Model name: model_name=EAM_Dynamo_MendelevFangYe_2015_AlSm__MO_338600200739_000
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=4.040926471352577
cohesive_energy=3.905455928316686
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.96918578166148e-19, 3.6131165926324195e-19, 4.0193484781831197e-19, 4.33433640442752e-19, 4.596692828245019e-19, 4.818321922026239e-19, 5.00662574182026e-19, 5.1677406241352995e-19, 5.307322252489379e-19, 5.4316191157551e-19, 5.5460465709553795e-19, 5.654401776712799e-19, 5.75812669199796e-19, 5.855138487186659e-19, 5.942473135506e-19, 6.01819200322884e-19, 6.081686263234259e-19, 6.133404524979779e-19, 6.17440422504384e-19, 6.20590301766828e-19, 6.229054470029579e-19, 6.244771822809119e-19, 6.25382412079122e-19, 6.256740082265099e-19, 6.2536158378288e-19, 6.243490081501919e-19, 6.225033006678239e-19, 6.1964982408267e-19, 6.1557228454914e-19, 6.10051183868376e-19, 6.02894260844298e-19, 5.93920469517264e-19, 5.82923129101488e-19, 5.69623460862654e-19, 5.5358407057967995e-19, 5.34091989650436e-19, 5.099455855994219e-19, 4.79092470158484e-19, 4.37951778550632e-19, 3.80162869538886e-19, 2.9442238697037597e-19, 1.64384924825034e-19, -4.05220912094646e-20, -3.78152137863216e-19, -9.60506494259634e-19, -2.0149774437500997e-18, -4.02237659202138e-18, -8.052619871315699e-18, -1.6665841346867998e-17, -3.65563836049878e-17, -8.72309874911202e-17, -2.34419269850442e-16, -7.497898255325879e-16, -3.1512731561155797e-15]
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: 0.012053897984116591
Energy: 0.06333989884313537
Energy: 0.2944261660628367
Energy: 0.06333989884411141
Energy: 0.06333989884313537
Energy: 0.408382541062063
Energy: 0.06333989884313537
Energy: 0.408382541061561
Energy: 0.29442616605399663
Energy: 0.06333989884363733
Energy: 0.01205389798361463
Energy: 0.06333989884313537
Energy: 0.06333989884363733
Energy: 0.408382541062063
Energy: 0.0633398988426613
Energy: 0.408382541060585

minimum gb energy = 0.01205389798361463 eV
minimum distance =  2.81669574272864 Angstroms
sigma value = 1


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

Energy: 0.6726440977025313
Energy: 0.5572390699689344
Energy: 0.5588656598435462
Energy: 0.5572390699719784
Energy: 0.5049402988366087
Energy: 0.5603351044060724
Energy: 0.5056448375652202
Energy: 0.5603351044091162
Energy: 0.5579649968490035
Energy: 0.5572904387086627
Energy: 0.7341913261224434
Energy: 0.5572904387092715
Energy: 0.5068045521271536
Energy: 0.5044134956020175
Energy: 0.5057678948498581
Energy: 0.5044134956020175
Energy: 0.6293980574049826
Energy: 0.5049409549580238
Energy: 0.5066802996330587
Energy: 0.5049409549580238
Energy: 0.5104386698749168
Energy: 0.5429287619916274
Energy: 0.505102515292382
Energy: 0.5429287619916274
Energy: 0.5115281257766685
Energy: 0.5098159760525713
Energy: 0.6285931469316481
Energy: 0.5098159760525713
Energy: 0.5196431726125752
Energy: 0.5104572989477174
Energy: 0.5612308321077045
Energy: 0.5104572989446736
Energy: 0.5531854939147691
Energy: 0.5680545195270374
Energy: 0.5553563985048041
Energy: 0.5680545195270374
Energy: 0.5639445558152869
Energy: 0.5637821044913442
Energy: 0.5399044814562489
Energy: 0.5637821044937794
Energy: 0.5833651252358982
Energy: 0.5678507362885716
Energy: 0.5538912375668115
Energy: 0.5678507362879629
Energy: 0.5196120247968357
Energy: 0.5643627951868703
Energy: 0.5640376525149484
Energy: 0.5643627951862615
Energy: 0.5096105362236684
Energy: 0.5102101916860832
Energy: 0.6726278131768292
Energy: 0.5102101916854744
Energy: 0.528806340673125
Energy: 0.5107594203221296
Energy: 0.5307988305172725
Energy: 0.5107594203215209
Energy: 0.6722140633200355
Energy: 0.5042360892241516
Energy: 0.5048831281581229
Energy: 0.5042360892223253
Energy: 0.5194867640598775
Energy: 0.504724940495543
Energy: 0.5051195631366459
Energy: 0.504724940493108
Energy: 0.5582697474627104
Energy: 0.5572594454727772
Energy: 0.7938950345719269
Energy: 0.5572594454715596
Energy: 0.5059003727707153
Energy: 0.507489751397656
Energy: 0.49581606380534743
Energy: 0.5074897513994823
Energy: 0.7340281341657653
Energy: 0.5578171080878139
Energy: 0.5593292168530207
Energy: 0.5578171080890315
Energy: 0.5098224799563341
Energy: 0.5046532048683281
Energy: 0.5070005909550176
Energy: 0.5046532048652841
Energy: 0.505566077311037
Energy: 0.5054729366494483
Energy: 0.6284451548992078
Energy: 0.5054729366543185
Energy: 0.5051077061602213
Energy: 0.5049205706692228
Energy: 0.5287241911514501
Energy: 0.5049205706704404
Energy: 0.6284630691335232
Energy: 0.50952982404151
Energy: 0.5140569431630898
Energy: 0.50952982404151
Energy: 0.5617126871259998
Energy: 0.5099720408878533
Energy: 0.5205149953480277
Energy: 0.5099720408872445
Energy: 0.5576610405093997
Energy: 0.569235566911071
Energy: 0.5532881718692859
Energy: 0.5692355669098536
Energy: 0.5404277889998416
Energy: 0.5602475585719519
Energy: 0.5647451005877777
Energy: 0.5602475585725606
Energy: 0.5540065345564859
Energy: 0.5688149754179211
Energy: 0.5853425627826682
Energy: 0.5688149754130509
Energy: 0.5622973858185254
Energy: 0.5671829316208206
Energy: 0.5197557768236812
Energy: 0.5671829316189941
Energy: 0.4957747719449251
Energy: 0.5108526690185649
Energy: 0.5097172923952199
Energy: 0.5108526691293062
Energy: 0.531012571477384
Energy: 0.5112842145773346
Energy: 0.5093921880809138
Energy: 0.5112842145822049
Energy: 0.5044848380881969
Energy: 0.5043923907300146
Energy: 0.670678600924047
Energy: 0.5043923907312321
Energy: 0.5051530085319876
Energy: 0.5044731820041932
Energy: 0.5324088742200401
Energy: 0.5044731820066284
Energy: 0.5124605695049439
Energy: 0.5576556105783619
Energy: 0.5587770770417879
Energy: 0.5576556105814058

minimum gb energy = 0.4957747719449251 eV
minimum distance =  2.58576724608465 Angstroms
sigma value = 1


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

Energy: 0.7717228817852649
Energy: 0.5774469068585704
Energy: 0.5781055746685256
Energy: 0.5774469068599585
Energy: 0.5199100759200148
Energy: 0.5781973163951591
Energy: 0.5211420212654361
Energy: 0.5781973163958533
Energy: 0.578035482649941
Energy: 0.5780147851077414
Energy: 0.7079149113827887
Energy: 0.5780147851014944
Energy: 0.5225491432048549
Energy: 0.5192143119600615
Energy: 0.5212488678706179
Energy: 0.5192143119600615
Energy: 0.7077014223499501
Energy: 0.5204842723376042
Energy: 0.5195153770631804
Energy: 0.5204842723389923
Energy: 0.5511271098912801
Energy: 0.5472722304257237
Energy: 0.5198915620819734
Energy: 0.5472722304271119
Energy: 0.5337825445110257
Energy: 0.5343119699429262
Energy: 0.5983062066075611
Energy: 0.5343119699436205
Energy: 0.5420457046456926
Energy: 0.5335374524705851
Energy: 0.5851797560142086
Energy: 0.5335374524685028
Energy: 0.5990813246976336
Energy: 0.5915081809940721
Energy: 0.5548610076528387
Energy: 0.5915081809989309
Energy: 0.5863344505442163
Energy: 0.5880043838311457
Energy: 0.5404883902559285
Energy: 0.5880043838332281
Energy: 0.6417306604320779
Energy: 0.5570137429647207
Energy: 0.5339278331871978
Energy: 0.55701374297305
Energy: 0.5516803416470838
Energy: 0.5349593714244588
Energy: 0.5520625227482374
Energy: 0.534959371425153
Energy: 0.5202809008196592
Energy: 0.5194857927516296
Energy: 0.6410581396243378
Energy: 0.5194857927523238
Energy: 0.5200417089614551
Energy: 0.519536625477186
Energy: 0.5537666775424571
Energy: 0.5195366254730215
Energy: 0.7709831993819934
Energy: 0.577538585520822
Energy: 0.5779634159698862
Energy: 0.5775385855159635
Energy: 0.5123322525790484
Energy: 0.522777238222361
Energy: 0.5209035551485949
Energy: 0.5227772382251373
Energy: 0.5775394031726688
Energy: 0.577880301826203
Energy: 0.7076136882555865
Energy: 0.5778803018352264
Energy: 0.5227734353203785
Energy: 0.51912029314308
Energy: 0.5492590314584155
Energy: 0.5191202931416917
Energy: 0.7073228887849097
Energy: 0.5207658430542053
Energy: 0.5201483576462779
Energy: 0.5207658430521229
Energy: 0.551427531626534
Energy: 0.5195427720230232
Energy: 0.5204255488699151
Energy: 0.5195427720237175
Energy: 0.5358611934860924
Energy: 0.5347121985072799
Energy: 0.5983549902816573
Energy: 0.5347121984968682
Energy: 0.5395944794285252
Energy: 0.5351886173045333
Energy: 0.5862583506919538
Energy: 0.535188617302451
Energy: 0.5991252393514358
Energy: 0.5912100338223594
Energy: 0.5578402613546746
Energy: 0.5912100338188888
Energy: 0.585812759727205
Energy: 0.5938095913442908
Energy: 0.539221168654621
Energy: 0.5938095913401261
Energy: 0.6414946926189581
Energy: 0.5575289812145017
Energy: 0.5338662142311498
Energy: 0.5575289812158899
Energy: 0.5518798451630972
Energy: 0.5357127108951647
Energy: 0.5524534299447107
Energy: 0.5357127108923884
Energy: 0.5199661399059022
Energy: 0.5195790946655823
Energy: 0.6411990205733951
Energy: 0.5195790946711352
Energy: 0.5202784567565619
Energy: 0.5196771778271776
Energy: 0.55393286970019
Energy: 0.5196771778251269
Energy: 0.5257811329371201
Energy: 0.5218078496268632
Energy: 0.5776280133461124
Energy: 0.5218078496310278

minimum gb energy = 0.5123322525790484 eV
minimum distance =  2.54194929928203 Angstroms
sigma value = 25


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

Energy: 0.7896539773940512
Energy: 0.6050683258827757
Energy: 0.6051945829299609
Energy: 0.6050683258843894
Energy: 0.543267242603837
Energy: 0.6023034155553915
Energy: 0.5451190287752856
Energy: 0.6023034155545846
Energy: 0.6063777287595536
Energy: 0.6052098894044999
Energy: 0.7048831657119076
Energy: 0.6052098894053066
Energy: 0.5471318283147422
Energy: 0.6200026910110794
Energy: 0.5453984909630616
Energy: 0.6200026910078518
Energy: 0.7048909520918615
Energy: 0.5451098215448461
Energy: 0.5470088993323602
Energy: 0.5451098215448461
Energy: 0.5875826654885917
Energy: 0.5457884083517759
Energy: 0.5451483138521405
Energy: 0.5457884083517759
Energy: 0.5810990528940032
Energy: 0.5924243227734307
Energy: 0.5852247351693747
Energy: 0.5924243227742377
Energy: 0.5675938939796308
Energy: 0.5937666937077841
Energy: 0.6177656328240265
Energy: 0.5937666937093978
Energy: 0.5839727363173235
Energy: 0.6017300744764648
Energy: 0.6376079495123897
Energy: 0.601730074474851
Energy: 0.602238131841809
Energy: 0.606886317925757
Energy: 0.5363858548183856
Energy: 0.606886317925757
Energy: 0.5439033863401358
Energy: 0.5624961499742596
Energy: 0.5623690103897034
Energy: 0.562496149971839
Energy: 0.5426503503863258
Energy: 0.5312959880298692
Energy: 0.5312970575644633
Energy: 0.5312959880339038
Energy: 0.5431637377435986
Energy: 0.5439173642840707
Energy: 0.736341529012233
Energy: 0.5439173642816502
Energy: 0.543234257539849
Energy: 0.5369373277712811
Energy: 0.5311063893998453
Energy: 0.5369373277720881
Energy: 0.7044118070997583
Energy: 0.6237362863911021
Energy: 0.6262973736585657
Energy: 0.6237362863935226
Energy: 0.5525283325828532
Energy: 0.5363103404254955
Energy: 0.5362432431680916
Energy: 0.5363103404263023
Energy: 0.5512328792097496
Energy: 0.5512683626334409
Energy: 0.7047265212354442
Energy: 0.5512683626318271
Energy: 0.5513185368842819
Energy: 0.5515476743193464
Energy: 0.5811147147877718
Energy: 0.5515476743209601
Energy: 0.5854544858580218
Energy: 0.5858474772525258
Energy: 0.5728186467026367
Energy: 0.5858474772517189
Energy: 0.6209924237346635
Energy: 0.5857919527213039
Energy: 0.5649245727525146
Energy: 0.5857919527245314
Energy: 0.5354685317236456
Energy: 0.5950777466132251
Energy: 0.5776674721274102
Energy: 0.595077746614839
Energy: 0.5621507902445597
Energy: 0.5997451772405906
Energy: 0.588107846683909
Energy: 0.5997451772397837
Energy: 0.542496978265521
Energy: 0.5430654463244069
Energy: 0.5438807881400674
Energy: 0.5430654463244069
Energy: 0.5435114447926823
Energy: 0.5465760449890921
Energy: 0.5677666102474815
Energy: 0.5465760449882852
Energy: 0.5441243221704659
Energy: 0.5771002920725072
Energy: 0.6067549508470815
Energy: 0.5771002920684727

minimum gb energy = 0.5311063893998453 eV
minimum distance =  2.52110200038955 Angstroms
sigma value = 9


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

Energy: 0.6853506560608564
Energy: 0.6123733713752789
Energy: 0.6134594793684195
Energy: 0.6123733713752789
Energy: 0.550542639562894
Energy: 0.6054087328315008
Energy: 0.5510615228538984
Energy: 0.6054087328295756
Energy: 0.6128906263208357
Energy: 0.6128340251978215
Energy: 0.8018917059257057
Energy: 0.6128340251987842
Energy: 0.5553674077266836
Energy: 0.6055725740863304
Energy: 0.5508712314487801
Energy: 0.6055725740901807
Energy: 0.6213342930025988
Energy: 0.5511520675090458
Energy: 0.5518702661273464
Energy: 0.5511520675080832
Energy: 0.6112480458783991
Energy: 0.5508993940267232
Energy: 0.5512879866466782
Energy: 0.5508993940267232
Energy: 0.5598465623047388
Energy: 0.6049393285099849
Energy: 0.6226434043909068
Energy: 0.6049393285109472
Energy: 0.5720486997215277
Energy: 0.6057016573428554
Energy: 0.6112184522422046
Energy: 0.6057016573428554
Energy: 0.5504283141982131
Energy: 0.5509766556741553
Energy: 0.6847018622525011
Energy: 0.5509766556741553
Energy: 0.5505400388844501
Energy: 0.5510159314481804
Energy: 0.5902910552162937
Energy: 0.5510159314481804
Energy: 0.6842094027565451
Energy: 0.6123897899419526
Energy: 0.612599714176633
Energy: 0.6123897899429152
Energy: 0.558066892720549
Energy: 0.5560485384232291
Energy: 0.5504870906208683
Energy: 0.5560485384222666
Energy: 0.6143310079458719
Energy: 0.6137100857106174
Energy: 0.5539254620748096
Energy: 0.6137100857086922
Energy: 0.6131681528184765
Energy: 0.6050317197932903
Energy: 0.6091297731721383
Energy: 0.6050317197932903
Energy: 0.6212097880656129
Energy: 0.5512186790488477
Energy: 0.5503616819091796
Energy: 0.5512186790507728
Energy: 0.6109474103816813
Energy: 0.5509646625901378
Energy: 0.5505279883729517
Energy: 0.5509646625882126
Energy: 0.5582125204218028
Energy: 0.6054513731556859
Energy: 0.6226908949540401
Energy: 0.6054513731566485
Energy: 0.558167356144069
Energy: 0.6051200915377709
Energy: 0.6113032126469139
Energy: 0.6051200915377709
Energy: 0.5500440817468908
Energy: 0.5509686069742794
Energy: 0.5415798408887933
Energy: 0.550968606975242
Energy: 0.5505251387083461
Energy: 0.5555240894704805
Energy: 0.5415301985404308
Energy: 0.5555240894685554
Energy: 0.541618597340257
Energy: 0.5554581657221274
Energy: 0.6220165156464561
Energy: 0.5554581657211647

minimum gb energy = 0.5415301985404308 eV
minimum distance =  2.53665883050174 Angstroms
sigma value = 25


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

Energy: 0.6139610271456892
Energy: 0.626072882332439
Energy: 0.6270599468290318
Energy: 0.6260728823336292
Energy: 0.5586542713756484
Energy: 0.5896629242789536
Energy: 0.5609221059431299
Energy: 0.5896629242801441
Energy: 0.625835981542922
Energy: 0.6265127695339493
Energy: 0.7424377069506579
Energy: 0.6265127695339493
Energy: 0.5447030205375664
Energy: 0.589232010340198
Energy: 0.5600330946751392
Energy: 0.5892320103390077
Energy: 0.5774097130443618
Energy: 0.5801063549146119
Energy: 0.5803853215574519
Energy: 0.5801063549146119
Energy: 0.5440693160124032
Energy: 0.5792848648758598
Energy: 0.5579679197002829
Energy: 0.5792848648770502
Energy: 0.6141612759795622
Energy: 0.5808062899056573
Energy: 0.5782573140403949
Energy: 0.5808062899056573
Energy: 0.5413128637229926
Energy: 0.6157065256871749
Energy: 0.5591182147270478
Energy: 0.6157065256871749
Energy: 0.626264862282903
Energy: 0.6258003106846742
Energy: 0.5411212091009655
Energy: 0.6258003106846742
Energy: 0.6258709623195231
Energy: 0.5834603125964319
Energy: 0.5408928186994231
Energy: 0.5834603125964319
Energy: 0.5805968667088435
Energy: 0.6266333784997619
Energy: 0.6299467652652428
Energy: 0.6266333784985715
Energy: 0.5430158345604045
Energy: 0.5900623648696968
Energy: 0.6278854752239243
Energy: 0.5900623648696968
Energy: 0.559125036601335
Energy: 0.5804986174936557
Energy: 0.5770771634355575
Energy: 0.5804986174960365
Energy: 0.5807578724752088
Energy: 0.5822820364665449
Energy: 0.5458187020134528
Energy: 0.5822820364665449
Energy: 0.5783042259584159
Energy: 0.6136477048988243
Energy: 0.6155118321330185
Energy: 0.6136477048988243
Energy: 0.5583959561673497
Energy: 0.6187103610533565
Energy: 0.6155629678619609
Energy: 0.6187103610533565
Energy: 0.5416637904025013
Energy: 0.5830386499556436
Energy: 0.6284389964025321
Energy: 0.5830386499580243

minimum gb energy = 0.5408928186994231 eV
minimum distance =  2.54423246130275 Angstroms
sigma value = 17


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

Energy: 0.8501082383795837
Energy: 0.6857210853127876
Energy: 0.6870805221224672
Energy: 0.6857210853134619
Energy: 0.6267369219453819
Energy: 0.5847082870482794
Energy: 0.6757279709223042
Energy: 0.5847082870489536
Energy: 0.5961506491796978
Energy: 0.5956499826801539
Energy: 0.7751942456271625
Energy: 0.5956499826794798
Energy: 0.5852023562892505
Energy: 0.6230318877052559
Energy: 0.5848509369181748
Energy: 0.6230318877052559
Energy: 0.6480467090450649
Energy: 0.6291194624402172
Energy: 0.5977665617128306
Energy: 0.6291194624408915
Energy: 0.5865818160566851
Energy: 0.6374120355644065
Energy: 0.5857043802707956
Energy: 0.6374120355644065
Energy: 0.6945915444683147
Energy: 0.5952325993092784
Energy: 0.5961325407466125
Energy: 0.5952325993113009
Energy: 0.611777695789406
Energy: 0.5850928822013949
Energy: 0.5947921147955106
Energy: 0.5850928822013949
Energy: 0.6878271230242585
Energy: 0.6863401927170162
Energy: 0.6144158281881867
Energy: 0.6863401927163421
Energy: 0.6886064520729588
Energy: 0.6249262288543425
Energy: 0.6335386266797437
Energy: 0.6249262288536683
Energy: 0.6468900257420861
Energy: 0.5778748937997841
Energy: 0.5693350139558224
Energy: 0.5778748937991098
Energy: 0.6134386338238847
Energy: 0.5777421603754308
Energy: 0.5765706738269457
Energy: 0.5777421603740825
Energy: 0.6127756204965703
Energy: 0.5771521105568398
Energy: 0.5768156878071415
Energy: 0.5771521105575139
Energy: 0.6939513426544247
Energy: 0.5849375121580118
Energy: 0.568181315195658
Energy: 0.5849375121586861
Energy: 0.6878620043788046
Energy: 0.6628455417187736
Energy: 0.611198162809781
Energy: 0.6628455417194171
Energy: 0.6859626857535983
Energy: 0.6863326467954897
Energy: 0.6111559621650151
Energy: 0.6863326467948154
Energy: 0.6148334830826317
Energy: 0.5956261355189263
Energy: 0.5955626371300438
Energy: 0.5956261355209488
Energy: 0.6148018178102816
Energy: 0.595456880835578
Energy: 0.5956534951239717
Energy: 0.5954568808369263
Energy: 0.5862516033011665
Energy: 0.6364677327743822
Energy: 0.6207361701342627
Energy: 0.636467732773708
Energy: 0.5952766900025417
Energy: 0.630006129550308
Energy: 0.6160867178621799
Energy: 0.630006129550308
Energy: 0.5976627918110747
Energy: 0.5846407277918426
Energy: 0.6754543616064241
Energy: 0.5846407277904943
Energy: 0.5952353932276325
Energy: 0.5952478528231919
Energy: 0.6978198953156839
Energy: 0.5952478528238662
Energy: 0.6480517813853014
Energy: 0.6232506577614295
Energy: 0.6863766344240315
Energy: 0.6232506577641262
Energy: 0.6143395633357083
Energy: 0.6858623825019912
Energy: 0.685975087054642
Energy: 0.6858623825033395
Energy: 0.5713527328279914
Energy: 0.5843710290217016
Energy: 0.6138284574431389
Energy: 0.5843710290223757
Energy: 0.5784227920811369
Energy: 0.5775245553153628
Energy: 0.6463168562686031
Energy: 0.5775245553146887
Energy: 0.5678415853820831
Energy: 0.6038679758181696
Energy: 0.6139407610550597
Energy: 0.6038679758168214
Energy: 0.5790082955641865
Energy: 0.5768001572604933
Energy: 0.6974209177412825
Energy: 0.5768001572611674
Energy: 0.5781077019406822
Energy: 0.5846660647228189
Energy: 0.6119178371378055
Energy: 0.584666064723493
Energy: 0.8481789916560888
Energy: 0.6858387265732708
Energy: 0.6860238796296484
Energy: 0.6858387265705741

minimum gb energy = 0.5678415853820831 eV
minimum distance =  2.56229867406885 Angstroms
sigma value = 53


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

Energy: 0.7658963335282369
Energy: 0.6231841361634707
Energy: 0.6246057116445174
Energy: 0.623184136168127
Energy: 0.6274814618527688
Energy: 0.5559216647318275
Energy: 0.6238058968938278
Energy: 0.5559216647318275
Energy: 0.6232966921548903
Energy: 0.6235253910190396
Energy: 0.6367167542960943
Energy: 0.6235253910221438
Energy: 0.6244876734268391
Energy: 0.5564248736385295
Energy: 0.6141814276282999
Energy: 0.5564248736369776
Energy: 0.625982572001791
Energy: 0.5553525356970653
Energy: 0.5138783677997741
Energy: 0.5553525356970653
Energy: 0.6130348064752434
Energy: 0.5574814326899601
Energy: 0.5142255204012625
Energy: 0.5574814326915122
Energy: 0.710099637363613
Energy: 0.6226130748546413
Energy: 0.6225476200844496
Energy: 0.6226130748530893
Energy: 0.7095830421258249
Energy: 0.5581389563363662
Energy: 0.6256110514676279
Energy: 0.558138956334814
Energy: 0.6242824730762647
Energy: 0.6237754898018699
Energy: 0.6306611252796711
Energy: 0.6237754898003178
Energy: 0.6252524946395328
Energy: 0.5566984894786501
Energy: 0.615675997329891
Energy: 0.5566984894802022
Energy: 0.6266383919473182
Energy: 0.5596761592101082
Energy: 0.5231380080149749
Energy: 0.559676159207004
Energy: 0.6151826577845259
Energy: 0.5551274671173609
Energy: 0.514639630606767
Energy: 0.5551274671158088
Energy: 0.7096812639011032
Energy: 0.5558108357555114
Energy: 0.6249107201664187
Energy: 0.5558108357570634

minimum gb energy = 0.5138783677997741 eV
minimum distance =  2.61132174916406 Angstroms
sigma value = 9


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

Energy: 0.7607156859108034
Energy: 0.7119036480303067
Energy: 0.711719690525413
Energy: 0.7119036480314556
Energy: 0.593266079096538
Energy: 0.5766351580812844
Energy: 0.7165906972343409
Energy: 0.5766351580841566
Energy: 0.5804507681642425
Energy: 0.5769333315734537
Energy: 0.7062005609109553
Energy: 0.5769333315746027
Energy: 0.5782472388539319
Energy: 0.577005386169987
Energy: 0.7385316646979819
Energy: 0.5770053861688381
Energy: 0.5771035669921541
Energy: 0.5761644657812259
Energy: 0.7528001800926378
Energy: 0.5761644657846726
Energy: 0.5929949105946867
Energy: 0.5765929986841384
Energy: 0.7551375221132973
Energy: 0.5765929986858617
Energy: 0.7277083696653116
Energy: 0.7077964638479229
Energy: 0.7173043952061855
Energy: 0.7077964638484974
Energy: 0.7167132851908234
Energy: 0.6432095851551464
Energy: 0.7056752234559323
Energy: 0.6432095851528487
Energy: 0.6189015914149852
Energy: 0.6446719936043733
Energy: 0.6110369980702555
Energy: 0.6446719936055222
Energy: 0.568901333427146
Energy: 0.6420324039519194
Energy: 0.701316888385313
Energy: 0.6420324039519194
Energy: 0.6188823635139509
Energy: 0.6184775885380922
Energy: 0.671130310440978
Energy: 0.6184775885386666
Energy: 0.619095807160747
Energy: 0.6207299257351756
Energy: 0.7572567238954581
Energy: 0.6207299257300054
Energy: 0.7298377249298329
Energy: 0.6177789058770858
Energy: 0.6201002162633522
Energy: 0.6177789058770858
Energy: 0.7283607205822551
Energy: 0.6191703070912908
Energy: 0.6218998200292328
Energy: 0.6191703070889931
Energy: 0.6775442440843601
Energy: 0.6083235425742081
Energy: 0.6167351196938117
Energy: 0.6083235425736335
Energy: 0.6523395928947893
Energy: 0.6435256094495215
Energy: 0.6168196565017295
Energy: 0.6435256094500961
Energy: 0.7052556276426545
Energy: 0.5788608068637151
Energy: 0.623196411598081
Energy: 0.578860806864864
Energy: 0.7114223980573889
Energy: 0.7111930391846724
Energy: 0.7604021898352662
Energy: 0.7111930391835234
Energy: 0.717812789945192
Energy: 0.5771057857668392
Energy: 0.581779337016231
Energy: 0.5771057857645414
Energy: 0.7066852645526924
Energy: 0.5772314365683722
Energy: 0.5769509472700076
Energy: 0.5772314365683722
Energy: 0.7435190807878186
Energy: 0.5767173646929852
Energy: 0.5793686500919631
Energy: 0.5767173646947085
Energy: 0.7549096151441532
Energy: 0.5763784567770602
Energy: 0.5762338033642881
Energy: 0.5763784567764858
Energy: 0.7531355911276637
Energy: 0.5766937007429348
Energy: 0.5922947558552273
Energy: 0.5766937007429348
Energy: 0.7184789759559119
Energy: 0.7065952242085082
Energy: 0.7276327506926228
Energy: 0.7065952242079337
Energy: 0.7062766630824374
Energy: 0.6424947681750492
Energy: 0.7281963233807346
Energy: 0.6424947681779215
Energy: 0.6119338746252644
Energy: 0.646058945990963
Energy: 0.6174375265237039
Energy: 0.6460589459932609
Energy: 0.7092319381416166
Energy: 0.6425883799393245
Energy: 0.5691601688378273
Energy: 0.6425883799370267
Energy: 0.6706883470696975
Energy: 0.6118826592992074
Energy: 0.617044729363874
Energy: 0.611882659297484
Energy: 0.7592304833973306
Energy: 0.620465730729531
Energy: 0.6194723124078478
Energy: 0.6204657307335522
Energy: 0.6197643856062697
Energy: 0.6147213363401388
Energy: 0.7361192854417052
Energy: 0.6147213363407132
Energy: 0.6234490795160691
Energy: 0.6194856215118743
Energy: 0.7046140156663663
Energy: 0.6194856215112998
Energy: 0.630184791374551
Energy: 0.6088096133840796
Energy: 0.678168003978363
Energy: 0.608809613384654
Energy: 0.614596553611243
Energy: 0.6441494296067921
Energy: 0.6532598826364634
Energy: 0.6441494296062177
Energy: 0.622650794298557
Energy: 0.5789776793313602
Energy: 0.661116708171754
Energy: 0.5789776793302113
Energy: 0.75941485900967
Energy: 0.7104347022212695
Energy: 0.7134303448936217
Energy: 0.7104347022235673

minimum gb energy = 0.568901333427146 eV
minimum distance =  2.55466681773342 Angstroms
sigma value = 73


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

Energy: 0.7198622025790549
Energy: 0.6736215732001061
Energy: 0.6749037727655475
Energy: 0.6736215732001061
Energy: 0.5964322555407159
Energy: 0.5790868124725478
Energy: 0.6796626328379259
Energy: 0.5790868124743707
Energy: 0.5785895791664851
Energy: 0.5790826847003346
Energy: 0.6426145939806959
Energy: 0.579082684701246
Energy: 0.5787699883386064
Energy: 0.5799726739914204
Energy: 0.7377013967515217
Energy: 0.5799726739923319
Energy: 0.5785410966822837
Energy: 0.5782183522640681
Energy: 0.7233519573519224
Energy: 0.5782183522631568
Energy: 0.5992944815586824
Energy: 0.5784468609906704
Energy: 0.7235614321445993
Energy: 0.5784468609915818
Energy: 0.6771747154496944
Energy: 0.6635196338971162
Energy: 0.6798749184878324
Energy: 0.6635196338962048
Energy: 0.6773864363789941
Energy: 0.6240649265613447
Energy: 0.661174959351826
Energy: 0.6240649265604541
Energy: 0.6625564914956193
Energy: 0.61563913624633
Energy: 0.6446780703827756
Energy: 0.615639136248132
Energy: 0.5658614784340207
Energy: 0.6176279188259753
Energy: 0.6598486699343229
Energy: 0.6176279188259753
Energy: 0.6611621341726052
Energy: 0.6238105701873822
Energy: 0.5871619502213189
Energy: 0.6238105701873822
Energy: 0.6628646964796234
Energy: 0.6800508578202102
Energy: 0.7194704302326661
Energy: 0.6800508578202102
Energy: 0.6546472355209072
Energy: 0.578594845815211
Energy: 0.596474573617921
Energy: 0.5785948458142997
Energy: 0.6435571655330493
Energy: 0.5783119953082212
Energy: 0.5798952646408
Energy: 0.578311995310044
Energy: 0.7373168022834353
Energy: 0.5801013759382917
Energy: 0.580105507917527
Energy: 0.5801013759392031
Energy: 0.7217946017928596
Energy: 0.5787385533024971
Energy: 0.5788670581772615
Energy: 0.5787385533024971
Energy: 0.7269666175526973
Energy: 0.5799351314970174
Energy: 0.5963787065171657
Energy: 0.5799351314979289
Energy: 0.662935356099372
Energy: 0.6752778850380518
Energy: 0.6558279239925301
Energy: 0.6752778850371401
Energy: 0.6595357580034853
Energy: 0.6251988956189841
Energy: 0.6773820373971718
Energy: 0.6251988956189841
Energy: 0.6447364865414174
Energy: 0.6172243466393136
Energy: 0.6551797143577325
Energy: 0.6172243466393136
Energy: 0.6597761037921762
Energy: 0.6653158272886347
Energy: 0.5676943707837289
Energy: 0.6653158272886347
Energy: 0.7182178483882736
Energy: 0.6609791437709911
Energy: 0.663346457646182
Energy: 0.6609791437709911

minimum gb energy = 0.5658614784340207 eV
minimum distance =  2.5687474975634 Angstroms
sigma value = 7


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

Energy: 0.9394835965849628
Energy: 0.6918025899154666
Energy: 0.6948986419079222
Energy: 0.6918025899070886
Energy: 0.6037932238922179
Energy: 0.5868314461778867
Energy: 0.6906822989493525
Energy: 0.5868314461875244
Energy: 0.5871252957401217
Energy: 0.5874351855703512
Energy: 0.6426956188175824
Energy: 0.5874351855645511
Energy: 0.5872302610165603
Energy: 0.5863843059420254
Energy: 0.7279726724582342
Energy: 0.5863843059388031
Energy: 0.6059486584674745
Energy: 0.6026818705582796
Energy: 0.7006940342924239
Energy: 0.6026818705582796
Energy: 0.6074743036188066
Energy: 0.6015221815602946
Energy: 0.7021446894699881
Energy: 0.6015221815564279
Energy: 0.6870952178446724
Energy: 0.6031608207349938
Energy: 0.6070514191281285
Energy: 0.6031608207201711
Energy: 0.6903049988945267
Energy: 0.6004573383363725
Energy: 0.6029134050347248
Energy: 0.6004573383415281
Energy: 0.6885336765226533
Energy: 0.5857893490354861
Energy: 0.5866006029564869
Energy: 0.5857893490309749
Energy: 0.6987586396791853
Energy: 0.5875835700459705
Energy: 0.6052553178723379
Energy: 0.5875835700388815
Energy: 0.689875768396596
Energy: 0.6240422897690953
Energy: 0.6067886522687888
Energy: 0.6240422897723175
Energy: 0.6676908521924472
Energy: 0.670988008985685
Energy: 0.6869247468460785
Energy: 0.6709880089895519
Energy: 0.6622973551005665
Energy: 0.6238288189511205
Energy: 0.6043822228918031
Energy: 0.6238288189582096
Energy: 0.647863293648602
Energy: 0.6220853459823565
Energy: 0.5911889942693787
Energy: 0.6220853459707856
Energy: 0.6769348345005513
Energy: 0.6234270890890388
Energy: 0.5875875414452073
Energy: 0.6234270890774678
Energy: 0.6201399439158486
Energy: 0.6696296855959161
Energy: 0.6670700171222395
Energy: 0.6696296855959161
Energy: 0.6202751828727068
Energy: 0.6229405250252225
Energy: 0.6918610884265951
Energy: 0.6229405250213557
Energy: 0.6076649942834157
Energy: 0.5879260629242696
Energy: 0.6421539415624401
Energy: 0.5879260629352255
Energy: 0.5868192894416383
Energy: 0.5860944250749758
Energy: 0.6912531403564958
Energy: 0.5860944250756203
Energy: 0.6030606275291643
Energy: 0.6008211463851711
Energy: 0.6216524034649329
Energy: 0.6008211463903268
Energy: 0.6068645670986329
Energy: 0.6429893013972637
Energy: 0.6986587152391236
Energy: 0.6429893013940414
Energy: 0.687352939132675
Energy: 0.6019921451621713
Energy: 0.6075206164321446
Energy: 0.601992145166038
Energy: 0.6870161343586204
Energy: 0.6028072930634569
Energy: 0.6049046331813123
Energy: 0.6028072930666791
Energy: 0.7274131621484876
Energy: 0.5863749381166562
Energy: 0.5873652797163249
Energy: 0.5863749381166562
Energy: 0.6985875182294259
Energy: 0.5879347932891568
Energy: 0.5868131155742284
Energy: 0.5879347932930234
Energy: 0.7123253468139279
Energy: 0.5885273088655028
Energy: 0.6033351239909446
Energy: 0.5885273088635694
Energy: 0.695360717756528
Energy: 0.6935330541455669
Energy: 0.8179955860295155
Energy: 0.6935330541410556
Energy: 0.6662235118037176
Energy: 0.631754844193886
Energy: 0.603271635837036
Energy: 0.6317548441842482
Energy: 0.6439508931049966
Energy: 0.6229076285369896
Energy: 0.6513590518150087
Energy: 0.6229076285447231
Energy: 0.6703061894667994
Energy: 0.6614065363591012
Energy: 0.5907841400649215
Energy: 0.6614065363642567
Energy: 0.6880209179435396
Energy: 0.6684071529266367
Energy: 0.6735606606216155
Energy: 0.6684071529234143

minimum gb energy = 0.5857893490309749 eV
minimum distance =  2.53526180773692 Angstroms
sigma value = 29


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

Energy: 0.5310150578421692
Energy: 0.6499440085114314
Energy: 0.6196721393048842
Energy: 0.6499440085118554
Energy: 0.5973383138131235
Energy: 0.6032860580351327
Energy: 0.5973184969095853
Energy: 0.6032860580349332
Energy: 0.5463647367305783
Energy: 0.6098059860031786
Energy: 0.535309926053965
Energy: 0.6098059860034031
Energy: 0.5566498281436493
Energy: 0.543051020658574
Energy: 0.5573964526949365
Energy: 0.543051020659871
Energy: 0.5479261482325829
Energy: 0.5442045417462683
Energy: 0.5320555744969634
Energy: 0.5442045417464928
Energy: 0.5987125920989567
Energy: 0.6128262609813437
Energy: 0.532298308879662
Energy: 0.6128262609819922
Energy: 0.5362475093963115
Energy: 0.6143405766543641
Energy: 0.5516766607154423
Energy: 0.6143405766543641
Energy: 0.5947331578518406
Energy: 0.5528477901736745
Energy: 0.5549559114927932
Energy: 0.552847790175645
Energy: 0.5321412149750798
Energy: 0.5450804207102931
Energy: 0.5601356994102198
Energy: 0.5450804207096195

minimum gb energy = 0.5310150578421692 eV
minimum distance =  2.59653142398135 Angstroms
sigma value = 5


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

Energy: 0.743821207693359
Energy: 0.6498696937480437
Energy: 0.6509770438925492
Energy: 0.6498696937486526
Energy: 0.6944750640994628
Energy: 0.5562202932382112
Energy: 0.6486770325953127
Energy: 0.5562202932376025
Energy: 0.6481629478544656
Energy: 0.6050624093333938
Energy: 0.6437275694352986
Energy: 0.6050624093370465
Energy: 0.5709863412544254
Energy: 0.5543626074988435
Energy: 0.6952402553413801
Energy: 0.5543626074994522
Energy: 0.6739012842217146
Energy: 0.5713579877455042
Energy: 0.64360262451991
Energy: 0.5713579877455042
Energy: 0.5805916284317034
Energy: 0.556752000817892
Energy: 0.6443255981084723
Energy: 0.5567520008191096
Energy: 0.554821206653882
Energy: 0.5545877288278166
Energy: 0.6946271582024742
Energy: 0.5545877288253815
Energy: 0.5557475236464091
Energy: 0.5570803947128966
Energy: 0.7115251961026257
Energy: 0.5570803947122879
Energy: 0.6338408968928697
Energy: 0.574929080367086
Energy: 0.7158852653425813
Energy: 0.5749290803689123
Energy: 0.655406437387383
Energy: 0.5403122950255452
Energy: 0.5453116095086443
Energy: 0.5403122950285889
Energy: 0.6707814571595947
Energy: 0.5399693443583008
Energy: 0.5427729736053359
Energy: 0.5399693443589095
Energy: 0.7111298679073563
Energy: 0.5413715633098658
Energy: 0.5392830279699538
Energy: 0.5413715633074309
Energy: 0.7161170311273742
Energy: 0.5438558895138325
Energy: 0.5940173261055735
Energy: 0.5438558895120063
Energy: 0.6700235957442278
Energy: 0.5765669756776781
Energy: 0.6425198644731779
Energy: 0.5765669756801133
Energy: 0.5561816850714398
Energy: 0.5553863217197889
Energy: 0.6438295745949851
Energy: 0.5553863217197889
Energy: 0.5588711072575013
Energy: 0.5562500969036519
Energy: 0.6982207304996987
Energy: 0.5562500969030431
Energy: 0.5634776096977636
Energy: 0.5635710313946471
Energy: 0.5695012264512171
Energy: 0.5635710313946471
Energy: 0.6625048971860569
Energy: 0.5568432270456041
Energy: 0.6786528424519662
Energy: 0.5568432270437776
Energy: 0.6455866798043803
Energy: 0.6062574388127385
Energy: 0.650427818803465
Energy: 0.6062574388139561
Energy: 0.6720957728545316
Energy: 0.6086419036912014
Energy: 0.5682577376138289
Energy: 0.6086419036966803
Energy: 0.6448958978951301
Energy: 0.5571967580006572
Energy: 0.6705556911660985
Energy: 0.5571967580006572
Energy: 0.6435910264384149
Energy: 0.5810272844606218
Energy: 0.5814083341017646
Energy: 0.5810272844594042
Energy: 0.6961859588006877
Energy: 0.5546105565331209
Energy: 0.5564813920683332
Energy: 0.5546105565294681
Energy: 0.7157343690923756
Energy: 0.5565054514938854
Energy: 0.5600092311934375
Energy: 0.5565054514920591
Energy: 0.7143309169881468
Energy: 0.5745162709143649
Energy: 0.6714311282914158
Energy: 0.5745162709119297
Energy: 0.5485446636345993
Energy: 0.5409514904316841
Energy: 0.6559323166344971
Energy: 0.5409514904280315
Energy: 0.5422482618777634
Energy: 0.5403145825240829
Energy: 0.6332890620420542
Energy: 0.5403145825246917
Energy: 0.5519890266424268
Energy: 0.5408804931839408
Energy: 0.5681914723843345
Energy: 0.5408804931857671
Energy: 0.5481706051247768
Energy: 0.6054748979066356
Energy: 0.7173177050819186
Energy: 0.6054748979042004
Energy: 0.6436179999031549
Energy: 0.5754994439272848
Energy: 0.6700875737082614
Energy: 0.5754994439260672
Energy: 0.6441752414134312
Energy: 0.5552203282924698
Energy: 0.5574609651433067
Energy: 0.5552203282918611
Energy: 0.6969176802304731
Energy: 0.555793880863631
Energy: 0.5569633919206861
Energy: 0.5557938808630223
Energy: 0.5712022506572456
Energy: 0.5545337765668107
Energy: 0.5680925268627895
Energy: 0.5545337765668107

minimum gb energy = 0.5392830279699538 eV
minimum distance =  2.54662353646806 Angstroms
sigma value = 1


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

Energy: 0.7866992077314972
Energy: 0.6367717704318767
Energy: 0.639427156840262
Energy: 0.6367717704276681
Energy: 0.5297240146973559
Energy: 0.5299097262254557
Energy: 0.6474834397495279
Energy: 0.5299097262195638
Energy: 0.6481935083120912
Energy: 0.5938086347058221
Energy: 0.6465799125719202
Energy: 0.5938086347058221
Energy: 0.5466364383795347
Energy: 0.5287001792046603
Energy: 0.5804745535045469
Energy: 0.528700179205502
Energy: 0.5799090278878405
Energy: 0.5571363813287658
Energy: 0.6442653306115086
Energy: 0.5571363813329743
Energy: 0.5584905591961741
Energy: 0.5375133225334777
Energy: 0.6446095564321324
Energy: 0.5375133225393699
Energy: 0.5279556045122089
Energy: 0.5290170793212764
Energy: 0.7030260097992262
Energy: 0.5290170793187511
Energy: 0.5294001816440684
Energy: 0.5304717368928176
Energy: 0.7306410833609781
Energy: 0.5304717369003932
Energy: 0.668788760483039
Energy: 0.5613568455711733
Energy: 0.7326525881120464
Energy: 0.5613568455703315
Energy: 0.6647101775670408
Energy: 0.5308195269965823
Energy: 0.5296130958765795
Energy: 0.5308195269999493
Energy: 0.6506892406838454
Energy: 0.5286286540602018
Energy: 0.5281711850685199
Energy: 0.5286286540568349
Energy: 0.7318359499941477
Energy: 0.532870218075066
Energy: 0.5576143485273624
Energy: 0.5328702180759076
Energy: 0.7293685607701982
Energy: 0.5288525173411076
Energy: 0.5775805353314778
Energy: 0.5288525173478414
Energy: 0.5310974541781157
Energy: 0.5286888565217236
Energy: 0.6458136342075447
Energy: 0.5286888565149898
Energy: 0.5476711037357869
Energy: 0.5930280601016853
Energy: 0.6464026937112235
Energy: 0.5930280601008437
Energy: 0.5429563277184186
Energy: 0.5293533268376506
Energy: 0.5298324846185137
Energy: 0.5293533268418592
Energy: 0.5769575834833829
Energy: 0.5683690079089736
Energy: 0.6430681345776386
Energy: 0.5683690079106569
Energy: 0.5362791465945688
Energy: 0.5304417265251669
Energy: 0.6467954221340052
Energy: 0.5304417265243251
Energy: 0.5290211891482735
Energy: 0.5290776300453783
Energy: 0.7315015873285222
Energy: 0.5290776300428913
Energy: 0.5289251805672184
Energy: 0.5306567941915045
Energy: 0.7309826795115094
Energy: 0.5306567942007634
Energy: 0.64337581007293
Energy: 0.5621721207509919
Energy: 0.7040905652217745
Energy: 0.5621721207526753
Energy: 0.6430764508748646
Energy: 0.530235695414291
Energy: 0.5316625851137777
Energy: 0.5302356954159745
Energy: 0.6000327271099717
Energy: 0.5283032204872087
Energy: 0.5299245795776958
Energy: 0.5283032204872087
Energy: 0.7291675542459414
Energy: 0.5292915001386137
Energy: 0.5578538151825465
Energy: 0.5292915001352468

minimum gb energy = 0.5279556045122089 eV
minimum distance =  2.56326462247271 Angstroms
sigma value = 17


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

Energy: 0.8423033366011032
Energy: 0.6452976383472293
Energy: 0.6468770950953774
Energy: 0.6452976383446279
Energy: 0.5317533238008332
Energy: 0.5317987442783026
Energy: 0.6155162447513826
Energy: 0.5317987442777823
Energy: 0.6723594025195633
Energy: 0.6273595751544376
Energy: 0.6095422126963714
Energy: 0.6273595751554781
Energy: 0.6760884717469225
Energy: 0.5617455145469782
Energy: 0.6103553260114813
Energy: 0.5617455145474984
Energy: 0.6158163883420614
Energy: 0.530151085578035
Energy: 0.7192755240310302
Energy: 0.5301510855785553
Energy: 0.533507728962177
Energy: 0.5237055390727746
Energy: 0.7179330613479661
Energy: 0.523705539075376
Energy: 0.5210759697807952
Energy: 0.5198367641782988
Energy: 0.5990477962094288
Energy: 0.519836764178819
Energy: 0.5277504743132108
Energy: 0.5207827685585971
Energy: 0.5184493778110789
Energy: 0.5207827685606782
Energy: 0.7122755499271528
Energy: 0.5216542409823154
Energy: 0.6645336026874769
Energy: 0.5216542409791939
Energy: 0.6117022018537029
Energy: 0.5620002132845292
Energy: 0.6160459961817988
Energy: 0.5620002132881708
Energy: 0.6214595783637648
Energy: 0.531008154175615
Energy: 0.5391703890130698
Energy: 0.5310081543051114
Energy: 0.7160442832593651
Energy: 0.5328307473055844
Energy: 0.6323322379904349
Energy: 0.5328307473092262
Energy: 0.722018145952583
Energy: 0.5526793679034959
Energy: 0.5564668735631101
Energy: 0.5526793679034959
Energy: 0.5348928113227628
Energy: 0.5303495260199831
Energy: 0.5324857035720593
Energy: 0.5303495260184222
Energy: 0.6718648779807965
Energy: 0.5315757487215571
Energy: 0.5390025106628761
Energy: 0.5315757487220772
Energy: 0.7658950629056286
Energy: 0.5306792580657229
Energy: 0.5347609775998962
Energy: 0.5306792580657229
Energy: 0.5335782878984308
Energy: 0.5331319353034553
Energy: 0.716082826933973
Energy: 0.5331319353039755
Energy: 0.533213087217563
Energy: 0.5309331857286185
Energy: 0.7104141733148286
Energy: 0.5309331857286185
Energy: 0.5591002005282238
Energy: 0.5328542996598884
Energy: 0.6742054402443511
Energy: 0.5328542996604086
Energy: 0.5594608178445692
Energy: 0.631423241343651
Energy: 0.7561785863989753
Energy: 0.6314232413431305
Energy: 0.6120212789599734
Energy: 0.531460165723577
Energy: 0.5350997358483247
Energy: 0.5314601657230568
Energy: 0.6102055701434257
Energy: 0.6279106762126909
Energy: 0.6709373157328264
Energy: 0.6279106762132113
Energy: 0.5980086466918059
Energy: 0.5606192814896457
Energy: 0.6728837687481465
Energy: 0.5606192814880848
Energy: 0.7205550801874507
Energy: 0.5206441951366967
Energy: 0.6133887247191239
Energy: 0.5206441951372169
Energy: 0.7164684808996457
Energy: 0.5221707337258391
Energy: 0.531280481716339
Energy: 0.5221707337263592
Energy: 0.5885707463918267
Energy: 0.520250212615496
Energy: 0.5232734081718406
Energy: 0.5202502126160162
Energy: 0.7571597224529231
Energy: 0.521339326241016
Energy: 0.5299689505322389
Energy: 0.5213393262420565
Energy: 0.6717900531047906
Energy: 0.5210547510032583
Energy: 0.7229137895207828
Energy: 0.5210547510048191
Energy: 0.6130736335681203
Energy: 0.6279022978725223
Energy: 0.6090323483500191
Energy: 0.6279022978714818
Energy: 0.5402780646779131
Energy: 0.530644046738058
Energy: 0.6163465800913649
Energy: 0.5306440467370175
Energy: 0.6150464382595022
Energy: 0.5327872236065689
Energy: 0.7180860065512025
Energy: 0.532787223606096
Energy: 0.5609009731329373
Energy: 0.5472592942888048
Energy: 0.7188321859733794
Energy: 0.5472592942872442
Energy: 0.5306614785982916
Energy: 0.5301717801805123
Energy: 0.5352706278327733
Energy: 0.5301717801805123
Energy: 0.5381692752129417
Energy: 0.5323522856516404
Energy: 0.6743149906044466
Energy: 0.5323522856516404
Energy: 0.7353833368676627
Energy: 0.5498420463373783
Energy: 0.7621838903796664
Energy: 0.5498420463389392
Energy: 0.7634044245703706
Energy: 0.5327394840126645
Energy: 0.5309197501093535
Energy: 0.5327394840131846
Energy: 0.7342078334348551
Energy: 0.5307844888461378
Energy: 0.5310548246866229
Energy: 0.5307844888466581
Energy: 0.6724941350623355
Energy: 0.5321706049747706
Energy: 0.5658544442741668
Energy: 0.5321706049763315

minimum gb energy = 0.5184493778110789 eV
minimum distance =  2.54627755339661 Angstroms
sigma value = 89


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

Energy: 1.0166227332789328
Energy: 0.5268811584677104
Energy: 0.5276743241413647
Energy: 0.5268811584690717
Energy: 0.577887838581555
Energy: 0.5784886262851061
Energy: 0.5791983092829355
Energy: 0.5784886262851061
Energy: 0.5817039199946102
Energy: 0.5783215127514684
Energy: 0.6705737490491194
Energy: 0.5783215127528297
Energy: 0.5798001574467483
Energy: 0.57733360492906
Energy: 0.478938749217972
Energy: 0.5773336049276988
Energy: 0.577882466750411
Energy: 0.4783541972787207
Energy: 0.6103055428709813
Energy: 0.4783541972800819
Energy: 0.5718060186146295
Energy: 0.48822510602243074
Energy: 0.6101616495745867
Energy: 0.48822510602379204
Energy: 0.5569112472193374
Energy: 0.47841063778272863
Energy: 0.47861786095719633
Energy: 0.47841063778272863
Energy: 0.5545057342904598
Energy: 0.48051793477312227
Energy: 0.47847277073286176
Energy: 0.48051793477448346
Energy: 0.5778810412325538
Energy: 0.4788330732966465
Energy: 0.47843892157455037
Energy: 0.4788330732966465
Energy: 0.653449394074014
Energy: 0.5525607290551822
Energy: 0.4784141508188277
Energy: 0.5525607290551822
Energy: 0.5776036292083258
Energy: 0.5271812030872319
Energy: 0.5788182584021846
Energy: 0.5271812030845094
Energy: 0.6099848700820462
Energy: 0.5269637762029321
Energy: 0.4793054189517637
Energy: 0.5269637762042932
Energy: 0.6108185881859759
Energy: 0.5262666481986935
Energy: 0.5262047396557945
Energy: 0.5262666481986935
Energy: 0.5780727686997401
Energy: 0.5259499377420254
Energy: 0.5254368492180881
Energy: 0.5259499377420254
Energy: 0.6239479104265244
Energy: 0.5462015109345408
Energy: 0.5446430012315541
Energy: 0.5462015109331796

minimum gb energy = 0.4783541972787207 eV
minimum distance =  2.55982598588544 Angstroms
sigma value = 13


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

Energy: 0.7872039468145211
Energy: 0.6229379825421176
Energy: 0.6245305504519506
Energy: 0.6229379825455408
Energy: 0.6794408405985848
Energy: 0.47513264668920685
Energy: 0.5540572543726625
Energy: 0.4751326466994768
Energy: 0.7274073826445315
Energy: 0.4744020661227052
Energy: 0.5519889461480315
Energy: 0.4744020661249874
Energy: 0.6200002231594559
Energy: 0.4749512137803569
Energy: 0.5639015254578001
Energy: 0.47495121378663296
Energy: 0.5812418115091399
Energy: 0.47520465790795635
Energy: 0.6775648034073798
Energy: 0.4752046579085269
Energy: 0.5530215167290334
Energy: 0.4748620440203632
Energy: 0.6759746278477274
Energy: 0.47486204402321597
Energy: 0.5535446020934153
Energy: 0.47446285258380605
Energy: 0.6537366118968476
Energy: 0.47446285258323545
Energy: 0.5522648268606286
Energy: 0.47537965542063043
Energy: 0.681971327226365
Energy: 0.47537965541777766
Energy: 0.4812318556350229
Energy: 0.47660762855515587
Energy: 0.6841384200576516
Energy: 0.47660762854716815
Energy: 0.47726012906482623
Energy: 0.47459471481045445
Energy: 0.6886199365797137
Energy: 0.47459471481330723
Energy: 0.4742704980689035
Energy: 0.4756560279789685
Energy: 0.7866517992125933
Energy: 0.47565602799375106
Energy: 0.6769377238978643
Energy: 0.4746614064128957
Energy: 0.6889163722503072
Energy: 0.4746614064168896
Energy: 0.6787309772787469
Energy: 0.5014657061492314
Energy: 0.6770713298089375
Energy: 0.501465706156078
Energy: 0.6551099279323884
Energy: 0.5036886235114525
Energy: 0.6215314844759583
Energy: 0.5036886235046059
Energy: 0.6862030841275996
Energy: 0.47578690933251405
Energy: 0.65245405586069
Energy: 0.47578690933936074
Energy: 0.687143129132083
Energy: 0.4758259995587499
Energy: 0.4742962088507693
Energy: 0.4758259995576088
Energy: 0.6818019727687159
Energy: 0.474670630136436
Energy: 0.4776249759396355
Energy: 0.4746706301461354
Energy: 0.7256217649249285
Energy: 0.4753704580683346
Energy: 0.48821550761311655
Energy: 0.4753704580643407
Energy: 0.6206006712438658
Energy: 0.4761100300716582
Energy: 0.5673893253321581
Energy: 0.4761100300779343
Energy: 0.6878394307707757
Energy: 0.4742637785896017
Energy: 0.5499628550796305
Energy: 0.474263778581614
Energy: 0.6186080267441709
Energy: 0.47614006035315104
Energy: 0.5527830783242085
Energy: 0.47614006036108697
Energy: 0.6879803135276017
Energy: 0.5095977164409663
Energy: 0.6763319957783652
Energy: 0.5095977164306963
Energy: 0.5556334602984818
Energy: 0.47535337332165684
Energy: 0.6777425522257025
Energy: 0.4753533733273624
Energy: 0.4781053532068925
Energy: 0.4741338154581778
Energy: 0.6593895371398067
Energy: 0.4741338154519017
Energy: 0.5571434304046742
Energy: 0.48913889193593874
Energy: 0.6820174918423014
Energy: 0.4891388919422148
Energy: 0.4932189408638192
Energy: 0.4773223502576265
Energy: 0.6861557144229442
Energy: 0.47732235024963876
Energy: 0.4746240259114261
Energy: 0.47411038905960673
Energy: 0.5771918050164248
Energy: 0.4741103890658828
Energy: 0.47458268842677764
Energy: 0.4764210768298366
Energy: 0.7254299405404289
Energy: 0.4764210768252722
Energy: 0.6777042423422913
Energy: 0.47513019910373677
Energy: 0.6215907280508134
Energy: 0.47513019909917237
Energy: 0.5486537476169775
Energy: 0.5034889295615396
Energy: 0.6798262260215961
Energy: 0.5034889295598278
Energy: 0.6829389597187432
Energy: 0.5062687877398502
Energy: 0.6195929439762511
Energy: 0.5062687877569667
Energy: 0.6837849952313217
Energy: 0.47540670568603777
Energy: 0.5685021112316465
Energy: 0.47540670567633836
Energy: 0.6859903607237283
Energy: 0.47573648698787907
Energy: 0.4747940603605551
Energy: 0.4757364869758974
Energy: 0.6567921607448739
Energy: 0.47415513330457276
Energy: 0.4747322172631678
Energy: 0.47415513330457276
Energy: 0.6199840578462886
Energy: 0.4743373806112921
Energy: 0.4780058003545481
Energy: 0.47433738061186265

minimum gb energy = 0.47411038905960673 eV
minimum distance =  2.56978416863054 Angstroms
sigma value = 37


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

Energy: 0.7652350483207283
Energy: 0.4615657189666869
Energy: 0.45206288274246914
Energy: 0.4615657189578523
Energy: 0.6917217948859948
Energy: 0.4526311754155637
Energy: 0.5715551731423902
Energy: 0.4526311754155637
Energy: 0.7077803779121153
Energy: 0.452377989737089
Energy: 0.5701899973457639
Energy: 0.4523779897361073
Energy: 0.7071627063422017
Energy: 0.5520014454199526
Energy: 0.5822959444223044
Energy: 0.5520014454189709
Energy: 0.691203046028701
Energy: 0.4449786706322398
Energy: 0.6159777050666311
Energy: 0.4449786706322398
Energy: 0.5657846211499219
Energy: 0.44496008988379127
Energy: 0.6939859235048397
Energy: 0.44496008988379127
Energy: 0.5024361483378674
Energy: 0.4448777173446103
Energy: 0.6644913489260877
Energy: 0.4448777173446103
Energy: 0.5653332152544487
Energy: 0.43437738676186455
Energy: 0.6449663417509316
Energy: 0.43437738676186455
Energy: 0.4934018271633672
Energy: 0.4457267067899061
Energy: 0.6157966619745717
Energy: 0.4457267067889244
Energy: 0.49449158166585605
Energy: 0.4339159628684804
Energy: 0.6621856233630798
Energy: 0.433915962869462
Energy: 0.5470076832640287
Energy: 0.5478807132449308
Energy: 0.6828876783670143
Energy: 0.5478807132439492
Energy: 0.6095748233267132
Energy: 0.43394010813934397
Energy: 0.6635398911692354
Energy: 0.43394010814032563
Energy: 0.6227189387770407
Energy: 0.445107128534876
Energy: 0.7075033652031532
Energy: 0.44510712853585754
Energy: 0.6907444385279096
Energy: 0.486217611937866
Energy: 0.7070101613724143
Energy: 0.48621761193982926
Energy: 0.6159777050676127
Energy: 0.4982152891259789
Energy: 0.6639834251749457
Energy: 0.4982152891269605
Energy: 0.6405551693436503
Energy: 0.4979964971565963
Energy: 0.5691525205058289
Energy: 0.4979964971575779
Energy: 0.6910377779795225
Energy: 0.5668964678909545
Energy: 0.5025269377082117
Energy: 0.5668964678909545
Energy: 0.6449663417627111
Energy: 0.5032256399088441
Energy: 0.4449041014776586
Energy: 0.5032256399088441
Energy: 0.6157966621001741
Energy: 0.45346971767840616
Energy: 0.45274182189270346
Energy: 0.45346971768135097
Energy: 0.6915878129091595
Energy: 0.4527210044789078
Energy: 0.45250404750265755
Energy: 0.4527210044789078

minimum gb energy = 0.4339159628684804 eV
minimum distance =  2.55787828001963 Angstroms
sigma value = 25


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

Energy: 0.8153449520752591
Energy: 0.4013026762308791
Energy: 0.40464145343706115
Energy: 0.40130267622014787
Energy: 0.7340549981998216
Energy: 0.402042051415252
Energy: 0.4970530541821173
Energy: 0.4020420514175516
Energy: 0.7243941244363024
Energy: 0.40121564507981844
Energy: 0.495097471064472
Energy: 0.40121564508058494
Energy: 0.5823262835221988
Energy: 0.4024950795574759
Energy: 0.6080018080626783
Energy: 0.4024950795574759
Energy: 0.7298088237987826
Energy: 0.4447178588895354
Energy: 0.6581883184079296
Energy: 0.4447178588880024
Energy: 0.5856359934207529
Energy: 0.4418806516535716
Energy: 0.6582832356989444
Energy: 0.44188065165203855
Energy: 0.5849197705759845
Energy: 0.4445680042108361
Energy: 0.7307099877272867
Energy: 0.4445680042116026
Energy: 0.6080468982754573
Energy: 0.40251731040414374
Energy: 0.6560237185730121
Energy: 0.4025173104033773
Energy: 0.49505842839284975
Energy: 0.40118463611406235
Energy: 0.7285283186808876
Energy: 0.4011846361148288
Energy: 0.4998771868403694
Energy: 0.40193348208955704
Energy: 0.7352383636627954
Energy: 0.40193348208955704
Energy: 0.4013813144269886
Energy: 0.40183137942139063
Energy: 0.6980685609632893
Energy: 0.4018313794183246
Energy: 0.40516856507394244
Energy: 0.4014515021882391
Energy: 0.7349556045673546
Energy: 0.4014515021890056
Energy: 0.4016720812764507
Energy: 0.4020822942894809
Energy: 0.7250650313725726
Energy: 0.40208229428718134
Energy: 0.49354165951198004
Energy: 0.40346395452498185
Energy: 0.7237470189549047
Energy: 0.4034639545234488
Energy: 0.49425663680892407
Energy: 0.4013378273339854
Energy: 0.7310767203114947
Energy: 0.4013378273347519
Energy: 0.49802650781008717
Energy: 0.4015400239379601
Energy: 0.7247000863944401
Energy: 0.40154002393719357
Energy: 0.6590789251932004
Energy: 0.401967125994819
Energy: 0.721655641497229
Energy: 0.40196712599405254
Energy: 0.49194595432073873
Energy: 0.4447037869722128
Energy: 0.6559412327428344
Energy: 0.44470378697451235
Energy: 0.6611534825640112
Energy: 0.4425279755959765
Energy: 0.5847085614020745
Energy: 0.4425279755959765
Energy: 0.7340920114477947
Energy: 0.44304432660526444
Energy: 0.5853644068619511
Energy: 0.44304432659759935
Energy: 0.698944519788349
Energy: 0.4024365149282773
Energy: 0.4969592735832139
Energy: 0.4024365149244447
Energy: 0.7331166597321899
Energy: 0.40094444255123496
Energy: 0.4022775002146319
Energy: 0.40094444255353445
Energy: 0.7324251390634906
Energy: 0.40234875569573464
Energy: 0.49666482245366794
Energy: 0.40234875569573464
Energy: 0.6591027995757909
Energy: 0.40323089817610247
Energy: 0.4011833160021515
Energy: 0.40323089817533597
Energy: 0.7350920217247272
Energy: 0.40129640651300136
Energy: 0.40204301534507636
Energy: 0.4012964065114684
Energy: 0.7272998284537645
Energy: 0.4021360421757276
Energy: 0.4042298831610812
Energy: 0.4021360421772606

minimum gb energy = 0.40094444255123496 eV
minimum distance =  2.58494362677338 Angstroms
sigma value = 41


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

Energy: 0.8983942655043677
Energy: 0.37288900966778454
Energy: 0.3729093715131874
Energy: 0.3728890096483036
Energy: 0.7674716459808649
Energy: 0.3739190717050862
Energy: 0.4514362596314622
Energy: 0.3739190717069715
Energy: 0.7609177293370931
Energy: 0.373468137386637
Energy: 0.4521883469955072
Energy: 0.3734681373872654
Energy: 0.6543611761238478
Energy: 0.37408571507042904
Energy: 0.5893942920860324
Energy: 0.37408571506917215
Energy: 0.7646236257477644
Energy: 0.3723440859081231
Energy: 0.5903424287695221
Energy: 0.37234408590623785
Energy: 0.6480262679500765
Energy: 0.49265098773380833
Energy: 0.5881548790175319
Energy: 0.4926509877344367
Energy: 0.6537029670393921
Energy: 0.40794885630940186
Energy: 0.70909069784958
Energy: 0.40794885630940186
Energy: 0.6548444127602111
Energy: 0.41039048628599095
Energy: 0.5870070824352069
Energy: 0.41039048630170133
Energy: 0.5243371865303802
Energy: 0.49264195756972123
Energy: 0.7043735776075174
Energy: 0.49264195757097806
Energy: 0.5251390108009052
Energy: 0.37258212436356836
Energy: 0.7675703969072458
Energy: 0.3725821243654536
Energy: 0.449485619130835
Energy: 0.37461780984497584
Energy: 0.7971863513459888
Energy: 0.37461780984497584
Energy: 0.450455175401922
Energy: 0.3731140249400927
Energy: 0.7670707900079703
Energy: 0.3731140249394642
Energy: 0.4547290693463209
Energy: 0.3741433933374754
Energy: 0.7043839308108563
Energy: 0.37414339333936064
Energy: 0.37365239542751144
Energy: 0.37478749573590653
Energy: 0.7066421592106062
Energy: 0.37478749573653497
Energy: 0.37478149998629695
Energy: 0.37332044713595874
Energy: 0.7618205226781679
Energy: 0.37332044713595874
Energy: 0.37547397393398263
Energy: 0.3744800518600879
Energy: 0.7684541454888973
Energy: 0.37448005185820266
Energy: 0.4492186437544396
Energy: 0.37426243407008514
Energy: 0.7582063284811213
Energy: 0.3742624340681999
Energy: 0.4450336980559308
Energy: 0.37233246698974193
Energy: 0.7640757421624266
Energy: 0.37233246698848516
Energy: 0.44976031180875153
Energy: 0.37337418715565207
Energy: 0.6514948872132464
Energy: 0.37337418715690884
Energy: 0.5886002992645709
Energy: 0.3730670753062334
Energy: 0.6493494098988768
Energy: 0.3730670753043482
Energy: 0.6061676394565353
Energy: 0.4911238227869238
Energy: 0.7055311730539902
Energy: 0.4911238227862954
Energy: 0.5941920491577569
Energy: 0.4916469387544956
Energy: 0.6542720462732525
Energy: 0.49164693875009663
Energy: 0.7045271773325485
Energy: 0.4057088261474691
Energy: 0.6468567934491187
Energy: 0.40570882614495546
Energy: 0.5863489686669745
Energy: 0.4903370126694582
Energy: 0.5917835216654257
Energy: 0.49033701266882984
Energy: 0.706400989902966
Energy: 0.49091933079941996
Energy: 0.5150272492254114
Energy: 0.49091933080004835
Energy: 0.7084549734300469
Energy: 0.3729910559387217
Energy: 0.5892177356821778
Energy: 0.3729910559368365
Energy: 0.7092738739275297
Energy: 0.3737446083183711
Energy: 0.44923429117341923
Energy: 0.3737446083183711
Energy: 0.7646449494489651
Energy: 0.44451182709014736
Energy: 0.44381513182887
Energy: 0.44451182710145887
Energy: 0.7105214925694644
Energy: 0.3750520073485283
Energy: 0.4533836249444675
Energy: 0.37505200734664307
Energy: 0.7088746695517149
Energy: 0.37403922785418464
Energy: 0.3737797908889347
Energy: 0.37403922785481303
Energy: 0.7654756978497144
Energy: 0.3731139476867499
Energy: 0.3742007183451961
Energy: 0.37311394768235095
Energy: 0.7578094190576714
Energy: 0.37474050188371444
Energy: 0.3729388696659398
Energy: 0.3747405018843428

minimum gb energy = 0.37233246698848516 eV
minimum distance =  2.57509376960336 Angstroms
sigma value = 15


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

Energy: 0.7792041439478953
Energy: 0.3538184622488875
Energy: 0.35415546300964357
Energy: 0.3538184668139439
Energy: 0.7356752320580642
Energy: 0.3499509448342179
Energy: 0.4177546290807823
Energy: 0.34995094483475025
Energy: 0.7865474104466416
Energy: 0.3498395056649684
Energy: 0.4170113248221373
Energy: 0.34983950566390365
Energy: 0.6981262729246858
Energy: 0.35143436113592125
Energy: 0.5444049120634205
Energy: 0.3514343611321948
Energy: 0.789477151973558
Energy: 0.3498479832249518
Energy: 0.5340614577592971
Energy: 0.3498479832265489
Energy: 0.6879789189443067
Energy: 0.35497718929099553
Energy: 0.5355286674407994
Energy: 0.35497718929206024
Energy: 0.58973216421922
Energy: 0.35383687121718904
Energy: 0.6413790112290102
Energy: 0.35383687121612434
Energy: 0.6918875498067548
Energy: 0.3792747943777677
Energy: 0.5328901262227169
Energy: 0.3792747943729764
Energy: 0.5886021895079306
Energy: 0.5540194306142502
Energy: 0.6375645609104703
Energy: 0.5540194306158471
Energy: 0.5878319814211952
Energy: 0.3811886162774038
Energy: 0.7354437626087946
Energy: 0.3811886162710155
Energy: 0.5349448758376182
Energy: 0.35561497482650484
Energy: 0.6473712586754249
Energy: 0.3556149748259725
Energy: 0.47154061610663645
Energy: 0.3488071146850624
Energy: 0.7351854515257122
Energy: 0.34880711469091835
Energy: 0.5364829544123219
Energy: 0.3496838396858666
Energy: 0.7366927091726114
Energy: 0.3496838396858666
Energy: 0.41168533930017576
Energy: 0.35075478688716055
Energy: 0.645099938255951
Energy: 0.3507547868866282
Energy: 0.41002325421527047
Energy: 0.34900325669157006
Energy: 0.7870800427541453
Energy: 0.34900325669263477
Energy: 0.4231473230366739
Energy: 0.35087663556004955
Energy: 0.7431663727925197
Energy: 0.35087663556217896
Energy: 0.3497023001224725
Energy: 0.35062830270175904
Energy: 0.7426092267192622
Energy: 0.35062830269856493
Energy: 0.34938597105357483
Energy: 0.3490992054284557
Energy: 0.7838896521491607
Energy: 0.3490992054305852
Energy: 0.34952908535308114
Energy: 0.35118203729497105
Energy: 0.6937525267164507
Energy: 0.35118203729230923
Energy: 0.423955937772668
Energy: 0.35084976276419877
Energy: 0.7895667679369004
Energy: 0.3508497627663282
Energy: 0.40748316938396223
Energy: 0.349385383073227
Energy: 0.7840725779347825
Energy: 0.3493853830742917
Energy: 0.4126459679874806
Energy: 0.35090891050876927
Energy: 0.6960561893350048
Energy: 0.35090891050770456
Energy: 0.537171798287703
Energy: 0.35056418606590606
Energy: 0.689491222241951
Energy: 0.35056418606590606
Energy: 0.5328349805692052
Energy: 0.34863995896165356
Energy: 0.7367939050474689
Energy: 0.3486399589520711
Energy: 0.5340504809045715
Energy: 0.35511307111416385
Energy: 0.5941643068538177
Energy: 0.35511307112268153
Energy: 0.6383201837373609
Energy: 0.3808798717357387
Energy: 0.7368046982025094
Energy: 0.3808798717399976
Energy: 0.5334121834389811
Energy: 0.5544479524823405
Energy: 0.6393710355119551
Energy: 0.5544479524828727
Energy: 0.6458991824819195
Energy: 0.37840000918536865
Energy: 0.5946370038690975
Energy: 0.37840000918643335
Energy: 0.6424518607174757
Energy: 0.3533344981644731
Energy: 0.6412508646609988
Energy: 0.35333449820652924
Energy: 0.6399662557248463
Energy: 0.35459882599919684
Energy: 0.536214622265018
Energy: 0.3545988259912115
Energy: 0.7431386849708865
Energy: 0.3496101857636352
Energy: 0.4723259800555512
Energy: 0.3496101857641675
Energy: 0.644847792001149
Energy: 0.35088035549280644
Energy: 0.5348152856960005
Energy: 0.3508803554890799
Energy: 0.7371212035071594
Energy: 0.3495546815872221
Energy: 0.4190800797491223
Energy: 0.3495546815872221
Energy: 0.7874825939189775
Energy: 0.3500077293754495
Energy: 0.41718581255242554
Energy: 0.35000772937811125
Energy: 0.7370720395168255
Energy: 0.3517005625298071
Energy: 0.41681358310883837
Energy: 0.3517005625330012
Energy: 0.7348408865627196
Energy: 0.35020749730229284
Energy: 0.3539651329100214
Energy: 0.35020749730548695
Energy: 0.7848063966583737
Energy: 0.35044563041670446
Energy: 0.3545943978593572
Energy: 0.3504456304161721

minimum gb energy = 0.3486399589520711 eV
minimum distance =  2.57314468147793 Angstroms
sigma value = 85


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

Energy: 0.8264760296671635
Energy: 0.31603897070678233
Energy: 0.316113047103123
Energy: 0.31603897074000475
Energy: 0.7899036411341365
Energy: 0.3167024809675148
Energy: 0.36762989269754887
Energy: 0.3167024809679765
Energy: 0.7040016298943305
Energy: 0.31639495692028635
Energy: 0.3672224297034597
Energy: 0.3163949569216715
Energy: 0.6151105253212729
Energy: 0.31731467401027297
Energy: 0.4790017259005715
Energy: 0.3173146740088878
Energy: 0.792439058171378
Energy: 0.3159279419160063
Energy: 0.47820090906087664
Energy: 0.3159279419173915
Energy: 0.6159776932169496
Energy: 0.31602273451166546
Energy: 0.4803254017517621
Energy: 0.31602273451166546
Energy: 0.6156269931581859
Energy: 0.31609366889414675
Energy: 0.5717302411635822
Energy: 0.3160936688932233
Energy: 0.6612242140498146
Energy: 0.31693059281773733
Energy: 0.47466044655483725
Energy: 0.31693059281635216
Energy: 0.6163126240015635
Energy: 0.3168858905017301
Energy: 0.5719032804996782
Energy: 0.31688589085063895
Energy: 0.6161439061980885
Energy: 0.36472550195399056
Energy: 0.6596013375182401
Energy: 0.36472550192721115
Energy: 0.5721638792711976
Energy: 0.31708459366625924
Energy: 0.6137806179519645
Energy: 0.317084593673185
Energy: 0.528021560923899
Energy: 0.3169402083401337
Energy: 0.6596629780934894
Energy: 0.3169402083599874
Energy: 0.5710863898412885
Energy: 0.3171708964444667
Energy: 0.6584803718704103
Energy: 0.31717089645968227
Energy: 0.4785950916862123
Energy: 0.3172881816448455
Energy: 0.5706845601225606
Energy: 0.3172881816356322
Energy: 0.418490894499833
Energy: 0.31595617643829593
Energy: 0.7459645043773672
Energy: 0.31595617643552565
Energy: 0.4778963394554782
Energy: 0.3163769967545506
Energy: 0.6624986118041225
Energy: 0.3163769967545506
Energy: 0.3672910386029167
Energy: 0.3171158292594013
Energy: 0.6589436218284184
Energy: 0.31711582925984194
Energy: 0.3667853904493
Energy: 0.31592150291402255
Energy: 0.7889273562888303
Energy: 0.31592150291540766
Energy: 0.3678880520108498
Energy: 0.31743446936931063
Energy: 0.7437724899788928
Energy: 0.3174344693799091
Energy: 0.3164976200261353
Energy: 0.31848482755115776
Energy: 0.7436436273992345
Energy: 0.3184848275493109
Energy: 0.3169311815841707
Energy: 0.3164552299935464
Energy: 0.7919636460400346
Energy: 0.3164552299949316
Energy: 0.3162699987724828
Energy: 0.31853157664349596
Energy: 0.7004220243628443
Energy: 0.3185315766430342
Energy: 0.3668746924873705
Energy: 0.3176162805588666
Energy: 0.7850776602653867
Energy: 0.31761628055932833
Energy: 0.3698189119111009
Energy: 0.31598332841824045
Energy: 0.789826513131254
Energy: 0.31598332841962556
Energy: 0.367311088355505
Energy: 0.317611770535825
Energy: 0.6152055205687719
Energy: 0.31761177053490164
Energy: 0.4789478755597318
Energy: 0.31605377193465767
Energy: 0.790029585696394
Energy: 0.3160537719374279
Energy: 0.4784229659173697
Energy: 0.3159892671739993
Energy: 0.7026219559997782
Energy: 0.31598926717261416
Energy: 0.5716429542169496
Energy: 0.3162160463813673
Energy: 0.6156337311068102
Energy: 0.3162160463956805
Energy: 0.572590838500578
Energy: 0.31692212175876033
Energy: 0.7466377105941613
Energy: 0.31692212174539164
Energy: 0.5727123609454191
Energy: 0.3168613224549345
Energy: 0.6163782528408418
Energy: 0.31686132248584836
Energy: 0.6604406690859184
Energy: 0.31719108498572546
Energy: 0.5277979656249343
Energy: 0.31719108498480203
Energy: 0.5703061573742172
Energy: 0.3170166954971526
Energy: 0.6603130833374192
Energy: 0.31701669552252587
Energy: 0.6594209332218461
Energy: 0.31680036292207653
Energy: 0.5260144732074628
Energy: 0.3168003629382365
Energy: 0.7457779081690815
Energy: 0.31614322915885684
Energy: 0.5260352197929776
Energy: 0.316143229153778
Energy: 0.5708497138261998
Energy: 0.31768974345141765
Energy: 0.5480721901914417
Energy: 0.31768974344913004
Energy: 0.7467726084943138
Energy: 0.315974456632387
Energy: 0.476593415849304
Energy: 0.3159744566296167
Energy: 0.7462969642835994
Energy: 0.3160974306477053
Energy: 0.47964833192776085
Energy: 0.3160974306477053
Energy: 0.6592317079834192
Energy: 0.3175928481380743
Energy: 0.3676673591064159
Energy: 0.3175928481376126
Energy: 0.7899261922739298
Energy: 0.31595699308080283
Energy: 0.3683650527116115
Energy: 0.3159569930812645
Energy: 0.7439436886421039
Energy: 0.3176594054278103
Energy: 0.3673258549600764
Energy: 0.3176594054278103
Energy: 0.6604029132453502
Energy: 0.31753506258781794
Energy: 0.3163716365594357
Energy: 0.3175350625859711
Energy: 0.7889238267490855
Energy: 0.3165287482021219
Energy: 0.3165489197441832
Energy: 0.3165287482021219
Energy: 0.7005927607901843
Energy: 0.31734055456426047
Energy: 0.3163289742858914
Energy: 0.31734055456472215

minimum gb energy = 0.31592150291402255 eV
minimum distance =  2.579274513254 Angstroms
sigma value = 113


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

Energy: 0.013637428795556876
Energy: 0.3183724033478333
Energy: 0.6397712825968861
Energy: 0.3183724033520138
Energy: 0.39206804144503593
Energy: 0.07522277328138863
Energy: 0.3929332094881419
Energy: 0.07522277328103369
Energy: 0.014053768784380624
Energy: 0.07484587607669935
Energy: 0.39153557125748883
Energy: 0.07484587607703458
Energy: 0.015165104868054497
Energy: 0.07415491212232397
Energy: 0.39121267124747755
Energy: 0.074154912123724
Energy: 0.3923534142303661
Energy: 0.07412599471441286
Energy: 0.3920323107916528
Energy: 0.07412599471441286
Energy: 0.014092532263876436
Energy: 0.07455294667679276
Energy: 0.3911189267597813
Energy: 0.07455294667645752

minimum gb energy = 0.013637428795556876 eV
minimum distance =  2.82239881562127 Angstroms
sigma value = 1