model_name=EAM_Dynamo_MendelevSrolovitzAckland_2005_AlFe__MO_577453891941_005
a1=[1, 0, 0]
a2=[0, 1, 0]
a3=[0, 0, 1]
species=Al
theta_min=0.0
theta_max=90.0
max_denominator=15
short_name=fcc
cutoff_distance=0.5
x_repeat=1
z_repeat=1
min_cell_height=10.0
offset_top=[0.0, 0.0, 0.0]
offset_bottom=[0.0, 0.0, 0.0]
a=4.03330184519291
cohesive_energy=3.369970499585708
mass=26.981538


Isolated atom energy: 0.0 eV

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

Energy: 0.01044201844084128
Energy: 0.01044201845464153
Energy: 0.010442018436922343
Energy: 0.010442018449714869
Energy: 0.01044201846351512
Energy: 0.010442018448735135
Energy: 0.010442018435914618
Energy: 0.01044201844036541
Energy: 0.010442018455145393
Energy: 0.01044201843837795
Energy: 0.010442018439385675
Energy: 0.010442018446747674
Energy: 0.010442018441345142
Energy: 0.010442018442324875
Energy: 0.01044201846351512
Energy: 0.445849204446489
Energy: 0.010442018436922343
Energy: 0.01044201846399099
Energy: 0.010442018456600997
Energy: 0.01044201846152766
Energy: 0.010442018453157934
Energy: 0.010442018444312338
Energy: 0.010442018454137666
Energy: 0.010442018461051786
Energy: 0.010442018464970722
Energy: 0.010442018456600997
Energy: 0.010442018462031523
Energy: 0.010442018436922343
Energy: 0.010442018459568192
Energy: 0.010442018435438748
   minimum gb energy = 0.010442018435438748 eV
   minimum distance = 2.85187619931341 Angstroms
   sigma value = 1

========================================
theta = 7.628149668580709
========================================

Energy: 0.4410930395411139
Energy: 0.39516858658478776
Energy: 0.39516857763785523
Energy: 0.4077138839594368
Energy: 0.3951506331024191
Energy: 0.3951506323575191
Energy: 0.40338392018505426
Energy: 0.39899488688167206
Energy: 0.3989948868646308
Energy: 0.4147513535678397
Energy: 0.3992824670034765
Energy: 0.39928244670026847
Energy: 0.41648787196906006
Energy: 0.39551488365070586
Energy: 0.39551448351797824
Energy: 0.375070908037771
Energy: 0.4023553925848355
Energy: 0.4023553924685556
Energy: 0.4156174150093483
Energy: 0.3955145416009271
Energy: 0.39551492714528874
Energy: 0.4194044699646722
Energy: 0.4019183513689466
Energy: 0.4019181532706106
Energy: 0.4099660242346887
Energy: 0.45415440470120055
Energy: 0.45415448145538806
Energy: 0.42193263134304254
Energy: 0.402355409633281
Energy: 0.4023553956227389
   minimum gb energy = 0.375070908037771 eV
   minimum distance = 2.62072237192228 Angstroms
   sigma value = 113

========================================
theta = 8.171233559949753
========================================

Energy: 0.4544027323411787
Energy: 0.41082858312444914
Energy: 0.4108283546393744
Energy: 0.38399315732309663
Energy: 0.41218871672443935
Energy: 0.4121887148982615
Energy: 0.4053125417762117
Energy: 0.4112518735839036
Energy: 0.4112519036475671
Energy: 0.41617425155624443
Energy: 0.4126431815320982
Energy: 0.41264325855934875
Energy: 0.3933801605344631
Energy: 0.4108111129827672
Energy: 0.41081109528110477
Energy: 0.44562921240705256
Energy: 0.41264282842325084
Energy: 0.41264316257965916
Energy: 0.417174699604165
Energy: 0.4112522516907644
Energy: 0.4112522496845822
Energy: 0.3978547063203736
Energy: 0.41264316253262384
Energy: 0.41264317838669673
Energy: 0.42686408577858487
Energy: 0.411252244514746
Energy: 0.4112527945514247
Energy: 0.401738498822205
Energy: 0.4205858498448942
Energy: 0.4205858493522994
   minimum gb energy = 0.38399315732309663 eV
   minimum distance = 2.61674731477926 Angstroms
   sigma value = 197

========================================
theta = 8.797410709991064
========================================

Energy: 0.4689676339626652
Energy: 0.42069814323833477
Energy: 0.42069814157988306
Energy: 0.41406369975387736
Energy: 0.42065800504719597
Energy: 0.4206580053293183
Energy: 0.44446383686913976
Energy: 0.42670535196037257
Energy: 0.4267080585826838
Energy: 0.4257384437878708
Energy: 0.4924074743693652
Energy: 0.49240750994737986
Energy: 0.45022773874972216
Energy: 0.4265922095053746
Energy: 0.42659221498716215
Energy: 0.39770587013243286
Energy: 0.4288174419460462
Energy: 0.42881744199248834
Energy: 0.4306103956381237
Energy: 0.4337106063638298
Energy: 0.43371985223395176
Energy: 0.4332096236222365
Energy: 0.5382522949173001
Energy: 0.5382548882114697
Energy: 0.4541120407505507
Energy: 0.43372319843222823
Energy: 0.43372644958067913
Energy: 0.41702348223843827
Energy: 0.428817441896169
Energy: 0.4288174419520919
   minimum gb energy = 0.39770587013243286 eV
   minimum distance = 2.61689458021992 Angstroms
   sigma value = 169

========================================
theta = 9.527283381452357
========================================

Energy: 0.48384784402076486
Energy: 0.4388663998940988
Energy: 0.4388665575087395
Energy: 0.4416877144523167
Energy: 0.500917636463556
Energy: 0.5009175660790733
Energy: 0.44270566082739427
Energy: 0.4361022774106913
Energy: 0.4361022776949299
Energy: 0.45198178567575487
Energy: 0.4395324740343045
Energy: 0.43953283893777867
Energy: 0.45010952844033947
Energy: 0.5105031227644558
Energy: 0.510503127952052
Energy: 0.4722107493482284
Energy: 0.44644329648888725
Energy: 0.4464484468034582
Energy: 0.45010987491751225
Energy: 0.516051533490204
Energy: 0.5160515379653998
Energy: 0.42755659603696144
Energy: 0.43953258223570735
Energy: 0.43953267069969215
Energy: 0.45840147084555355
Energy: 0.43071011261111364
Energy: 0.43071002134292263
Energy: 0.4454813163483127
Energy: 0.46450203144403374
Energy: 0.4645018929316818
   minimum gb energy = 0.42755659603696144 eV
   minimum distance = 2.58545191039032 Angstroms
   sigma value = 145

========================================
theta = 10.388857815469612
========================================

Energy: 0.5079389497281099
Energy: 0.46439217990624243
Energy: 0.4643922208955207
Energy: 0.47496814952949473
Energy: 0.45543747718486616
Energy: 0.4554375616899901
Energy: 0.4477357298341269
Energy: 0.45103393442597695
Energy: 0.4510339344322215
Energy: 0.45299196159795063
Energy: 0.46526778375787886
Energy: 0.46526784833302864
Energy: 0.48413371191393595
Energy: 0.4787980222000628
Energy: 0.47879802309844616
Energy: 0.4287381076583628
Energy: 0.4640295089209184
Energy: 0.46402940268372156
Energy: 0.4804345848316808
Energy: 0.4620634998255091
Energy: 0.46206350858271383
Energy: 0.48043403572685167
Energy: 0.4508552732047014
Energy: 0.45085565405629185
Energy: 0.43360148442315033
Energy: 0.4531321431205273
Energy: 0.45313217466020633
Energy: 0.4713132910158274
Energy: 0.47293383994710253
Energy: 0.47293359154637854
   minimum gb energy = 0.4287381076583628 eV
   minimum distance = 2.55940932253005 Angstroms
   sigma value = 61

========================================
theta = 11.421186274999284
========================================

Energy: 0.5143104375077489
Energy: 0.47169278935850256
Energy: 0.47169286127091276
Energy: 0.48475002829631186
Energy: 0.4727775490837197
Energy: 0.47277768699373246
Energy: 0.47543615681487983
Energy: 0.4792266434789719
Energy: 0.47922671670167644
Energy: 0.4667922686239994
Energy: 0.5448764771235104
Energy: 0.5448765715383632
Energy: 0.49738208579975707
Energy: 0.47602043615692224
Energy: 0.47602045321835584
Energy: 0.5023780924432681
Energy: 0.49446842310645994
Energy: 0.4944755550685587
Energy: 0.46382296074723195
Energy: 0.4867003834612038
Energy: 0.4867002708319397
Energy: 0.468463981639123
Energy: 0.4760203854974255
Energy: 0.47602037193757457
Energy: 0.4754349536784485
Energy: 0.4792267916996499
Energy: 0.4792267372906299
Energy: 0.49246754504717355
Energy: 0.4716928525949123
Energy: 0.4716928536724406
   minimum gb energy = 0.46382296074723195 eV
   minimum distance = 2.59081215417394 Angstroms
   sigma value = 101

========================================
theta = 12.68038349181982
========================================

Energy: 0.5228398597759106
Energy: 0.49985368878933273
Energy: 0.4998538040377906
Energy: 0.4974428494808267
Energy: 0.5006296874217789
Energy: 0.5006297423021713
Energy: 0.4701726635642698
Energy: 0.5006295716066592
Energy: 0.500629574935359
Energy: 0.45634311290221624
Energy: 0.5006295929971695
Energy: 0.5006297101761455
Energy: 0.47559441319902074
Energy: 0.4997846477586494
Energy: 0.4997843534436927
Energy: 0.4637303871703572
Energy: 0.49978430395358714
Energy: 0.49978449094024574
Energy: 0.46773907901629835
Energy: 0.5006294695413877
Energy: 0.5006296958210072
Energy: 0.4701726441320743
Energy: 0.5006297388119355
Energy: 0.5006295680446571
Energy: 0.49417255314973174
Energy: 0.5006295989013938
Energy: 0.500629736321284
Energy: 0.524196857547555
Energy: 0.4998535372378135
Energy: 0.4998539708684083
   minimum gb energy = 0.45634311290221624 eV
   minimum distance = 2.59190881695629 Angstroms
   sigma value = 81

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

Energy: 0.533293152127251
Energy: 0.5214716149745658
Energy: 0.5214716463229622
Energy: 0.5150095275175633
Energy: 0.5009112259920008
Energy: 0.5009112621547684
Energy: 0.5285182649248121
Energy: 0.5050546060165974
Energy: 0.5050546956004235
Energy: 0.5353404017118386
Energy: 0.5115450443970586
Energy: 0.5115448883086792
Energy: 0.5192306014264098
Energy: 0.525038970735547
Energy: 0.5250546105174937
Energy: 0.5219251662240172
Energy: 0.5249982975153795
Energy: 0.5250619997710706
Energy: 0.5353407056891365
Energy: 0.5202959985784008
Energy: 0.5202919077129844
Energy: 0.5353423538436356
Energy: 0.5050546949560427
Energy: 0.5050502490065857
Energy: 0.5150095130652833
Energy: 0.50091124801461
Energy: 0.5009112156131887
Energy: 0.5336248334198788
Energy: 0.5187092139232483
Energy: 0.5187092077193154
   minimum gb energy = 0.5009112156131887 eV
   minimum distance = 2.54809348932035 Angstroms
   sigma value = 1

========================================
theta = 15.18928673718289
========================================

Energy: 0.5562075052500274
Energy: 0.5384909611811423
Energy: 0.5384885038979216
Energy: 0.5521766898184649
Energy: 0.5160438057769543
Energy: 0.516043899117066
Energy: 0.5272523528838985
Energy: 0.5334055295966212
Energy: 0.533410429008995
Energy: 0.5197718789424072
Energy: 0.5368077247475511
Energy: 0.536807724728994
Energy: 0.5283217570937488
Energy: 0.5520394973962024
Energy: 0.5520394594345261
Energy: 0.5018816617741789
Energy: 0.5173435665707669
Energy: 0.5173436094976923
Energy: 0.5026932566815523
Energy: 0.5374793286282655
Energy: 0.5374796277749804
Energy: 0.5252633237688449
Energy: 0.5443157481178966
Energy: 0.5443166473505021
Energy: 0.4771150159336255
Energy: 0.5438516929364954
Energy: 0.5438516856158869
Energy: 0.5539924539817936
Energy: 0.5398214150982752
Energy: 0.5398213442423399
   minimum gb energy = 0.4771150159336255 eV
   minimum distance = 2.52377461203028 Angstroms
   sigma value = 229

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

Energy: 0.5532557111977909
Energy: 0.5440098498127001
Energy: 0.5440097629900004
Energy: 0.5779383064102684
Energy: 0.5231210167438801
Energy: 0.5231227567505281
Energy: 0.5808765371751747
Energy: 0.5441356986595973
Energy: 0.5441356903470721
Energy: 0.5122523340365431
Energy: 0.5454978736523631
Energy: 0.5454976268007488
Energy: 0.522870128344343
Energy: 0.5533562092698715
Energy: 0.5533479778239208
Energy: 0.49833047701095406
Energy: 0.5476192678857413
Energy: 0.5476192538840885
Energy: 0.5165778320688926
Energy: 0.5515236355688127
Energy: 0.5515227333979238
Energy: 0.4829564241706231
Energy: 0.5492103311672957
Energy: 0.5492096506366918
Energy: 0.5390177819812918
Energy: 0.5447816856983159
Energy: 0.5447805994084515
Energy: 0.5481319346207099
Energy: 0.5469391353535158
Energy: 0.5469390291694648
   minimum gb energy = 0.4829564241706231 eV
   minimum distance = 2.5214805848117 Angstroms
   sigma value = 25

========================================
theta = 17.49232452511042
========================================

Energy: 0.5830321129307274
Energy: 0.55630346699694
Energy: 0.5563034657423443
Energy: 0.49122775428822335
Energy: 0.5567636914347637
Energy: 0.5567635439904637
Energy: 0.5366196321986065
Energy: 0.5722591838953363
Energy: 0.5722581292654433
Energy: 0.5070636260858373
Energy: 0.5539488358243414
Energy: 0.5539208155703672
Energy: 0.5475154500602241
Energy: 0.5520683933192765
Energy: 0.5520684332341719
Energy: 0.5227540651131958
Energy: 0.5569213980715859
Energy: 0.5569117557397636
Energy: 0.5662396034237971
Energy: 0.5460295235177013
Energy: 0.5460302794408615
Energy: 0.5433635607527351
Energy: 0.5375079778480064
Energy: 0.537502685181142
Energy: 0.5319584401129172
Energy: 0.5642972094202771
Energy: 0.5642975468157088
Energy: 0.5357167797573694
Energy: 0.5702106274086078
Energy: 0.5702078301420382
   minimum gb energy = 0.49122775428822335 eV
   minimum distance = 2.57174325664387 Angstroms
   sigma value = 173

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

Energy: 0.5536717794514785
Energy: 0.5784531877268794
Energy: 0.5784529231590355
Energy: 0.5666435017331819
Energy: 0.5358255005080843
Energy: 0.535826980836242
Energy: 0.531996596913972
Energy: 0.5773515030967712
Energy: 0.5723361535218149
Energy: 0.5382536127273793
Energy: 0.5810306944892615
Energy: 0.581030457566908
Energy: 0.5358268785103677
Energy: 0.5769318056543002
Energy: 0.5769317266353903
Energy: 0.5429853397840659
Energy: 0.5410400576858986
Energy: 0.541039885981569
Energy: 0.5625131823175318
Energy: 0.5693814700984501
Energy: 0.5693819752649383
Energy: 0.5186214386601311
Energy: 0.5599069749069894
Energy: 0.5599069748268424
Energy: 0.5237629309117869
Energy: 0.542980972757825
Energy: 0.5429809890797355
Energy: 0.5673100820625987
Energy: 0.574718484182822
Energy: 0.5747185050561799
   minimum gb energy = 0.5186214386601311 eV
   minimum distance = 2.56598983331821 Angstroms
   sigma value = 9

========================================
theta = 20.609692937532067
========================================

Energy: 0.5813553146808607
Energy: 0.5952911468518594
Energy: 0.5952732365042768
Energy: 0.530802440230344
Energy: 0.6238623706035574
Energy: 0.6238625157174078
Energy: 0.5752094030811794
Energy: 0.5536312555552568
Energy: 0.5536264241327518
Energy: 0.5462444111456878
Energy: 0.5666281532886196
Energy: 0.5666281484585712
Energy: 0.5649434683374991
Energy: 0.5536354676682148
Energy: 0.5536347835641433
Energy: 0.5417524063947347
Energy: 0.5731423050271833
Energy: 0.5731420442758298
Energy: 0.5609980217149558
Energy: 0.5620034965608105
Energy: 0.5620027457250992
Energy: 0.5344614443605998
Energy: 0.5618207406113749
Energy: 0.561820469042807
Energy: 0.5553529379006777
Energy: 0.5495757086264491
Energy: 0.5495756907403233
Energy: 0.5603121280734545
Energy: 0.5654526432870072
Energy: 0.5654544096214684
   minimum gb energy = 0.530802440230344 eV
   minimum distance = 2.51585274929611 Angstroms
   sigma value = 31

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

Energy: 0.5620354366476358
Energy: 0.5595971229598155
Energy: 0.5595971229984413
Energy: 0.571526305442822
Energy: 0.5564018012538169
Energy: 0.5564018020467141
Energy: 0.5540630763882664
Energy: 0.5858895103552059
Energy: 0.585889416624445
Energy: 0.5775897158997098
Energy: 0.5144531209114435
Energy: 0.5144531209384969
Energy: 0.5631952759206452
Energy: 0.5816789796109727
Energy: 0.5816789790633802
Energy: 0.5299361951893318
Energy: 0.556401805314878
Energy: 0.5564018014324758
Energy: 0.5098680687636994
Energy: 0.5595971238174258
Energy: 0.5595971232157481
Energy: 0.5098680712785586
Energy: 0.529936243001652
Energy: 0.5299361945181318
Energy: 0.5431965159378013
Energy: 0.5858894048526864
Energy: 0.5858894411752457
Energy: 0.5431965218425215
Energy: 0.5858995263862827
Energy: 0.5859064555169002
   minimum gb energy = 0.5098680687636994 eV
   minimum distance = 2.54504105694674 Angstroms
   sigma value = 25

========================================
theta = 24.189514154024202
========================================

Energy: 0.6089038037467346
Energy: 0.5911361410163217
Energy: 0.5911371221590179
Energy: 0.5676773163979505
Energy: 0.5642525806889428
Energy: 0.5642526282262926
Energy: 0.5678897144941701
Energy: 0.5450654833725659
Energy: 0.5450652581010356
Energy: 0.565024770605087
Energy: 0.5793861331640988
Energy: 0.5793866472188373
Energy: 0.5675205617443352
Energy: 0.5497974153770848
Energy: 0.5497972947813546
Energy: 0.5675223284409384
Energy: 0.561761897575885
Energy: 0.5617618870839901
Energy: 0.5428897604949874
Energy: 0.5793864234706064
Energy: 0.5793860963875995
Energy: 0.5859998048138657
Energy: 0.6084515416116166
Energy: 0.6084687714720126
Energy: 0.5675232700993113
Energy: 0.5665409110174828
Energy: 0.5665409090329423
Energy: 0.520547312631286
Energy: 0.5793865681180904
Energy: 0.5793866207233979
   minimum gb energy = 0.520547312631286 eV
   minimum distance = 2.53348075329466 Angstroms
   sigma value = 205

========================================
theta = 25.057615418303023
========================================

Energy: 0.5666495951937296
Energy: 0.5947762065426316
Energy: 0.5947762718549691
Energy: 0.5431588122059132
Energy: 0.602968359092728
Energy: 0.6029683295449495
Energy: 0.576666321154497
Energy: 0.6091663291733805
Energy: 0.6091654322049902
Energy: 0.5671018860852794
Energy: 0.5583258323833392
Energy: 0.5583260375912589
Energy: 0.5839427678102733
Energy: 0.5939382017505129
Energy: 0.593938652324805
Energy: 0.5788632830588412
Energy: 0.5839751644518426
Energy: 0.5839756762298842
Energy: 0.5774510935390336
Energy: 0.5631986821174285
Energy: 0.5631983703261574
Energy: 0.541211245126449
Energy: 0.5631979874267077
Energy: 0.5631976318113902
Energy: 0.5737412778112325
Energy: 0.5722354874715684
Energy: 0.5722350494970269
Energy: 0.5676447313877347
Energy: 0.5519924326173692
Energy: 0.5519923982233759
   minimum gb energy = 0.541211245126449 eV
   minimum distance = 2.54241056280719 Angstroms
   sigma value = 85

========================================
theta = 25.98923358383301
========================================

Energy: 0.6159855139575635
Energy: 0.5798588014132049
Energy: 0.5798581686267213
Energy: 0.5474561090342227
Energy: 0.5745591783304229
Energy: 0.5745585418373526
Energy: 0.6038357679622511
Energy: 0.5843744350277199
Energy: 0.5843743780534246
Energy: 0.5749116549453258
Energy: 0.5550849805383391
Energy: 0.554450002151294
Energy: 0.5639568721466867
Energy: 0.6025032512611331
Energy: 0.602502976926107
Energy: 0.5638010153145098
Energy: 0.5671184533059599
Energy: 0.5671184675216706
Energy: 0.5590324740928562
Energy: 0.5922813110047871
Energy: 0.5922814065822839
Energy: 0.5742572952082422
Energy: 0.5541752048394584
Energy: 0.5554357593369429
Energy: 0.5778516459444857
Energy: 0.5772262381844706
Energy: 0.5772263410285412
Energy: 0.5239788232647105
Energy: 0.5792873853065587
Energy: 0.5792869012047827
   minimum gb energy = 0.5239788232647105 eV
   minimum distance = 2.52658319385138 Angstroms
   sigma value = 89

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

Energy: 0.5445186321895497
Energy: 0.5571810318035475
Energy: 0.5571810317199323
Energy: 0.556785817585287
Energy: 0.520516755856154
Energy: 0.5205168249618279
Energy: 0.5975735540848447
Energy: 0.6418964346823418
Energy: 0.6418964336874595
Energy: 0.5205170553432049
Energy: 0.5371593098471724
Energy: 0.5371553238102238
Energy: 0.5481286737010459
Energy: 0.6168508137053036
Energy: 0.6168508135631658
Energy: 0.5205182200846844
Energy: 0.5501645164532075
Energy: 0.5501640069808615
Energy: 0.5681491885434803
Energy: 0.5571810399311684
Energy: 0.5571810335915116
Energy: 0.5205168358257489
Energy: 0.5502337473012359
Energy: 0.5502191827054568
Energy: 0.5078902595071311
Energy: 0.5571810315694575
Energy: 0.5571810322120101
Energy: 0.5363219269736803
Energy: 0.5205167229742225
Energy: 0.5205168377785268
   minimum gb energy = 0.5078902595071311 eV
   minimum distance = 2.63103434273232 Angstroms
   sigma value = 17

========================================
theta = 29.86283435627511
========================================

Energy: 0.6217309899955918
Energy: 0.5859523430666488
Energy: 0.5859523500402469
Energy: 0.538690971424753
Energy: 0.6090526770814451
Energy: 0.609049053300566
Energy: 0.5927447451847843
Energy: 0.5941128908157567
Energy: 0.5941107156133252
Energy: 0.5941992507136776
Energy: 0.588130158133772
Energy: 0.5884099166337877
Energy: 0.5676718146218108
Energy: 0.615112608214425
Energy: 0.6151190666057617
Energy: 0.5902689931703969
Energy: 0.6085248543815939
Energy: 0.6085239263713234
Energy: 0.5904365310330024
Energy: 0.5833366233419307
Energy: 0.583336930198507
Energy: 0.5388458467632421
Energy: 0.5485802211440459
Energy: 0.5485908861810607
Energy: 0.6350679633889756
Energy: 0.6056700015604102
Energy: 0.6056692860731916
Energy: 0.5675345906682013
Energy: 0.5858939615405266
Energy: 0.5886072320402163
   minimum gb energy = 0.538690971424753 eV
   minimum distance = 2.52130064018928 Angstroms
   sigma value = 241

========================================
theta = 30.510237406115554
========================================

Energy: 0.6108217965693398
Energy: 0.5619359441095343
Energy: 0.5619275591011612
Energy: 0.5776739428511446
Energy: 0.5922837408195433
Energy: 0.592282259882244
Energy: 0.6014687804310588
Energy: 0.6336548234738497
Energy: 0.6336576093489036
Energy: 0.5692308002104252
Energy: 0.5752082303491443
Energy: 0.5752082216371892
Energy: 0.547486523882917
Energy: 0.5752082130548041
Energy: 0.5752082282621757
Energy: 0.6181257195567449
Energy: 0.6475465405030878
Energy: 0.647546447605086
Energy: 0.5730545971396119
Energy: 0.6268671452404828
Energy: 0.626867316424289
Energy: 0.5692309121394624
Energy: 0.5460849545819382
Energy: 0.5460848134405849
Energy: 0.5474867509318888
Energy: 0.5899424715030245
Energy: 0.5899421388563136
Energy: 0.5826413987885135
Energy: 0.6278220694813549
Energy: 0.627822064399111
   minimum gb energy = 0.5460848134405849 eV
   minimum distance = 2.54052022688551 Angstroms
   sigma value = 65

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

Energy: 0.5941906200353512
Energy: 0.5919414782351115
Energy: 0.5919414264903515
Energy: 0.5404601234296599
Energy: 0.5815448444796733
Energy: 0.581555421197553
Energy: 0.5403936286916571
Energy: 0.5938865049681922
Energy: 0.5938145358642419
Energy: 0.5660019442223069
Energy: 0.5771819292315952
Energy: 0.5771815875479268
Energy: 0.672205597185848
Energy: 0.5941905339145116
Energy: 0.5941906358786843
Energy: 0.606033501731472
Energy: 0.6136824962822177
Energy: 0.6175935035851673
Energy: 0.5403936435054394
Energy: 0.5937614188041402
Energy: 0.5937609773939344
Energy: 0.5579515544541825
Energy: 0.595486814189405
Energy: 0.5954867074327608
Energy: 0.5763045716391659
Energy: 0.5919415057921312
Energy: 0.5919414835355912
Energy: 0.5404605787918949
Energy: 0.5850585224151476
Energy: 0.5849169764502092
   minimum gb energy = 0.5403936286916571 eV
   minimum distance = 2.63563984060544 Angstroms
   sigma value = 53

========================================
theta = 33.39848846798724
========================================

Energy: 0.5998803057447433
Energy: 0.5680629439510736
Energy: 0.5680627595434287
Energy: 0.6466632058364458
Energy: 0.6218416266741295
Energy: 0.6218398175084705
Energy: 0.5513624607617078
Energy: 0.5957889387275167
Energy: 0.5957887972766189
Energy: 0.5625091772124557
Energy: 0.6350812341582079
Energy: 0.6350813517685653
Energy: 0.6675891509852757
Energy: 0.6425713229966937
Energy: 0.6425619784111039
Energy: 0.5632106793679028
Energy: 0.6484941076156305
Energy: 0.6484935218732236
Energy: 0.5513624476018506
Energy: 0.59002666215968
Energy: 0.5900268121031567
Energy: 0.5975608933682652
Energy: 0.5831979579821002
Energy: 0.5831981177044167
Energy: 0.5998803944133372
Energy: 0.5680624881435312
Energy: 0.5680627937462993
Energy: 0.6155891107591821
Energy: 0.6221656891710702
Energy: 0.622165618923891
   minimum gb energy = 0.5513624476018506 eV
   minimum distance = 2.56087806874595 Angstroms
   sigma value = 109

========================================
theta = 34.20545793810475
========================================

Energy: 0.6160317214113393
Energy: 0.6079809617870342
Energy: 0.6079804998535968
Energy: 0.5639721959709045
Energy: 0.6202711123743525
Energy: 0.6202669626185628
Energy: 0.5855833213327148
Energy: 0.5931619154155784
Energy: 0.5931621522546312
Energy: 0.5507337347158264
Energy: 0.5872286247217499
Energy: 0.5872286251659904
Energy: 0.6593215609775287
Energy: 0.6160317274337624
Energy: 0.6160316735792216
Energy: 0.5507338047722931
Energy: 0.5872286253017553
Energy: 0.5872286232510566
Energy: 0.5855819150252509
Energy: 0.5931614756521573
Energy: 0.5931620283798452
Energy: 0.5639778623126969
Energy: 0.6150439642594604
Energy: 0.6150434510489735
Energy: 0.6160284035116905
Energy: 0.6079804428455758
Energy: 0.6079807037387907
Energy: 0.5639730866069574
Energy: 0.6202668764191788
Energy: 0.6202685774567644
   minimum gb energy = 0.5507337347158264 eV
   minimum distance = 2.53123284844691 Angstroms
   sigma value = 185

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

Energy: 0.49998679902997384
Energy: 0.49998679905645904
Energy: 0.499986802837455
Energy: 0.5726003167766752
Energy: 0.5202072185455561
Energy: 0.5202072267896813
Energy: 0.5117810750483593
Energy: 0.5381459967534875
Energy: 0.5381456568684815
Energy: 0.5786832548842566
Energy: 0.5202072187962794
Energy: 0.5202072277209088
Energy: 0.4999868048509955
Energy: 0.4999867990362057
Energy: 0.4999868012880059
Energy: 0.5726003213456738
Energy: 0.5202072185081654
Energy: 0.5202072195515297
Energy: 0.5117810858463494
Energy: 0.5381454357008181
Energy: 0.5381454437455968
Energy: 0.5786811288708499
Energy: 0.5379485366863931
Energy: 0.5379485402945632
Energy: 0.4999868010341666
Energy: 0.49998679901595233
Energy: 0.4999868750847752
Energy: 0.5726003170678696
Energy: 0.5379120213351658
Energy: 0.5379120202497724
   minimum gb energy = 0.49998679901595233 eV
   minimum distance = 2.61616572156048 Angstroms
   sigma value = 9

========================================
theta = 39.30764811610662
========================================

Energy: 0.5975126375754184
Energy: 0.5992775250401001
Energy: 0.5992797173348928
Energy: 0.6774625243608837
Energy: 0.599571063118897
Energy: 0.5995714832104223
Energy: 0.5771872590644759
Energy: 0.6130264228771451
Energy: 0.6130264028338548
Energy: 0.5770889056273677
Energy: 0.6041589153736902
Energy: 0.6041589176457599
Energy: 0.5761612800799847
Energy: 0.6463088905449924
Energy: 0.6463090051963393
Energy: 0.5762698981205692
Energy: 0.610203040052467
Energy: 0.6102025502673188
Energy: 0.690104937318951
Energy: 0.6457594343564864
Energy: 0.6457585271454086
Energy: 0.5930640041540908
Energy: 0.6746232372311951
Energy: 0.6746277414111482
Energy: 0.665637323527713
Energy: 0.6134297374677125
Energy: 0.6134296101786392
Energy: 0.5762698558394069
Energy: 0.6017779010088281
Energy: 0.6017783876546547
   minimum gb energy = 0.5761612800799847 eV
   minimum distance = 2.58412310704555 Angstroms
   sigma value = 221

========================================
theta = 39.96621304379996
========================================

Energy: 0.6098209755467459
Energy: 0.6146223494036785
Energy: 0.614625386490355
Energy: 0.5538128468492924
Energy: 0.6100394171708039
Energy: 0.6100394284437366
Energy: 0.5479382001545373
Energy: 0.5910683331030528
Energy: 0.5910683857300274
Energy: 0.5612748228469742
Energy: 0.6319983294848444
Energy: 0.6319980202649625
Energy: 0.5883220562588125
Energy: 0.6174469348994615
Energy: 0.6174481255344724
Energy: 0.6427480920217377
Energy: 0.6059939107937535
Energy: 0.6059939108362467
Energy: 0.7086541031472612
Energy: 0.5479381937977739
Energy: 0.5479382012942744
Energy: 0.6454177349184443
Energy: 0.5465628079044051
Energy: 0.5465627918949375
Energy: 0.6765737819821028
Energy: 0.6108372188837321
Energy: 0.6108318290951901
Energy: 0.6486508365379706
Energy: 0.6077066652377111
Energy: 0.6076974598469159
   minimum gb energy = 0.5465627918949375 eV
   minimum distance = 2.56742459897713 Angstroms
   sigma value = 137

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

Energy: 0.5685880911446836
Energy: 0.6466192502842718
Energy: 0.6466191309436512
Energy: 0.699285516072383
Energy: 0.5731852170748902
Energy: 0.5731852170287867
Energy: 0.6217991025002154
Energy: 0.6545470308143279
Energy: 0.6545502968043547
Energy: 0.5731852164247487
Energy: 0.672148061940759
Energy: 0.6721486990235814
Energy: 0.6215729268857892
Energy: 0.6371676702260075
Energy: 0.6371676811815655
Energy: 0.5731852167117756
Energy: 0.6641752509973573
Energy: 0.6641751140406692
Energy: 0.6962572378533631
Energy: 0.6607338701783868
Energy: 0.6607333419630501
Energy: 0.5751912084289824
Energy: 0.622244358306968
Energy: 0.6222429970184407
Energy: 0.6649302479354047
Energy: 0.5894263329255994
Energy: 0.589426301863517
Energy: 0.5741878951998514
Energy: 0.5894261743090717
Energy: 0.5894263842164242
   minimum gb energy = 0.5685880911446836 eV
   minimum distance = 2.56213743415729 Angstroms
   sigma value = 73

========================================
theta = 42.075022050843636
========================================

Energy: 0.6185148225210472
Energy: 0.6246554267388281
Energy: 0.6246399299988791
Energy: 0.6024917139710789
Energy: 0.6141045749258808
Energy: 0.6141006938296578
Energy: 0.6054137324614831
Energy: 0.6295136327129787
Energy: 0.6295177877003459
Energy: 0.5658194324009677
Energy: 0.6253221931281623
Energy: 0.6253229893564302
Energy: 0.6233064871525563
Energy: 0.6030791169004867
Energy: 0.6030798273962443
Energy: 0.5709314777371058
Energy: 0.6241529016048422
Energy: 0.6241528987357421
Energy: 0.5686495411022711
Energy: 0.6340471616175763
Energy: 0.6340493039664635
Energy: 0.5938981234991529
Energy: 0.6101908209342742
Energy: 0.610194345307745
Energy: 0.5867128196827417
Energy: 0.5999523370729664
Energy: 0.5999523826121232
Energy: 0.5888297603558944
Energy: 0.6412105328057569
Energy: 0.64120965313386
   minimum gb energy = 0.5658194324009677 eV
   minimum distance = 2.58443583297995 Angstroms
   sigma value = 97

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

Energy: 0.6035059553901747
Energy: 0.617117826019728
Energy: 0.6171176724923855
Energy: 0.5863672619539257
Energy: 0.607005121644987
Energy: 0.6059053161016695
Energy: 0.5944315444084374
Energy: 0.6166612371590506
Energy: 0.6166612702530639
Energy: 0.578950556914411
Energy: 0.6182991603546725
Energy: 0.6182994419299574
Energy: 0.7228934569351174
Energy: 0.5650774314745607
Energy: 0.5664585788863421
Energy: 0.6454152827371511
Energy: 0.6115672394848578
Energy: 0.6115672379211367
Energy: 0.6185761518061995
Energy: 0.5810841481673862
Energy: 0.5810837741885676
Energy: 0.6217127876366969
Energy: 0.6371838784913649
Energy: 0.6371929921612185
Energy: 0.6209827837221683
Energy: 0.6223159275036891
Energy: 0.6223414521987346
Energy: 0.5848714540883998
Energy: 0.6309016513405566
Energy: 0.630905679432559
   minimum gb energy = 0.5650774314745607 eV
   minimum distance = 2.52371636903515 Angstroms
   sigma value = 7

========================================
theta = 45.23972989608085
========================================

Energy: 0.5894972460957713
Energy: 0.5965140117135633
Energy: 0.5965150443466254
Energy: 0.5791921153328714
Energy: 0.6520985437488165
Energy: 0.6520984905103139
Energy: 0.6750347853487059
Energy: 0.626227459923609
Energy: 0.6262272794041532
Energy: 0.6048009299247603
Energy: 0.6191158486723453
Energy: 0.6191164457530843
Energy: 0.5915474414944574
Energy: 0.6625034368631478
Energy: 0.6625044698155471
Energy: 0.5909975546578947
Energy: 0.6468969086497923
Energy: 0.6468970110485555
Energy: 0.6048446542879992
Energy: 0.5835360480710715
Energy: 0.5835360493949997
Energy: 0.7249620131334693
Energy: 0.5821220725917358
Energy: 0.5821220758559075
Energy: 0.6064873781216624
Energy: 0.6411817952090355
Energy: 0.641181464841968
Energy: 0.5873994072675507
Energy: 0.6476722596285973
Energy: 0.6476749479683538
   minimum gb energy = 0.5791921153328714 eV
   minimum distance = 2.52914413801096 Angstroms
   sigma value = 169

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

Energy: 0.5900389356570199
Energy: 0.6013972442650133
Energy: 0.6013971487431491
Energy: 0.6152395793126523
Energy: 0.5873050236385498
Energy: 0.587305014315011
Energy: 0.6396462174384518
Energy: 0.6059986692527106
Energy: 0.6059983129606611
Energy: 0.5891665797474266
Energy: 0.5939824938536978
Energy: 0.5939828692648579
Energy: 0.5900389395282893
Energy: 0.6190355885500503
Energy: 0.6190350900641028
Energy: 0.634650348370769
Energy: 0.5935438384457179
Energy: 0.5935439288431451
Energy: 0.5856871111394666
Energy: 0.6550849025282623
Energy: 0.6550849237139612
Energy: 0.5909301630302609
Energy: 0.6375399622410101
Energy: 0.6375392704139193
Energy: 0.6994103276014132
Energy: 0.612626795412247
Energy: 0.6126268197501832
Energy: 0.5893219435855795
Energy: 0.6158679869659686
Energy: 0.6158632386014048
   minimum gb energy = 0.5856871111394666 eV
   minimum distance = 2.5509339456818 Angstroms
   sigma value = 29

========================================
theta = 47.92497794915637
========================================

Energy: 0.622379020029118
Energy: 0.6103032809848992
Energy: 0.6103022359738013
Energy: 0.6065057697369126
Energy: 0.6404705299134912
Energy: 0.6404688871598867
Energy: 0.6537262085909037
Energy: 0.5959635374178139
Energy: 0.5959644138158675
Energy: 0.6023219667180894
Energy: 0.627618287631049
Energy: 0.627584525885459
Energy: 0.6018468208689566
Energy: 0.6344166474985984
Energy: 0.6344172676723153
Energy: 0.6379274475332152
Energy: 0.6207212075733215
Energy: 0.6207208537495754
Energy: 0.599404612943575
Energy: 0.621058885496713
Energy: 0.6210528617513837
Energy: 0.6017854535583014
Energy: 0.6534290764385473
Energy: 0.6534294978958965
Energy: 0.6214433586000471
Energy: 0.6420952102927174
Energy: 0.6420952220433149
Energy: 0.696960638027673
Energy: 0.6331009787398373
Energy: 0.6331010052890955
   minimum gb energy = 0.5959635374178139 eV
   minimum distance = 2.56051049444858 Angstroms
   sigma value = 97

========================================
theta = 48.88790956083307
========================================

Energy: 0.6046667028379303
Energy: 0.6100806667280055
Energy: 0.6100808367372662
Energy: 0.6022721369022177
Energy: 0.6465246717898873
Energy: 0.6464949956901967
Energy: 0.6136200019248431
Energy: 0.6231021954466027
Energy: 0.6230917375539328
Energy: 0.6012837129358374
Energy: 0.6260106324301343
Energy: 0.6260085493696107
Energy: 0.6484529903578294
Energy: 0.5929458826621761
Energy: 0.5929458586434909
Energy: 0.638761917969563
Energy: 0.6652348667924458
Energy: 0.6652348640043834
Energy: 0.5874291959720033
Energy: 0.6013560049453097
Energy: 0.6013558464257723
Energy: 0.6048220010124347
Energy: 0.5941377375251402
Energy: 0.5941544819625687
Energy: 0.6033451498844804
Energy: 0.6672105648321108
Energy: 0.6672365142883145
Energy: 0.5872930823225714
Energy: 0.6111172053877917
Energy: 0.6111174097838605
   minimum gb energy = 0.5872930823225714 eV
   minimum distance = 2.54397498065839 Angstroms
   sigma value = 73

========================================
theta = 49.55028113766384
========================================

Energy: 0.6058675150927987
Energy: 0.6110481711833383
Energy: 0.6110312907283545
Energy: 0.6723401901021437
Energy: 0.5991279094460223
Energy: 0.5991279650738733
Energy: 0.5942806758944027
Energy: 0.6379744063875766
Energy: 0.6379729572667856
Energy: 0.7070218960954434
Energy: 0.5930307378205251
Energy: 0.5930312228119522
Energy: 0.6051810258067826
Energy: 0.6398528038249872
Energy: 0.6412507140057951
Energy: 0.6315991239494512
Energy: 0.595241852804839
Energy: 0.5945730630571017
Energy: 0.601446732309376
Energy: 0.6540316300254021
Energy: 0.6540369172099114
Energy: 0.6206373003989829
Energy: 0.5991412958313063
Energy: 0.5991630908889434
Energy: 0.6071826245825024
Energy: 0.6119107472211875
Energy: 0.6119092021857976
Energy: 0.6276577352689798
Energy: 0.6066135460453813
Energy: 0.6066148819266489
   minimum gb energy = 0.5930307378205251 eV
   minimum distance = 2.55455020490198 Angstroms
   sigma value = 205

========================================
theta = 50.033786956200046
========================================

Energy: 0.6058074983427373
Energy: 0.6116693695346692
Energy: 0.6116696592966059
Energy: 0.6001387929948875
Energy: 0.6396487439700232
Energy: 0.6396447949788345
Energy: 0.5982063081767806
Energy: 0.6423916676419913
Energy: 0.6423914003129256
Energy: 0.6008838820793951
Energy: 0.6353612316147677
Energy: 0.6353592713793135
Energy: 0.6017909711450894
Energy: 0.6102076291358374
Energy: 0.610202320605122
Energy: 0.6158383365322512
Energy: 0.6102538225421927
Energy: 0.6102459982528571
Energy: 0.6456043902158382
Energy: 0.5967298621528848
Energy: 0.5967442926102154
Energy: 0.6714133109867553
Energy: 0.5995315136953842
Energy: 0.5995195747933882
Energy: 0.6188147386294046
Energy: 0.5993377440036571
Energy: 0.5995938040122217
Energy: 0.6330433656657785
Energy: 0.5958775098594741
Energy: 0.5958775120829634
   minimum gb energy = 0.5958775098594741 eV
   minimum distance = 2.55543660640172 Angstroms
   sigma value = 137

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

Energy: 0.5806229180077784
Energy: 0.6016883214391944
Energy: 0.6016882708344895
Energy: 0.6006360319307376
Energy: 0.5806229179815646
Energy: 0.5806230042915863
Energy: 0.6120430079009345
Energy: 0.5808380415365098
Energy: 0.580838043314198
Energy: 0.5806229220483001
Energy: 0.5590284887484074
Energy: 0.559028486278742
Energy: 0.5806229205954689
Energy: 0.5806229179236285
Energy: 0.5806229176327218
Energy: 0.5806229176364522
Energy: 0.5808380512213084
Energy: 0.5808380498342999
Energy: 0.6266268022420206
Energy: 0.5894674578741853
Energy: 0.5894674550711252
Energy: 0.5806229176487956
Energy: 0.5806230023982764
Energy: 0.5806229177412829
Energy: 0.5806229859984616
Energy: 0.5806229176827209
Energy: 0.5806229188023577
Energy: 0.6266266683787978
Energy: 0.5894674550389523
Energy: 0.5894674580884782
   minimum gb energy = 0.559028486278742 eV
   minimum distance = 2.6324478925013 Angstroms
   sigma value = 5

========================================
theta = 56.144973871705915
========================================

Energy: 0.5818828584050417
Energy: 0.6056674958989718
Energy: 0.6056677167923452
Energy: 0.5735515597280494
Energy: 0.6364883597933464
Energy: 0.636489810152076
Energy: 0.5703513298068463
Energy: 0.6118382977698894
Energy: 0.6118355398531873
Energy: 0.5731099198510597
Energy: 0.5707995522262784
Energy: 0.5707995243288341
Energy: 0.6022431850416233
Energy: 0.6021628829099522
Energy: 0.6010738588810611
Energy: 0.657660305654022
Energy: 0.5695158082779074
Energy: 0.5695141786532747
Energy: 0.5774342221512854
Energy: 0.5828523696514863
Energy: 0.5828509372858991
Energy: 0.578649619544734
Energy: 0.5767690282396912
Energy: 0.5767688052664502
Energy: 0.5812391293115191
Energy: 0.5759887241143832
Energy: 0.5759904720900696
Energy: 0.583165462328934
Energy: 0.6621851131934575
Energy: 0.6621936121403097
   minimum gb energy = 0.5695141786532747 eV
   minimum distance = 2.58708723525944 Angstroms
   sigma value = 289

========================================
theta = 56.60151153201276
========================================

Energy: 0.5780823804723074
Energy: 0.604181007882005
Energy: 0.6041812526611595
Energy: 0.572422298563576
Energy: 0.6123679894063908
Energy: 0.6123680211835635
Energy: 0.6099285702750052
Energy: 0.5649951388700983
Energy: 0.5649910778452786
Energy: 0.5789568508807517
Energy: 0.5785462633829398
Energy: 0.5785415204805001
Energy: 0.5683622155417652
Energy: 0.6196622803668989
Energy: 0.6196619315868785
Energy: 0.6302790372733174
Energy: 0.5878822873516142
Energy: 0.5878801642267785
Energy: 0.5655739097304505
Energy: 0.6122292183833814
Energy: 0.6122306152054503
Energy: 0.5741758075616149
Energy: 0.6811472635366823
Energy: 0.679964979665722
Energy: 0.585114981024641
Energy: 0.5726311207762897
Energy: 0.5726311086482124
Energy: 0.5903382315788274
Energy: 0.5684844364844394
Energy: 0.5684831176184285
   minimum gb energy = 0.5649910778452786 eV
   minimum distance = 2.56729017981553 Angstroms
   sigma value = 109

========================================
theta = 57.22091933193044
========================================

Energy: 0.5732299815868235
Energy: 0.6020895190263217
Energy: 0.6020896662567127
Energy: 0.5753197094612362
Energy: 0.5989840043013654
Energy: 0.5989841411306197
Energy: 0.5826348979761884
Energy: 0.5975363436222005
Energy: 0.5975474064944508
Energy: 0.5657091456557365
Energy: 0.6054826747720183
Energy: 0.6054825578140344
Energy: 0.5729633389622512
Energy: 0.5937994537304766
Energy: 0.5937994902506791
Energy: 0.6191181430371508
Energy: 0.5618178495191795
Energy: 0.5618177900802309
Energy: 0.561677409452449
Energy: 0.6717812887743383
Energy: 0.6717827524631262
Energy: 0.5601136086287615
Energy: 0.6075053797603901
Energy: 0.6075045598295714
Energy: 0.5860794620134708
Energy: 0.5656901738431117
Energy: 0.5656901662826683
Energy: 0.5580556856528758
Energy: 0.6113305549722853
Energy: 0.6113307241027018
   minimum gb energy = 0.5580556856528758 eV
   minimum distance = 2.55080758749553 Angstroms
   sigma value = 157

========================================
theta = 58.10920819815429
========================================

Energy: 0.5666408793278706
Energy: 0.5987454834928118
Energy: 0.5987454059678198
Energy: 0.5725304887426507
Energy: 0.5589697668052909
Energy: 0.5589695988194848
Energy: 0.5509776926472519
Energy: 0.6771990445953103
Energy: 0.677199404367468
Energy: 0.5632493566002101
Energy: 0.571297123709942
Energy: 0.5712970928514706
Energy: 0.6345692311128941
Energy: 0.6105788202834145
Energy: 0.6105799612957973
Energy: 0.6255824254338657
Energy: 0.5484643889176775
Energy: 0.5484643327931069
Energy: 0.5978211937599742
Energy: 0.5509778363876632
Energy: 0.5509777031350979
Energy: 0.5501655502945546
Energy: 0.5555091931035018
Energy: 0.5555092628617282
Energy: 0.5607522252136458
Energy: 0.5562375108544434
Energy: 0.5562377104630474
Energy: 0.5532480459365278
Energy: 0.6073509627777275
Energy: 0.6073528811440597
   minimum gb energy = 0.5484643327931069 eV
   minimum distance = 2.5589299458573 Angstroms
   sigma value = 53

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

Energy: 0.5549860341743077
Energy: 0.5708246443611743
Energy: 0.570824669134825
Energy: 0.5924789093172188
Energy: 0.5452702397597804
Energy: 0.5452698978386193
Energy: 0.547785369491631
Energy: 0.5755149076054021
Energy: 0.5755148251527352
Energy: 0.589733585395648
Energy: 0.5452700356683191
Energy: 0.5452700376491534
Energy: 0.5581864795164413
Energy: 0.6344467949896219
Energy: 0.6344467949767891
Energy: 0.6054077741697578
Energy: 0.564072812225403
Energy: 0.564070930105381
Energy: 0.5525732576046695
Energy: 0.6344467927363581
Energy: 0.6344468069119313
Energy: 0.6212161461359316
Energy: 0.57451654682761
Energy: 0.5745161541607139
Energy: 0.5452700316027951
Energy: 0.6103099108578348
Energy: 0.610306054988384
Energy: 0.6475594660730315
Energy: 0.542687740853285
Energy: 0.5426877485549125
   minimum gb energy = 0.542687740853285 eV
   minimum distance = 2.57727056987635 Angstroms
   sigma value = 1

========================================
theta = 60.512874327058526
========================================

Energy: 0.5704153121161867
Energy: 0.5622862316060899
Energy: 0.5622864256299175
Energy: 0.5613031320518956
Energy: 0.55520490690836
Energy: 0.5552050201176887
Energy: 0.5438264576761166
Energy: 0.5488964910745149
Energy: 0.5488964118143542
Energy: 0.5483832176661553
Energy: 0.6123388233433118
Energy: 0.6123326145767378
Energy: 0.6003623935698364
Energy: 0.579384046917547
Energy: 0.579383935368236
Energy: 0.5462574937145553
Energy: 0.6389357524588619
Energy: 0.6389359712928462
Energy: 0.627550401751292
Energy: 0.592327019176758
Energy: 0.5923264813663413
Energy: 0.5353570619500501
Energy: 0.6013395647170322
Energy: 0.601341101512182
Energy: 0.542285327269075
Energy: 0.6607869444791887
Energy: 0.6607869447081822
Energy: 0.5588752959201997
Energy: 0.558476047398477
Energy: 0.5584790942393804
   minimum gb energy = 0.5353570619500501 eV
   minimum distance = 2.55020208373613 Angstroms
   sigma value = 3

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

Energy: 0.6093774649289596
Energy: 0.5809288951298415
Energy: 0.5809290006560004
Energy: 0.5240984222866953
Energy: 0.6279761169754424
Energy: 0.6279765972376645
Energy: 0.5139965039249732
Energy: 0.5653598642187307
Energy: 0.5653599119192207
Energy: 0.5210055517452297
Energy: 0.6142743442408797
Energy: 0.6142743622262111
Energy: 0.5583418765364285
Energy: 0.5435320931226064
Energy: 0.5435403437784452
Energy: 0.6783423037156519
Energy: 0.5277909753515732
Energy: 0.5277909970140344
Energy: 0.5782432385588506
Energy: 0.5277909921435767
Energy: 0.5277909850874382
Energy: 0.6129415681030841
Energy: 0.5136746750913188
Energy: 0.513674675614936
Energy: 0.5305759031594433
Energy: 0.6277586687454699
Energy: 0.6277572810449195
Energy: 0.5275355448619147
Energy: 0.6630867757352799
Energy: 0.663086765427676
   minimum gb energy = 0.5136746750913188 eV
   minimum distance = 2.56481005697485 Angstroms
   sigma value = 17

========================================
theta = 63.2150044924978
========================================

Energy: 0.5514343230624492
Energy: 0.5422500608820556
Energy: 0.5422502091230662
Energy: 0.5218969729366716
Energy: 0.6141131235407562
Energy: 0.6141131549022839
Energy: 0.5260240307199577
Energy: 0.612220473322886
Energy: 0.6122198316513641
Energy: 0.5859737085103481
Energy: 0.5731914458765263
Energy: 0.5731914461165689
Energy: 0.6088632419691173
Energy: 0.520594546518135
Energy: 0.5205959735423177
Energy: 0.5565893559491302
Energy: 0.5459450947895604
Energy: 0.5459442876414586
Energy: 0.5459354752804919
Energy: 0.5286425264814828
Energy: 0.5286425526057317
Energy: 0.5140653459831661
Energy: 0.6137629155620375
Energy: 0.6137668114727413
Energy: 0.5229286066991695
Energy: 0.6956978689792831
Energy: 0.6956978688754143
Energy: 0.5154666673629037
Energy: 0.6684766751567607
Energy: 0.6684891451396976
   minimum gb energy = 0.5140653459831661 eV
   minimum distance = 2.55479225460037 Angstroms
   sigma value = 233

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

Energy: 0.5426031925973607
Energy: 0.5239490380515979
Energy: 0.5239489846683746
Energy: 0.5193821446466661
Energy: 0.5885219618229741
Energy: 0.5885219829501115
Energy: 0.5354226324098053
Energy: 0.525443609216261
Energy: 0.5254434727975426
Energy: 0.5376246980425843
Energy: 0.5997988437418373
Energy: 0.5997988935759715
Energy: 0.5199928755234537
Energy: 0.5835311604606724
Energy: 0.5835310695185
Energy: 0.5194797122766939
Energy: 0.6310173885057427
Energy: 0.6310173882431585
Energy: 0.5199929100882492
Energy: 0.5373573705588595
Energy: 0.5373575174493298
Energy: 0.6270430040698581
Energy: 0.532314788126878
Energy: 0.5323119445970419
Energy: 0.5191254061137618
Energy: 0.527333240727859
Energy: 0.5273332419148765
Energy: 0.5143825303553919
Energy: 0.6077923214153528
Energy: 0.6077919124749065
   minimum gb energy = 0.5143825303553919 eV
   minimum distance = 2.58052263212615 Angstroms
   sigma value = 89

========================================
theta = 64.94238458169698
========================================

Energy: 0.5606961550052957
Energy: 0.5276124461061379
Energy: 0.5276123120360141
Energy: 0.5473739798614541
Energy: 0.5525667998225636
Energy: 0.5525650011993088
Energy: 0.5151614646651992
Energy: 0.7126918055666189
Energy: 0.7126935437017285
Energy: 0.5638117358679697
Energy: 0.509722707888033
Energy: 0.5097227070582575
Energy: 0.5039241460001396
Energy: 0.673928759664219
Energy: 0.6739287752722833
Energy: 0.6362044163329481
Energy: 0.5576084122066245
Energy: 0.5576084120581608
Energy: 0.5091712120131334
Energy: 0.5584522520591543
Energy: 0.5584524509042184
Energy: 0.5483508381318021
Energy: 0.5744909264020585
Energy: 0.5744909255900422
Energy: 0.5095282606542888
Energy: 0.5614291024121577
Energy: 0.5614290984245225
Energy: 0.6498564329508255
Energy: 0.5707553128740604
Energy: 0.570755313084802
   minimum gb energy = 0.5039241460001396 eV
   minimum distance = 2.5350776027042 Angstroms
   sigma value = 85

========================================
theta = 65.4704525442152
========================================

Energy: 0.5307474284799895
Energy: 0.6487417312736176
Energy: 0.6487418396895634
Energy: 0.5094974034912007
Energy: 0.6554857823315571
Energy: 0.6554855330134578
Energy: 0.5098710636552721
Energy: 0.5106347055443076
Energy: 0.5106347084833269
Energy: 0.550224458128027
Energy: 0.518662739900301
Energy: 0.5186619094011777
Energy: 0.5048212711318656
Energy: 0.5052143916414547
Energy: 0.5052143940318785
Energy: 0.5071368574903028
Energy: 0.5378970657606615
Energy: 0.5378973999095981
Energy: 0.5073570644591856
Energy: 0.5446590554574107
Energy: 0.5446591793738006
Energy: 0.5021614870844824
Energy: 0.5834639834631683
Energy: 0.583462358912663
Energy: 0.5236635472147741
Energy: 0.5248166952229255
Energy: 0.5248135671797748
Energy: 0.5801347817151438
Energy: 0.5852489386638725
Energy: 0.5852489236253186
   minimum gb energy = 0.5021614870844824 eV
   minimum distance = 2.54005393135148 Angstroms
   sigma value = 69

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

Energy: 0.47363602099117114
Energy: 0.473636020880554
Energy: 0.47363602036290203
Energy: 0.48527901862480155
Energy: 0.5006869655539654
Energy: 0.5006869641635812
Energy: 0.48933819871199924
Energy: 0.4852788948898203
Energy: 0.48527903955161966
Energy: 0.47783040428090506
Energy: 0.48527898651612217
Energy: 0.48527889430117704
Energy: 0.4778304041962187
Energy: 0.4852788768257244
Energy: 0.4852790624424969
Energy: 0.6891728028144709
Energy: 0.4778304041975851
Energy: 0.4778304041989515
Energy: 0.47783040421261563
Energy: 0.5006870747881687
Energy: 0.5006869642045423
Energy: 0.47297061043596744
Energy: 0.5502536346224355
Energy: 0.5502535795505212
Energy: 0.47297059724775053
Energy: 0.48527896653579145
Energy: 0.4852789035271777
Energy: 0.4778304042112492
Energy: 0.4852789014033417
Energy: 0.4852789146475504
   minimum gb energy = 0.47297059724775053 eV
   minimum distance = 2.60468573564341 Angstroms
   sigma value = 13

========================================
theta = 69.39030706246794
========================================

Energy: 0.5693943763067927
Energy: 0.6299484449683073
Energy: 0.6299484476857069
Energy: 0.4744199033301425
Energy: 0.5654581470173803
Energy: 0.5855868283876426
Energy: 0.48498971900309534
Energy: 0.5665816075492897
Energy: 0.5665816032926948
Energy: 0.475134385462174
Energy: 0.6119915462160344
Energy: 0.611991546625293
Energy: 0.47349286744388414
Energy: 0.5598091509562608
Energy: 0.5598091337959263
Energy: 0.4703568048126029
Energy: 0.6160454926719447
Energy: 0.6160455031722253
Energy: 0.47119620371173476
Energy: 0.47687671704195844
Energy: 0.4768767181127214
Energy: 0.5599866211792794
Energy: 0.5218241394117714
Energy: 0.5218255839633629
Energy: 0.5530343196526127
Energy: 0.5643174175305886
Energy: 0.5643262516215228
Energy: 0.571109812561188
Energy: 0.5183971207751007
Energy: 0.5183971220311744
   minimum gb energy = 0.4703568048126029 eV
   minimum distance = 2.54239954387192 Angstroms
   sigma value = 125

========================================
theta = 69.98404039711733
========================================

Energy: 0.5218821944739234
Energy: 0.6231265949722012
Energy: 0.623126708218248
Energy: 0.48454334633780294
Energy: 0.5097777325750374
Energy: 0.5097779852714426
Energy: 0.501477883710922
Energy: 0.5525775723898572
Energy: 0.5525764369819166
Energy: 0.46461343496942853
Energy: 0.591052073094541
Energy: 0.5910520801513305
Energy: 0.571757739496976
Energy: 0.46953722911162715
Energy: 0.4695370632189383
Energy: 0.5014704242387191
Energy: 0.5565565034587289
Energy: 0.5565560871768592
Energy: 0.4668402538297934
Energy: 0.5208629472007252
Energy: 0.5208629471769124
Energy: 0.617636757731105
Energy: 0.47148468947659505
Energy: 0.47148490388964154
Energy: 0.4706607238256388
Energy: 0.5968284376248032
Energy: 0.5968284611346109
Energy: 0.46310118834718367
Energy: 0.5814465835673259
Energy: 0.5814434933592082
   minimum gb energy = 0.46310118834718367 eV
   minimum distance = 2.53671295357033 Angstroms
   sigma value = 37

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

Energy: 0.47994825989869044
Energy: 0.6275403958787903
Energy: 0.6275404246614331
Energy: 0.4559771062785228
Energy: 0.5409158920383385
Energy: 0.5409158904360182
Energy: 0.4592327163954109
Energy: 0.4695806039313008
Energy: 0.4695808353287325
Energy: 0.4588871966266233
Energy: 0.6309648329277315
Energy: 0.6309647955770974
Energy: 0.5475946213453274
Energy: 0.5471800303525615
Energy: 0.5471823771753133
Energy: 0.45597712609245783
Energy: 0.4695924830592102
Energy: 0.46958155865981965
Energy: 0.4619724976064699
Energy: 0.5665206035794349
Energy: 0.5665207308667201
Energy: 0.6241071550324773
Energy: 0.5471829381657621
Energy: 0.5471791696783942
Energy: 0.46527600698663857
Energy: 0.46080070129085793
Energy: 0.46080098270116027
Energy: 0.46197249713533556
Energy: 0.5608418028458853
Energy: 0.5608418311877216
   minimum gb energy = 0.4559771062785228 eV
   minimum distance = 2.5144283280953 Angstroms
   sigma value = 37

========================================
theta = 72.05474677020722
========================================

Energy: 0.5576829540792742
Energy: 0.651588041015885
Energy: 0.6515876138422133
Energy: 0.4494699310043635
Energy: 0.4596842368361539
Energy: 0.4596847589477538
Energy: 0.44720422522824005
Energy: 0.6031563276187238
Energy: 0.6031563279384283
Energy: 0.4481073324830577
Energy: 0.6507057763447366
Energy: 0.6507057765500138
Energy: 0.45510176400128466
Energy: 0.5081504081577854
Energy: 0.5081504080904464
Energy: 0.551189538989304
Energy: 0.505708445741857
Energy: 0.5057083044312423
Energy: 0.45103730729930175
Energy: 0.6195112735577132
Energy: 0.6195114324569129
Energy: 0.6635168699066869
Energy: 0.4521467261071296
Energy: 0.452145824502998
Energy: 0.451881059175202
Energy: 0.5415422765509941
Energy: 0.5415443420710389
Energy: 0.44720428689553565
Energy: 0.5306624510043277
Energy: 0.5306622698177541
   minimum gb energy = 0.44720422522824005 eV
   minimum distance = 2.51014817912081 Angstroms
   sigma value = 185

========================================
theta = 72.50767547488958
========================================

Energy: 0.534809561803971
Energy: 0.4626321016415003
Energy: 0.46263223329287284
Energy: 0.450470725677026
Energy: 0.5298335482464196
Energy: 0.5298303704623079
Energy: 0.5259731914179316
Energy: 0.5305383114387452
Energy: 0.5305382233805087
Energy: 0.45251307361440507
Energy: 0.5465384259283541
Energy: 0.5465384254216549
Energy: 0.4858457411955859
Energy: 0.48417984847278195
Energy: 0.48417984735767755
Energy: 0.4495571145758402
Energy: 0.5917202812113996
Energy: 0.591720447156614
Energy: 0.4504741298723043
Energy: 0.5696154132973371
Energy: 0.5696155130764975
Energy: 0.5570961937593398
Energy: 0.4902848691941018
Energy: 0.4902843658728443
Energy: 0.4519981695675681
Energy: 0.5600703515628446
Energy: 0.5600703407457638
Energy: 0.5259728159725544
Energy: 0.5635203625327936
Energy: 0.5635209329180735
   minimum gb energy = 0.4495571145758402 eV
   minimum distance = 2.5396728028125 Angstroms
   sigma value = 173

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

Energy: 0.5078883782698063
Energy: 0.4832413106709801
Energy: 0.48324124325492557
Energy: 0.43591838784392956
Energy: 0.590617511441233
Energy: 0.586967426921528
Energy: 0.4292763381617388
Energy: 0.675047518405235
Energy: 0.675047511255888
Energy: 0.4347293052030945
Energy: 0.7009265084287671
Energy: 0.7009263418131079
Energy: 0.42754529097608235
Energy: 0.6395587547839109
Energy: 0.6395587267104504
Energy: 0.43577838204596847
Energy: 0.43829131403237337
Energy: 0.43829156602165603
Energy: 0.4888549025249316
Energy: 0.5098167070159688
Energy: 0.5098166880990893
Energy: 0.5078883783170798
Energy: 0.5098167066958925
Energy: 0.5098166323934403
Energy: 0.4888553999884125
Energy: 0.6384584956874519
Energy: 0.6491849352489388
Energy: 0.4292764096060109
Energy: 0.4999949061480773
Energy: 0.499994258692008
   minimum gb energy = 0.42754529097608235 eV
   minimum distance = 2.55521041966851 Angstroms
   sigma value = 25

========================================
theta = 75.13718405765499
========================================

Energy: 0.5123034111854973
Energy: 0.6566872669172056
Energy: 0.6566871745766706
Energy: 0.4211683624791118
Energy: 0.5551866214247689
Energy: 0.555186887049483
Energy: 0.552963151791108
Energy: 0.4658936663817263
Energy: 0.46589326539148795
Energy: 0.41735172318034436
Energy: 0.5459289713015881
Energy: 0.5459314494670107
Energy: 0.4243406656955966
Energy: 0.6006985517159389
Energy: 0.6006985517156386
Energy: 0.43411641570062637
Energy: 0.5902512128804801
Energy: 0.5902513885243107
Energy: 0.41961098225485793
Energy: 0.5054815926459465
Energy: 0.5054859200961674
Energy: 0.6684645095205362
Energy: 0.4616921254412298
Energy: 0.46169217019416336
Energy: 0.4205678599107052
Energy: 0.5940962016225213
Energy: 0.5940961949779758
Energy: 0.42116636877530195
Energy: 0.6622631483651358
Energy: 0.6622631018248091
   minimum gb energy = 0.41735172318034436 eV
   minimum distance = 2.50467767191776 Angstroms
   sigma value = 269

========================================
theta = 75.74996730219641
========================================

Energy: 0.5299162364423788
Energy: 0.6394046061205794
Energy: 0.6394046106102221
Energy: 0.4070836231708895
Energy: 0.5448070512631512
Energy: 0.5448072338868182
Energy: 0.5517624198049409
Energy: 0.5206634444677212
Energy: 0.5206634436976265
Energy: 0.4170931197677436
Energy: 0.5424432846388194
Energy: 0.5424432804575365
Energy: 0.417093117082596
Energy: 0.6510976078299688
Energy: 0.6510974486151261
Energy: 0.40960847562898334
Energy: 0.5461755162028162
Energy: 0.5461757976143765
Energy: 0.5069169576454944
Energy: 0.40932531244566195
Energy: 0.40932531468551425
Energy: 0.5299161564617731
Energy: 0.5345409397310604
Energy: 0.5345446656606359
Energy: 0.4070836263142954
Energy: 0.6488864388555826
Energy: 0.6488872328389976
Energy: 0.4096084864175368
Energy: 0.6563514334376284
Energy: 0.6563552472823049
   minimum gb energy = 0.4070836231708895 eV
   minimum distance = 2.5014834809659 Angstroms
   sigma value = 65

========================================
theta = 76.31445317473812
========================================

Energy: 0.5570530509530773
Energy: 0.41470456523096577
Energy: 0.414704562589855
Energy: 0.40891111773750105
Energy: 0.48405537267193455
Energy: 0.48405537026341017
Energy: 0.41302586898821203
Energy: 0.6720664991320194
Energy: 0.672063251102724
Energy: 0.5297902535961851
Energy: 0.40783162450592125
Energy: 0.40783134776031993
Energy: 0.41026341428318963
Energy: 0.6463939964041733
Energy: 0.6463974941063264
Energy: 0.5953348644982079
Energy: 0.4447790258060138
Energy: 0.44477969606660056
Energy: 0.40959508780263637
Energy: 0.5405060689172643
Energy: 0.5405060698792049
Energy: 0.6330748825873254
Energy: 0.44988111587734964
Energy: 0.4498811118624548
Energy: 0.40959503764321625
Energy: 0.5707045281678427
Energy: 0.5707062796557284
Energy: 0.47783781104779793
Energy: 0.44943205757091764
Energy: 0.4494320692170911
   minimum gb energy = 0.40783134776031993 eV
   minimum distance = 2.49361401988175 Angstroms
   sigma value = 79

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

Energy: 0.4646184848796317
Energy: 0.5727143406073926
Energy: 0.5727137980105464
Energy: 0.4422078550092174
Energy: 0.5630590950388825
Energy: 0.5630592760872923
Energy: 0.44532251178999
Energy: 0.3992125915067071
Energy: 0.39921260726733915
Energy: 0.3936398966318981
Energy: 0.6122722283178474
Energy: 0.6122728632335072
Energy: 0.3936398791208463
Energy: 0.6082753888063381
Energy: 0.6082753908866971
Energy: 0.388710693981784
Energy: 0.6013727099530872
Energy: 0.6013726315514217
Energy: 0.4422079199128562
Energy: 0.3936398968233775
Energy: 0.39363989709102915
Energy: 0.4646184114346442
Energy: 0.5809293009347458
Energy: 0.6218974673564374
Energy: 0.44220787039066767
Energy: 0.6012113602324143
Energy: 0.601211295627903
Energy: 0.43449325673783457
Energy: 0.5413143900012863
Energy: 0.5413143820344462
   minimum gb energy = 0.388710693981784 eV
   minimum distance = 2.50820801424534 Angstroms
   sigma value = 41

========================================
theta = 78.57881372500071
========================================

Energy: 0.48046664015467555
Energy: 0.5894328367025912
Energy: 0.5894328379378224
Energy: 0.371746295967775
Energy: 0.550464005507217
Energy: 0.5504640068560827
Energy: 0.3750119567016524
Energy: 0.47069508966467455
Energy: 0.4706949425493239
Energy: 0.5674200440948798
Energy: 0.4269060865105204
Energy: 0.42690650752835596
Energy: 0.46355121768777496
Energy: 0.5797916639775023
Energy: 0.5797931434433097
Energy: 0.38101580069224916
Energy: 0.591935913358975
Energy: 0.5919359132737648
Energy: 0.37943005950060693
Energy: 0.5877206341007709
Energy: 0.5877205401680516
Energy: 0.5555254754218157
Energy: 0.5377401766364412
Energy: 0.5377256621778908
Energy: 0.4162643144015388
Energy: 0.3754104462696653
Energy: 0.37541039180954444
Energy: 0.37339804406893906
Energy: 0.5551335090029531
Energy: 0.5551335016699693
   minimum gb energy = 0.371746295967775 eV
   minimum distance = 2.49591020539755 Angstroms
   sigma value = 101

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

Energy: 0.5188159576331357
Energy: 0.5637476659508184
Energy: 0.563747604270771
Energy: 0.44929460926969744
Energy: 0.36309846730886813
Energy: 0.36309846773571525
Energy: 0.3594337065199122
Energy: 0.5540108773857925
Energy: 0.5540108889286125
Energy: 0.3585660265355138
Energy: 0.36950210962514535
Energy: 0.3695020786296882
Energy: 0.3594337072134706
Energy: 0.47699812403998676
Energy: 0.47699815260734446
Energy: 0.35943370683390446
Energy: 0.4542350088500378
Energy: 0.4542350659210428
Energy: 0.35809598023474326
Energy: 0.44396561904955767
Energy: 0.44396551135518353
Energy: 0.5188159604925264
Energy: 0.5499627116245701
Energy: 0.5499627112576199
Energy: 0.5133466626486461
Energy: 0.4439657070844801
Energy: 0.4439656786558399
Energy: 0.3594337071087874
Energy: 0.5811001810021359
Energy: 0.5811001478654759
   minimum gb energy = 0.35809598023474326 eV
   minimum distance = 2.60536131929214 Angstroms
   sigma value = 15

========================================
theta = 80.47271661854764
========================================

Energy: 0.5021195189885009
Energy: 0.5479632880382442
Energy: 0.5479637172006614
Energy: 0.4145789875784619
Energy: 0.4285556730043233
Energy: 0.4285574667249493
Energy: 0.34703723080105553
Energy: 0.5007257929737408
Energy: 0.5007257979472629
Energy: 0.3545681175793785
Energy: 0.46333871454133707
Energy: 0.4633387147692031
Energy: 0.582869100993745
Energy: 0.38575370497278133
Energy: 0.38576250863071876
Energy: 0.3501009884178889
Energy: 0.5485056372853434
Energy: 0.5485058098624157
Energy: 0.34396996067663244
Energy: 0.5101672715810488
Energy: 0.5101672818227617
Energy: 0.5660161511164298
Energy: 0.48328893754520497
Energy: 0.48328945548900787
Energy: 0.3493317815068215
Energy: 0.5458407151243586
Energy: 0.5458405561205922
Energy: 0.344925241298291
Energy: 0.4961396507230034
Energy: 0.49613950428994835
   minimum gb energy = 0.34396996067663244 eV
   minimum distance = 2.55342334562928 Angstroms
   sigma value = 145

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

Energy: 0.4738507915747415
Energy: 0.5215181928819818
Energy: 0.5215183126690203
Energy: 0.3391501764237773
Energy: 0.4459580915343003
Energy: 0.38555351526125986
Energy: 0.33336517241415825
Energy: 0.4788423737630839
Energy: 0.47884239354153196
Energy: 0.3326811548714391
Energy: 0.46575371873369786
Energy: 0.46575370447710446
Energy: 0.33336517218714756
Energy: 0.4744013414135437
Energy: 0.4744018500171759
Energy: 0.3333651729071888
Energy: 0.4461275411589752
Energy: 0.44612728549405034
Energy: 0.3391500705893719
Energy: 0.5236774830295943
Energy: 0.5236777174824981
Energy: 0.47385185342874153
Energy: 0.4502991921107755
Energy: 0.4502998346924091
Energy: 0.41505340579424
Energy: 0.46936826416279226
Energy: 0.46936827311166823
Energy: 0.3665892087077609
Energy: 0.3325273022235552
Energy: 0.33252730199387265
   minimum gb energy = 0.33252730199387265 eV
   minimum distance = 2.58651927897448 Angstroms
   sigma value = 85

========================================
theta = 81.82876644005026
========================================

Energy: 0.5308831393854179
Energy: 0.5161169566336018
Energy: 0.5161162267263455
Energy: 0.3254931852804379
Energy: 0.5505873801566126
Energy: 0.5505873896213074
Energy: 0.3252309237362954
Energy: 0.5124279367342351
Energy: 0.5124235027698724
Energy: 0.4048133640119549
Energy: 0.5176168179297622
Energy: 0.5176166131104478
Energy: 0.4048133179785875
Energy: 0.41327518886080006
Energy: 0.4132751755358029
Energy: 0.3238731479622135
Energy: 0.4913937939840039
Energy: 0.49139293765926995
Energy: 0.33785004415437375
Energy: 0.4468311175511129
Energy: 0.44683181278018075
Energy: 0.5912333989983032
Energy: 0.4685892252318665
Energy: 0.46858922854143203
Energy: 0.3937040732239296
Energy: 0.45724603912503914
Energy: 0.45724634939809095
Energy: 0.3226896326971413
Energy: 0.49552796960840967
Energy: 0.4955286840769838
   minimum gb energy = 0.3226896326971413 eV
   minimum distance = 2.54979907068074 Angstroms
   sigma value = 197

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

Energy: 0.4427498002173261
Energy: 0.4946017960739017
Energy: 0.4946018786014694
Energy: 0.32450174768651824
Energy: 0.4929806542314605
Energy: 0.4929806553233543
Energy: 0.30151322773090206
Energy: 0.4789183558791268
Energy: 0.47892331970549484
Energy: 0.3025715554041283
Energy: 0.42634938989218213
Energy: 0.42634781453420467
Energy: 0.3442799917815342
Energy: 0.4263493700199085
Energy: 0.4263475681123668
Energy: 0.3015132280185851
Energy: 0.3752786685451297
Energy: 0.3752789992498318
Energy: 0.4162559996513325
Energy: 0.4947310187999016
Energy: 0.4947307286430304
Energy: 0.44274966989613096
Energy: 0.4225530572876471
Energy: 0.4225529354796888
Energy: 0.32450174447894464
Energy: 0.48007694325457756
Energy: 0.48007697513719855
Energy: 0.31080066268134576
Energy: 0.4929806516997819
Energy: 0.4929806479372133
   minimum gb energy = 0.30151322773090206 eV
   minimum distance = 2.58702910751345 Angstroms
   sigma value = 113

========================================
theta = 83.2670786731404
========================================

Energy: 0.45306772287747576
Energy: 0.466260319187147
Energy: 0.4662603125142161
Energy: 0.4826801930440844
Energy: 0.3441023048743514
Energy: 0.34410235218925594
Energy: 0.2891799583784474
Energy: 0.4572470746198543
Energy: 0.4572470656465508
Energy: 0.2891799584393716
Energy: 0.4659592349302913
Energy: 0.4659592371329173
Energy: 0.28377037048339054
Energy: 0.40117107855782996
Energy: 0.40117111037659764
Energy: 0.29452778162358406
Energy: 0.4608380782917584
Energy: 0.4609900390781434
Energy: 0.442168766131322
Energy: 0.39519286729846054
Energy: 0.39519286659708824
Energy: 0.49311761570949264
Energy: 0.4744102695655668
Energy: 0.47441026871247904
Energy: 0.38995548907164673
Energy: 0.47455381773130106
Energy: 0.47446006244735484
Energy: 0.3436922402827788
Energy: 0.3996179553659235
Energy: 0.3996181351938002
   minimum gb energy = 0.28377037048339054 eV
   minimum distance = 2.56142138713762 Angstroms
   sigma value = 145

========================================
theta = 83.97442499163331
========================================

Energy: 0.4610553525531935
Energy: 0.4418649151591736
Energy: 0.441864914900373
Energy: 0.4134546319941512
Energy: 0.4302707342849921
Energy: 0.43027041842648056
Energy: 0.2712382056002738
Energy: 0.3287707706102118
Energy: 0.32877080596828645
Energy: 0.2788064502895962
Energy: 0.4407720501902514
Energy: 0.44077203163490736
Energy: 0.2717685627979969
Energy: 0.4417988628197365
Energy: 0.4417988611539116
Energy: 0.3220938893385517
Energy: 0.37767848071947224
Energy: 0.3776784199722063
Energy: 0.2885339901018322
Energy: 0.44077216336225006
Energy: 0.4407719538495467
Energy: 0.46105535238261286
Energy: 0.4430901366834078
Energy: 0.44309013925550095
Energy: 0.49759503443200326
Energy: 0.31966440352768116
Energy: 0.31966419110355426
Energy: 0.2788065842017633
Energy: 0.45377572703509195
Energy: 0.45373809530405246
   minimum gb energy = 0.2712382056002738 eV
   minimum distance = 2.61043021523585 Angstroms
   sigma value = 181

========================================
theta = 84.54737801218748
========================================

Energy: 0.4346465033949486
Energy: 0.4216975999464252
Energy: 0.4216975867309729
Energy: 0.34357658928232093
Energy: 0.4777524977988469
Energy: 0.47775245487304535
Energy: 0.2624652532039004
Energy: 0.46183331364215496
Energy: 0.4618333137908947
Energy: 0.2624641236144052
Energy: 0.4199992300531845
Energy: 0.4199336041769493
Energy: 0.26246413575195376
Energy: 0.42086912384394987
Energy: 0.4208691234898306
Energy: 0.26246412530778473
Energy: 0.43070933993614186
Energy: 0.4307094649011151
Energy: 0.34357632964654133
Energy: 0.42086912271139476
Energy: 0.4208691239125202
Energy: 0.46944937526661074
Energy: 0.4081191308836593
Energy: 0.40811913172705017
Energy: 0.34357633117825637
Energy: 0.4246216571873748
Energy: 0.424625593827448
Energy: 0.2569520767839066
Energy: 0.409496522602267
Energy: 0.4094968532464055
   minimum gb energy = 0.2569520767839066 eV
   minimum distance = 2.56579104227827 Angstroms
   sigma value = 55

========================================
theta = 85.02089415600169
========================================

Energy: 0.41226164485937805
Energy: 0.40309427120656716
Energy: 0.4030942713493593
Energy: 0.32881791598188703
Energy: 0.39321938168667614
Energy: 0.39321951789003845
Energy: 0.3560780648113954
Energy: 0.25436911869688417
Energy: 0.25436911875224016
Energy: 0.24516804756559274
Energy: 0.4058893251878139
Energy: 0.40588915933295183
Energy: 0.25466966615406345
Energy: 0.3996238001632312
Energy: 0.399596350981993
Energy: 0.24898451526405396
Energy: 0.396021736564095
Energy: 0.3960218966737311
Energy: 0.45798846497854756
Energy: 0.25137076296710836
Energy: 0.25137076111727547
Energy: 0.4761574507996276
Energy: 0.4043049955067762
Energy: 0.4043049558667288
Energy: 0.3288181272909974
Energy: 0.4373641518475191
Energy: 0.43736607049508586
Energy: 0.24868228948984414
Energy: 0.4028261639949918
Energy: 0.4028310300600648
   minimum gb energy = 0.24516804756559274 eV
   minimum distance = 2.60451780035781 Angstroms
   sigma value = 265

========================================
theta = 85.41877991472295
========================================

Energy: 0.4508578436379951
Energy: 0.386201370942536
Energy: 0.3861912347739056
Energy: 0.4808119286626336
Energy: 0.30734845286733753
Energy: 0.307348501214929
Energy: 0.2420204058185522
Energy: 0.3836810223182274
Energy: 0.38368092925684255
Energy: 0.2333131140018075
Energy: 0.35682696675410075
Energy: 0.35681809128252134
Energy: 0.24202040458573415
Energy: 0.38355922834161976
Energy: 0.3835605763707856
Energy: 0.23740139889820525
Energy: 0.36503783442736437
Energy: 0.365037416570898
Energy: 0.309867975832593
Energy: 0.39076019715772364
Energy: 0.39076445339549476
Energy: 0.4508576816724647
Energy: 0.3788355746072644
Energy: 0.37883586407718955
Energy: 0.373637141007128
Energy: 0.3866631603795931
Energy: 0.3866631604325026
Energy: 0.23947080213838326
Energy: 0.3837369360713031
Energy: 0.3837373500592958
   minimum gb energy = 0.2333131140018075 eV
   minimum distance = 2.60268753396372 Angstroms
   sigma value = 39

========================================
theta = 85.7578072066771
========================================

Energy: 0.42917673215466334
Energy: 0.3719430454967047
Energy: 0.3719448020038352
Energy: 0.29884802007598826
Energy: 0.36894833561353296
Energy: 0.3689495075537101
Energy: 0.2656081205606925
Energy: 0.3580663931284513
Energy: 0.3580665051035318
Energy: 0.22456494376024022
Energy: 0.3518373160419266
Energy: 0.35183731665486784
Energy: 0.22794058688387006
Energy: 0.3736060881390589
Energy: 0.37360638284157416
Energy: 0.2313818833697398
Energy: 0.41178828225074665
Energy: 0.4117888203691021
Energy: 0.2988480911722986
Energy: 0.3679819560456142
Energy: 0.3680535401935161
Energy: 0.37965342515756917
Energy: 0.3574201948681669
Energy: 0.3574202009935473
Energy: 0.4553821326291516
Energy: 0.291947606239235
Energy: 0.29194781300762984
Energy: 0.2875437259555178
Energy: 0.34426405933959464
Energy: 0.34427194274860073
   minimum gb energy = 0.22456494376024022 eV
   minimum distance = 2.55656233492259 Angstroms
   sigma value = 91

========================================
theta = 86.05013197823605
========================================

Energy: 0.41030429313189304
Energy: 0.3572364576668254
Energy: 0.35723711616629283
Energy: 0.2891455024322982
Energy: 0.3565315060514427
Energy: 0.3565323061197499
Energy: 0.2221475603881883
Energy: 0.3579316376593208
Energy: 0.357931246370897
Energy: 0.2195540448643689
Energy: 0.35065337421976445
Energy: 0.35064900393080783
Energy: 0.21776192505214192
Energy: 0.3398574171981628
Energy: 0.33985847650941536
Energy: 0.39584771168801025
Energy: 0.2803352774495573
Energy: 0.2803391763607005
Energy: 0.3994472229407581
Energy: 0.30237354610273903
Energy: 0.30237370194948293
Energy: 0.3569767355389017
Energy: 0.3528315836890686
Energy: 0.35283226845220306
Energy: 0.33920198784164474
Energy: 0.36551853596844935
Energy: 0.36540433123042604
Energy: 0.2259835540629675
Energy: 0.3884131060859183
Energy: 0.38841340402232405
   minimum gb energy = 0.21776192505214192 eV
   minimum distance = 2.61692254151779 Angstroms
   sigma value = 105

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

Energy: 0.011813603995825985
Energy: 0.011813604000358724
Energy: 0.011813604024031883
Energy: 0.011813604018806368
Energy: 0.17812303164834148
Energy: 0.1781230316504396
Energy: 0.011813604025437227
Energy: 0.1781230316539233
Energy: 0.17812303165461604
Energy: 0.011813604018113592
Energy: 0.1781230316504396
Energy: 0.17812303164347223
Energy: 0.011813604018806368
Energy: 0.17812303164869775
Energy: 0.17812303164834148
Energy: 0.0118136040177771
Energy: 0.17812303164416501
Energy: 0.17812303165497234
Energy: 0.0118136040177771
Energy: 0.17812303164557036
Energy: 0.17812303164800497
Energy: 0.011813604016035264
Energy: 0.011813604014629915
Energy: 0.011813604000358724
Energy: 0.011813604012888078
Energy: 0.1781230316504396
Energy: 0.17812303165113239
Energy: 0.011813604003149623
Energy: 0.17812303164487758
Energy: 0.1781230316476487
   minimum gb energy = 0.011813603995825985 eV
   minimum distance = 2.83069574255245 Angstroms
   sigma value = 1