 0.8195332316180256
Energy: 0.9647466311022701
Energy: 0.819533231619084
Energy: 0.9397597823790064
Energy: 0.818456537708608
Energy: 0.9791733018741173
Energy: 0.8184565377096664
Energy: 0.9392539909044022
Energy: 0.8166901287617842
Energy: 0.9723457278732897
Energy: 0.8166901287586089
Energy: 0.9489108866321078
Energy: 0.8294470291890105
Energy: 0.9718541210953563
Energy: 0.829447029186894
Energy: 0.947047968684298
Energy: 0.8281311625668502
Energy: 0.9396754137735962
Energy: 0.8281311625647335
Energy: 0.9808091477943071
Energy: 0.828252288168337
Energy: 0.9282532355676484
Energy: 0.8282522881662202
Energy: 0.9739403436972398
Energy: 0.8462723584975087
Energy: 0.9244382334573317
Energy: 0.8462723584922169
Energy: 0.9374369967405548
Energy: 0.8463904330087556
Energy: 0.9261382084731591
Energy: 0.8463904330108724
Energy: 0.9242501444188186
Energy: 0.8473189889915629
Energy: 0.9470940720934429
Energy: 0.8473189889926214
Energy: 0.9104687481090185
Energy: 0.8742015165759729
Energy: 0.9230842236695982
Energy: 0.8742015165749146
Energy: 0.9164745066663096
Energy: 0.8738689232934016
Energy: 0.91995814286542
Energy: 0.8738689232912848
Energy: 0.9103495443586862
Energy: 0.920230055177803
Energy: 0.910258039525383
Energy: 0.9202300551809779
Energy: 0.9203951710529015
Energy: 0.9032472784906469
Energy: 0.9084765575038035
Energy: 0.9032472784874718
Energy: 0.9087429882399272
Energy: 0.9044808926052823
Energy: 0.9080790432572045
Energy: 0.9044808926031657
Energy: 0.9099053562508431
Energy: 0.8751082226444659
Energy: 0.9084004765627375
Energy: 0.8751082226391741
Energy: 1.0407153689408586
Energy: 1.0167105421400084
Energy: 0.9083965928668684
Energy: 1.0167105421378917
Energy: 0.907638590641697
Energy: 0.9044687414289359
Energy: 0.9092196642112539
Energy: 0.9044687414321109
Energy: 0.9136017617881289
Energy: 0.9046679139697696
Energy: 0.9078230214645281
Energy: 0.9046679139687113

minimum gb energy = 0.8132874931585841 eV
minimum distance =  2.31063031975462 Angstroms
sigma value = 85


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

Energy: 1.0140578956458088
Energy: 0.8058129688663959
Energy: 0.9019333674652772
Energy: 0.9121258926721973
Energy: 0.7915271233874962
Energy: 0.7759585145281818
Energy: 0.8123621610762687
Energy: 0.7759585145290998
Energy: 0.8012381400055388
Energy: 0.7971815540660169
Energy: 0.8248210503822957
Energy: 0.7971815540660169
Energy: 0.8011848440828278
Energy: 0.7944831038654178
Energy: 0.7966704934522115
Energy: 0.7944831038663357
Energy: 0.8120664815002953
Energy: 0.7874447920848399
Energy: 0.8121114373860892
Energy: 0.7874447920839219
Energy: 0.8572121366963423
Energy: 0.7749392788423437
Energy: 0.8111900826963367
Energy: 0.7749392788414259
Energy: 0.8002072889095492
Energy: 0.7745444051107014
Energy: 0.8115421041208514
Energy: 0.7745444051097835
Energy: 0.8498112792580641
Energy: 0.8160662648046267
Energy: 0.8485074074761683
Energy: 0.8160662648046267
Energy: 0.8362006169970834
Energy: 0.7570189719263973
Energy: 0.8118056091817232
Energy: 0.7570189719227466
Energy: 0.841160113919854
Energy: 0.757059658470677
Energy: 0.8486308347378562
Energy: 0.757059658471595
Energy: 0.8405831994207873
Energy: 0.749829161731886
Energy: 0.8797830848333392
Energy: 0.7498291617309683
Energy: 0.8522878670229684
Energy: 0.7481819497176441
Energy: 0.8584594891180618
Energy: 0.7481819497176441
Energy: 0.8858755877955513
Energy: 0.7482380671944324
Energy: 0.8636484864459048
Energy: 0.7482380671944324
Energy: 0.8869738135100884
Energy: 0.7445531990540898
Energy: 0.8627477027888404
Energy: 0.7445531990550077
Energy: 0.8875235835210467
Energy: 0.7426473027303482
Energy: 0.864280182123208
Energy: 0.7426473027285123
Energy: 0.8720445541413653
Energy: 0.7438096338988761
Energy: 0.890584940614903
Energy: 0.7438096338988761
Energy: 0.8716540730011986
Energy: 0.7427967895730433
Energy: 0.8912482382027047
Energy: 0.7427967895721252
Energy: 0.8717141676686111
Energy: 0.7415431117244057
Energy: 0.9119196436228472
Energy: 0.7415431117253236
Energy: 0.8933094523987902
Energy: 0.7429692404392506
Energy: 0.8770241669060059
Energy: 0.7429692404401684
Energy: 0.8934246038773231
Energy: 0.7411811871664625
Energy: 0.8764356119390461
Energy: 0.7411811871673806
Energy: 0.8761518143617761
Energy: 0.7411088253897248
Energy: 0.8760443549359089
Energy: 0.7411088253906425
Energy: 0.8766730020813497
Energy: 0.7423445896545968
Energy: 0.8945281592044899
Energy: 0.7423445896545968
Energy: 0.9127069092551262
Energy: 0.7418537235839318
Energy: 0.893138514551245
Energy: 0.741853723581178
Energy: 0.9120315780497066
Energy: 0.7416917256275389
Energy: 0.871613836981387
Energy: 0.7416917256275389
Energy: 0.892848613746216
Energy: 0.7435417834272036
Energy: 0.8711000005647532
Energy: 0.7435417834272036
Energy: 0.8905740872410712
Energy: 0.743141693094556
Energy: 0.8841218594907929
Energy: 0.7431416930936381
Energy: 0.8628604713625968
Energy: 0.7433192171204562
Energy: 0.8870235501826357
Energy: 0.7433192171204562
Energy: 0.8624537615217487
Energy: 0.8417486603724669
Energy: 0.8859479505375063
Energy: 0.8417486603733847
Energy: 0.8643885839179768
Energy: 0.7475234498315744
Energy: 0.8405914060299466
Energy: 0.7475234498315744
Energy: 0.8614643899030088
Energy: 0.7481325860062653
Energy: 0.8404499363032155
Energy: 0.7481325860053473
Energy: 0.8795967217380907
Energy: 0.8335120463199762
Energy: 0.8405927933434019
Energy: 0.8335120463218122
Energy: 0.8292327160957143
Energy: 0.7579896378752093
Energy: 0.8347686618409805
Energy: 0.7579896378742914
Energy: 0.8113855166231652
Energy: 0.7583889650503597
Energy: 0.833032099929671
Energy: 0.7583889650503597
Energy: 0.8114899347354168
Energy: 0.7878779791777718
Energy: 0.8506485885294929
Energy: 0.7878779791786689
Energy: 0.8119408601254353
Energy: 0.7742624588043708
Energy: 0.8371940532156799
Energy: 0.7742624588062068
Energy: 0.8114573004463013
Energy: 0.7772685749704682
Energy: 0.8507223945200403
Energy: 0.7772685749695504
Energy: 0.8385846646539327
Energy: 0.77705332244475
Energy: 0.8123839378728986
Energy: 0.7770533224429143
Energy: 0.7864060545842549
Energy: 0.8028832779065035
Energy: 0.8025974151862926
Energy: 0.8028832779055856
Energy: 0.8117397648267819
Energy: 0.7960092899261906
Energy: 0.8011356670286566
Energy: 0.7960092899280263
Energy: 0.811332720757766
Energy: 0.7759077115483025
Energy: 0.8138456847986875
Energy: 0.7759077115501383
Energy: 0.801131856652525
Energy: 0.794955664555854
Energy: 0.8018535141027872
Energy: 0.794955664555854
Energy: 0.8015466803097548
Energy: 0.7763323806899103
Energy: 0.8016984880115852
Energy: 0.7763323806880744
Energy: 0.8049964066568966
Energy: 0.7943841119258164
Energy: 0.8009440585762403
Energy: 0.7943841119258164

minimum gb energy = 0.7411088253897248 eV
minimum distance =  2.3091190742181 Angstroms
sigma value = 113


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

Energy: 0.014891757339833125
Energy: 0.015026377222275488
Energy: 0.9468096818413853
Energy: 0.10521626089790455
Energy: 0.015684785717647167
Energy: 0.10503578758970114
Energy: 0.09026667636420017
Energy: 0.10503578758970114
Energy: 0.09263694478732605
Energy: 0.10512809118165245
Energy: 0.015595375893172208
Energy: 0.10512809118165245
Energy: 0.08772969793968301
Energy: 0.1064325114954561
Energy: 0.016808736285967067
Energy: 0.1064325114954561
Energy: 0.08846871066428247
Energy: 0.10487613524648016
Energy: 0.08928573879769407
Energy: 0.10487613524581373
Energy: 0.01579415847424994
Energy: 0.10596993698313989
Energy: 0.08775731362710044
Energy: 0.10596993698313989

minimum gb energy = 0.014891757339833125 eV
minimum distance =  2.45599997542573 Angstroms
sigma value = 1