model_name=EAM_Dynamo_ZopeMishin_2003_Al__MO_664470114311_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=4.050000011920929
cohesive_energy=3.3541843831092124
mass=26.981538


Isolated atom energy: -0.00607941459516994 eV

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

Energy: 0.010307642946649109
Energy: 0.010307642947620781
Energy: 0.010307642942734663
Energy: 0.010307642947620781
Energy: 0.010307642949564126
Energy: 0.010307642943706332
Energy: 0.010307642950563559
Energy: 0.2984886984585051
Energy: 0.29848869844678955
Energy: 0.010307642949092168
Energy: 0.010307642948120498
Energy: 0.010307642949092168
Energy: 0.010307642948592452
Energy: 0.010307642942262708
Energy: 0.010307642947148825
Energy: 0.40121836670744215
Energy: 0.010307642946649109
Energy: 0.010307642947148825
Energy: 0.010307642948120498
Energy: 0.010307642946649109
Energy: 0.010307642941762991
Energy: 0.010307642948592452
Energy: 0.010307642945177721
Energy: 0.010307642946149392
Energy: 0.010307642942734663
Energy: 0.2984886984477612
Energy: 0.2984886984477612
Energy: 0.010307642945677438
Energy: 0.010307642947620781
Energy: 0.010307642942262708
   minimum gb energy = 0.010307642941762991 eV
   minimum distance = 2.8636851504866 Angstroms
   sigma value = 1

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

Energy: 0.4042176825043188
Energy: 0.3686227341429507
Energy: 0.3686227931309235
Energy: 0.3667388610589768
Energy: 0.3686544281654487
Energy: 0.36865439388977006
Energy: 0.36620562512075333
Energy: 0.3730465258699458
Energy: 0.3730465030705116
Energy: 0.38135249958535444
Energy: 0.3920766296690591
Energy: 0.39207662982533453
Energy: 0.382741032982393
Energy: 0.36894330102321965
Energy: 0.3689433010066732
Energy: 0.35224217523956153
Energy: 0.3771017171158571
Energy: 0.37710166454936084
Energy: 0.3654408329713867
Energy: 0.3689432747437092
Energy: 0.368943301061897
Energy: 0.3827149353630395
Energy: 0.4063278186330259
Energy: 0.4063278186310758
Energy: 0.37388104454378807
Energy: 0.4214779354869573
Energy: 0.42147798666425956
Energy: 0.37338523758823766
Energy: 0.38540412735153484
Energy: 0.38540415584215537
   minimum gb energy = 0.35224217523956153 eV
   minimum distance = 2.55990191352966 Angstroms
   sigma value = 113

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

Energy: 0.414841286416124
Energy: 0.38333370128935396
Energy: 0.3833337915617546
Energy: 0.3605607127716081
Energy: 0.38493449426459037
Energy: 0.38493412947154326
Energy: 0.3708992173009232
Energy: 0.3837252660873413
Energy: 0.3837252730961057
Energy: 0.37565378685205314
Energy: 0.38532896971701147
Energy: 0.38532886944437394
Energy: 0.36688174015795266
Energy: 0.38332624394684495
Energy: 0.38332673188228505
Energy: 0.4056346365912568
Energy: 0.3851969840240772
Energy: 0.3851958605424423
Energy: 0.3615750670324823
Energy: 0.383725297026841
Energy: 0.38372529830074464
Energy: 0.3670682961747087
Energy: 0.38532902643425315
Energy: 0.3853288546028729
Energy: 0.37140842829056664
Energy: 0.3837252935196738
Energy: 0.3837253268604848
Energy: 0.364576683856293
Energy: 0.3948357037859958
Energy: 0.39483552059594484
   minimum gb energy = 0.3605607127716081 eV
   minimum distance = 2.60367331956774 Angstroms
   sigma value = 197

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

Energy: 0.42621520195786444
Energy: 0.3906549069131671
Energy: 0.39065483420419733
Energy: 0.38171867004069515
Energy: 0.3937556187100343
Energy: 0.393755629736628
Energy: 0.40794866689031084
Energy: 0.38358459498527603
Energy: 0.3835845950118491
Energy: 0.3829730691212337
Energy: 0.458665119729253
Energy: 0.4586653052933636
Energy: 0.39154322980727596
Energy: 0.3862492145214344
Energy: 0.3862492170427409
Energy: 0.37225280535762434
Energy: 0.40048189446310356
Energy: 0.40048189448633786
Energy: 0.3815737138690997
Energy: 0.38624922636572884
Energy: 0.38624921857103256
Energy: 0.39158413448943635
Energy: 0.48816932101871385
Energy: 0.48816918584295177
Energy: 0.4455397300994597
Energy: 0.38624921238669785
Energy: 0.3862492028543278
Energy: 0.37820514425781937
Energy: 0.40048189414657753
Energy: 0.40048189416344115
   minimum gb energy = 0.37225280535762434 eV
   minimum distance = 2.60559837263333 Angstroms
   sigma value = 169

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

Energy: 0.43750306283543494
Energy: 0.40750070375073794
Energy: 0.40750075886718284
Energy: 0.39599588351157733
Energy: 0.46016031414932557
Energy: 0.460160301066207
Energy: 0.40507039337149625
Energy: 0.4025533957178701
Energy: 0.4025534488911369
Energy: 0.39926671404129704
Energy: 0.40808912143470566
Energy: 0.408140968092153
Energy: 0.406276998770132
Energy: 0.4755845477659885
Energy: 0.47558968574993143
Energy: 0.4256830064427619
Energy: 0.4058375770273006
Energy: 0.4058373934073709
Energy: 0.4062769937570444
Energy: 0.48035103380121524
Energy: 0.4803527496291047
Energy: 0.39106462489058635
Energy: 0.4092742039378533
Energy: 0.4092739361859788
Energy: 0.4074360992636692
Energy: 0.40291412072789173
Energy: 0.40291412647226943
Energy: 0.4006575086915952
Energy: 0.42486291786042885
Energy: 0.4248631208967749
   minimum gb energy = 0.39106462489058635 eV
   minimum distance = 2.56600196488334 Angstroms
   sigma value = 145

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

Energy: 0.4496026556846025
Energy: 0.4273993906521347
Energy: 0.42739937688466145
Energy: 0.4236620505680638
Energy: 0.4223446515335495
Energy: 0.42234463888166934
Energy: 0.4106985598624554
Energy: 0.4171777757217433
Energy: 0.41717777189429045
Energy: 0.40027260705652423
Energy: 0.4168035076161719
Energy: 0.41680344546490433
Energy: 0.44253611832325285
Energy: 0.4306886572119286
Energy: 0.4306885829203799
Energy: 0.39513442038543184
Energy: 0.42740552561330214
Energy: 0.4274056431903884
Energy: 0.42499636196028245
Energy: 0.4152506829571178
Energy: 0.41525077016053863
Energy: 0.42499637295665876
Energy: 0.44662646976992826
Energy: 0.4466266910041109
Energy: 0.39886970126948174
Energy: 0.4163816895975839
Energy: 0.41638173517314264
Energy: 0.424996375077313
Energy: 0.43934368850390526
Energy: 0.43934371249970255
   minimum gb energy = 0.39513442038543184 eV
   minimum distance = 2.56903379745965 Angstroms
   sigma value = 61

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

Energy: 0.463425466433994
Energy: 0.4354756628859943
Energy: 0.43547580128235724
Energy: 0.41574663702979847
Energy: 0.43647592613164216
Energy: 0.4364759263031778
Energy: 0.4265036329959542
Energy: 0.44406030231096055
Energy: 0.44406016863436937
Energy: 0.4152573222946995
Energy: 0.4304663909235337
Energy: 0.4304663909167271
Energy: 0.4268044533325194
Energy: 0.43625765394564736
Energy: 0.4362589825628423
Energy: 0.44588311820153115
Energy: 0.4459643014731278
Energy: 0.4459645966943338
Energy: 0.4144741837097735
Energy: 0.4531735104743612
Energy: 0.45317354805501087
Energy: 0.4281575058751334
Energy: 0.43625856768725574
Energy: 0.4362579646975258
Energy: 0.42650358175174524
Energy: 0.45025199620490397
Energy: 0.45025199764386314
Energy: 0.4457118557724268
Energy: 0.4389413117020398
Energy: 0.438941424018752
   minimum gb energy = 0.4144741837097735 eV
   minimum distance = 2.51113885126279 Angstroms
   sigma value = 101

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

Energy: 0.4683057780619637
Energy: 0.4628124094055371
Energy: 0.4628124093925871
Energy: 0.44906320726120447
Energy: 0.45904099326476805
Energy: 0.4590409615827393
Energy: 0.43854452663625115
Energy: 0.459358079452743
Energy: 0.45935810342429667
Energy: 0.42882833641902
Energy: 0.45935825301895106
Energy: 0.45935815449138573
Energy: 0.4292269304734404
Energy: 0.4625305949752633
Energy: 0.4625305949461259
Energy: 0.4318835066164804
Energy: 0.46253059497796123
Energy: 0.46253059496663
Energy: 0.46064759990852927
Energy: 0.4590549377410635
Energy: 0.4590549781717714
Energy: 0.4385445314633489
Energy: 0.4593581692531632
Energy: 0.4593581063373019
Energy: 0.4405299079666093
Energy: 0.4593581133649118
Energy: 0.4593581895712584
Energy: 0.45026893738787116
Energy: 0.46281240944708485
Energy: 0.4628124094087746
   minimum gb energy = 0.42882833641902 eV
   minimum distance = 2.52751628844125 Angstroms
   sigma value = 81

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

Energy: 0.4743820143920514
Energy: 0.476727337518294
Energy: 0.4767273784344521
Energy: 0.44675009167969143
Energy: 0.4496652366080653
Energy: 0.44966558912145893
Energy: 0.4657138895689915
Energy: 0.45349673833754667
Energy: 0.45349675247522764
Energy: 0.4737959025955894
Energy: 0.44849997733185454
Energy: 0.44849997725552
Energy: 0.45175682912111265
Energy: 0.46761865493040056
Energy: 0.4676224944457876
Energy: 0.4625197948821548
Energy: 0.4676229271601524
Energy: 0.4676183001368593
Energy: 0.47379590851828185
Energy: 0.4531303744451489
Energy: 0.4531303737061002
Energy: 0.47379591884501915
Energy: 0.4534967439119264
Energy: 0.45349674615573865
Energy: 0.4467500891463257
Energy: 0.44966536233942817
Energy: 0.4496649174700978
Energy: 0.4743821147485181
Energy: 0.4711953001581919
Energy: 0.4711953001400105
   minimum gb energy = 0.4467500891463257 eV
   minimum distance = 2.50295053664317 Angstroms
   sigma value = 1

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

Energy: 0.4893145139042971
Energy: 0.48968927604909457
Energy: 0.4896892580224282
Energy: 0.48222087672757824
Energy: 0.4612542715043341
Energy: 0.46125386206892044
Energy: 0.46197912581614525
Energy: 0.48640652298103654
Energy: 0.4864144738833577
Energy: 0.46094483583153517
Energy: 0.47675212855096144
Energy: 0.47675214625169116
Energy: 0.4742365213121951
Energy: 0.483572404827027
Energy: 0.48357240197754736
Energy: 0.4701817568444025
Energy: 0.4720027768628528
Energy: 0.47199450546724303
Energy: 0.4732529652862742
Energy: 0.4904123861054322
Energy: 0.49041238528472003
Energy: 0.47458147409568224
Energy: 0.5231560968808772
Energy: 0.523155954862775
Energy: 0.4445837344597472
Energy: 0.48151492056079087
Energy: 0.4815065936322045
Energy: 0.4792756864096429
Energy: 0.4890420410549281
Energy: 0.4890420414438564
   minimum gb energy = 0.4445837344597472 eV
   minimum distance = 2.52220080411864 Angstroms
   sigma value = 229

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

Energy: 0.4857028467409957
Energy: 0.4961901179652287
Energy: 0.49619014459360755
Energy: 0.467811089964157
Energy: 0.4726367788231371
Energy: 0.472636896258531
Energy: 0.4916902781949661
Energy: 0.4816770692891892
Energy: 0.48166757930127096
Energy: 0.462983845592279
Energy: 0.49759146548075506
Energy: 0.4975902238502926
Energy: 0.46453769538753514
Energy: 0.49498587273671335
Energy: 0.4949858371514134
Energy: 0.4551509042629064
Energy: 0.4962165944674037
Energy: 0.4962170277202891
Energy: 0.46341142484139464
Energy: 0.4932497278455056
Energy: 0.4932496971137388
Energy: 0.448195107347774
Energy: 0.4975920410465093
Energy: 0.4975911611274216
Energy: 0.4856988888061117
Energy: 0.48246788586973544
Energy: 0.4824679422442614
Energy: 0.4678110898474091
Energy: 0.4885963482129226
Energy: 0.4885963477446433
   minimum gb energy = 0.448195107347774 eV
   minimum distance = 2.5067955696013 Angstroms
   sigma value = 25

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

Energy: 0.5065383800031569
Energy: 0.504797235606837
Energy: 0.5047972410017422
Energy: 0.4559203888788393
Energy: 0.478628141518648
Energy: 0.47862814077898796
Energy: 0.4908441933929142
Energy: 0.5221608904717088
Energy: 0.522160932194722
Energy: 0.4669821616986928
Energy: 0.4786280874541324
Energy: 0.4786281090560082
Energy: 0.4761579124782152
Energy: 0.5013260734927233
Energy: 0.501297791131139
Energy: 0.48684315793132793
Energy: 0.4946506290799065
Energy: 0.4965925912005679
Energy: 0.49584753631001893
Energy: 0.4892350944921695
Energy: 0.48919831566169086
Energy: 0.4722718483199129
Energy: 0.4773804303745105
Energy: 0.47738051690912936
Energy: 0.47492307315911836
Energy: 0.500595039759464
Energy: 0.500594662425686
Energy: 0.4828621495850508
Energy: 0.51221344612579
Energy: 0.512215326292514
   minimum gb energy = 0.4559203888788393 eV
   minimum distance = 2.53424218960885 Angstroms
   sigma value = 173

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

Energy: 0.5022478651137516
Energy: 0.5261641957789557
Energy: 0.5261644071065972
Energy: 0.5093161137990997
Energy: 0.4775120597237154
Energy: 0.4775122162964426
Energy: 0.5146880481241314
Energy: 0.5163426870838167
Energy: 0.5163426549494945
Energy: 0.512633840387107
Energy: 0.5284270953491069
Energy: 0.5284270981472542
Energy: 0.4775121993806052
Energy: 0.5126001433166218
Energy: 0.5126021588081304
Energy: 0.4869211175855332
Energy: 0.4805651504109894
Energy: 0.4805651490002592
Energy: 0.5136884295805711
Energy: 0.511163185169385
Energy: 0.5111625420123688
Energy: 0.4692265678247999
Energy: 0.5048876755118883
Energy: 0.504887676043418
Energy: 0.5054109012919118
Energy: 0.48692115024254895
Energy: 0.48692173394601385
Energy: 0.5093161113654557
Energy: 0.5062033904648041
Energy: 0.5062037119919391
   minimum gb energy = 0.4692265678247999 eV
   minimum distance = 2.54846123335 Angstroms
   sigma value = 9

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

Energy: 0.5273218661641321
Energy: 0.5432116581736626
Energy: 0.5432027621223737
Energy: 0.4859688568758952
Energy: 0.6393284006441584
Energy: 0.6393279990995332
Energy: 0.5177119137510425
Energy: 0.49739965218257054
Energy: 0.49739961600530586
Energy: 0.5166360603105962
Energy: 0.5296204909620101
Energy: 0.5295027756797264
Energy: 0.49349324955027063
Energy: 0.4973995782829688
Energy: 0.49739958956112806
Energy: 0.5076133428008082
Energy: 0.49883259602507724
Energy: 0.4988325949757933
Energy: 0.49109679625390545
Energy: 0.48496782131712235
Energy: 0.48496813930243976
Energy: 0.519851663371217
Energy: 0.4910968203195194
Energy: 0.4910968098861748
Energy: 0.4934931730707148
Energy: 0.49692843944377124
Energy: 0.4969285041327329
Energy: 0.537113871055631
Energy: 0.5088542636592334
Energy: 0.5088535026436077
   minimum gb energy = 0.48496782131712235 eV
   minimum distance = 2.45604008394182 Angstroms
   sigma value = 31

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

Energy: 0.5179610542890277
Energy: 0.5200567853624296
Energy: 0.5200567835856873
Energy: 0.515038721680819
Energy: 0.510245192217572
Energy: 0.510245193006819
Energy: 0.5391787134925562
Energy: 0.5342019395921015
Energy: 0.5342020257519613
Energy: 0.4979049519934586
Energy: 0.47128839157647057
Energy: 0.4712884333805818
Energy: 0.4979049538516301
Energy: 0.5359356061195536
Energy: 0.5359347529888955
Energy: 0.4788312119663297
Energy: 0.5176400359459385
Energy: 0.5176400359536045
Energy: 0.46405914089297207
Energy: 0.5200567834870314
Energy: 0.5200567833682525
Energy: 0.4640591408814949
Energy: 0.4788312136348555
Energy: 0.47883121214543484
Energy: 0.4961037011711652
Energy: 0.5359352582378201
Energy: 0.5359368667582519
Energy: 0.4961036851860816
Energy: 0.5359392282595336
Energy: 0.5359381288576233
   minimum gb energy = 0.4640591408814949 eV
   minimum distance = 2.54456593904284 Angstroms
   sigma value = 25

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

Energy: 0.53876630390998
Energy: 0.5155899899707185
Energy: 0.5155899893986713
Energy: 0.5350014961337054
Energy: 0.5094177469928446
Energy: 0.5094173667501288
Energy: 0.5350014469654429
Energy: 0.4947542924979041
Energy: 0.49475444962269566
Energy: 0.5217280074002479
Energy: 0.515589989714214
Energy: 0.5155899884483515
Energy: 0.5185422098531073
Energy: 0.499375821468225
Energy: 0.4993758997655693
Energy: 0.5185422300775309
Energy: 0.5153817259361015
Energy: 0.5153817267257805
Energy: 0.5000064124497524
Energy: 0.515589986538125
Energy: 0.5155899867349398
Energy: 0.5127665413061867
Energy: 0.5234793495545653
Energy: 0.5353113254854381
Energy: 0.5093761072556376
Energy: 0.5121624045676881
Energy: 0.5121624413635489
Energy: 0.48166726548495786
Energy: 0.5305210529593033
Energy: 0.5305215368871651
   minimum gb energy = 0.48166726548495786 eV
   minimum distance = 2.42922194614956 Angstroms
   sigma value = 205

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

Energy: 0.5362371558111428
Energy: 0.5169573534052014
Energy: 0.5169570703260328
Energy: 0.5077994180627194
Energy: 0.518108460418136
Energy: 0.5181085613810472
Energy: 0.5617255568531783
Energy: 0.5581479112437285
Energy: 0.5581454694110778
Energy: 0.5154649600001551
Energy: 0.51077237456295
Energy: 0.5107724026989385
Energy: 0.5254567376413463
Energy: 0.544352247598997
Energy: 0.534073515737104
Energy: 0.5577995547714122
Energy: 0.5227160752850168
Energy: 0.5227160235756353
Energy: 0.5275419773136926
Energy: 0.5147951371029573
Energy: 0.5147953919052125
Energy: 0.4975387976263314
Energy: 0.5147951795964745
Energy: 0.5147951689895244
Energy: 0.5431240755488221
Energy: 0.5287030078602591
Energy: 0.528703010950201
Energy: 0.5164058300116162
Energy: 0.5071807832103848
Energy: 0.507180773983921
   minimum gb energy = 0.4975387976263314 eV
   minimum distance = 2.49196732414477 Angstroms
   sigma value = 85

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

Energy: 0.539088612165848
Energy: 0.5390918133273339
Energy: 0.5390918124901318
Energy: 0.5041941098568887
Energy: 0.5214672233156254
Energy: 0.5214672222364783
Energy: 0.5652683623698335
Energy: 0.5200016313849999
Energy: 0.520001633254505
Energy: 0.5055148891018969
Energy: 0.5042967629000439
Energy: 0.5042962838032286
Energy: 0.5070290437520248
Energy: 0.5426865175135529
Energy: 0.5426860418640287
Energy: 0.5230592562143811
Energy: 0.5221611065636678
Energy: 0.5221610556638
Energy: 0.5459324084262679
Energy: 0.5138795144594485
Energy: 0.5138795453068825
Energy: 0.5561175719449684
Energy: 0.5042965778411754
Energy: 0.5042967959811823
Energy: 0.5453471820860606
Energy: 0.5256948484551516
Energy: 0.525694833125356
Energy: 0.48620231105788403
Energy: 0.5123902681845715
Energy: 0.5123902688438524
   minimum gb energy = 0.48620231105788403 eV
   minimum distance = 2.55534324304841 Angstroms
   sigma value = 89

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

Energy: 0.49045470973028404
Energy: 0.4932123196000992
Energy: 0.4932123195456134
Energy: 0.6166083232198378
Energy: 0.477987343228808
Energy: 0.4779873432216976
Energy: 0.6015951938860976
Energy: 0.5249122206384628
Energy: 0.5249122159690375
Energy: 0.4779873432536673
Energy: 0.4802836180694022
Energy: 0.48028361628788274
Energy: 0.5377872190274451
Energy: 0.47666826334935336
Energy: 0.4766682365126074
Energy: 0.47798735921879754
Energy: 0.49539006683719594
Energy: 0.4953898934880486
Energy: 0.5404068046303095
Energy: 0.5249121979381085
Energy: 0.5249122145760285
Energy: 0.47798734323591835
Energy: 0.49538991265733373
Energy: 0.49538986104253024
Energy: 0.4766682270706836
Energy: 0.5249122069523879
Energy: 0.5249121978848078
Energy: 0.4786206218559768
Energy: 0.4779873432169574
Energy: 0.47798736624543825
   minimum gb energy = 0.4766682270706836 eV
   minimum distance = 2.66408514561526 Angstroms
   sigma value = 17

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

Energy: 0.5462310091637487
Energy: 0.5466247373842109
Energy: 0.5466247527245389
Energy: 0.5133172503445788
Energy: 0.5744273274703671
Energy: 0.5744280022225012
Energy: 0.5542159787553006
Energy: 0.5463351365362886
Energy: 0.5463462145665757
Energy: 0.5434178396881879
Energy: 0.5346156634635606
Energy: 0.5346156302392976
Energy: 0.5331717342513905
Energy: 0.5773390393652321
Energy: 0.5773393011126602
Energy: 0.5782437921006403
Energy: 0.5581386538907345
Energy: 0.5581504916241433
Energy: 0.5382602776178727
Energy: 0.5320820580072017
Energy: 0.5320820506027092
Energy: 0.4981804168772003
Energy: 0.5075846825112743
Energy: 0.5075846824731906
Energy: 0.5918509307622796
Energy: 0.5547623695300903
Energy: 0.5547623726972025
Energy: 0.529250020278982
Energy: 0.5346163695649497
Energy: 0.5346156077760001
   minimum gb energy = 0.4981804168772003 eV
   minimum distance = 2.4319631933023 Angstroms
   sigma value = 241

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

Energy: 0.5481962309427
Energy: 0.5109011379188523
Energy: 0.5109011376215618
Energy: 0.5289428628109053
Energy: 0.5460197210640724
Energy: 0.5460195615762234
Energy: 0.5870938366568994
Energy: 0.5751404213830243
Energy: 0.5751390800646086
Energy: 0.5266771030051958
Energy: 0.5109011337505697
Energy: 0.5109011342688706
Energy: 0.5029443010368818
Energy: 0.5109011354138545
Energy: 0.5109011373242907
Energy: 0.5916373887333515
Energy: 0.5880706844823735
Energy: 0.5880702193002495
Energy: 0.5318450404353798
Energy: 0.5482795692067297
Energy: 0.5482793361560477
Energy: 0.5266770041332532
Energy: 0.5109011383814624
Energy: 0.5109011418793704
Energy: 0.5029443001596193
Energy: 0.5425547514362573
Energy: 0.5425509654127166
Energy: 0.5690015531144176
Energy: 0.5094614628133209
Energy: 0.5094614254696876
   minimum gb energy = 0.5029443001596193 eV
   minimum distance = 2.43799444480935 Angstroms
   sigma value = 65

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

Energy: 0.5613881884227705
Energy: 0.5092815975831799
Energy: 0.5092815874981133
Energy: 0.49785892501860374
Energy: 0.5188062461966503
Energy: 0.5188062415187248
Energy: 0.497412558448563
Energy: 0.5510601671078302
Energy: 0.551053908276038
Energy: 0.5334029422751804
Energy: 0.513183936685123
Energy: 0.5131839155616679
Energy: 0.6430948479856591
Energy: 0.503927680333133
Energy: 0.5039276741706012
Energy: 0.6049393769418558
Energy: 0.5466920636718002
Energy: 0.5566240717298149
Energy: 0.49741259349639544
Energy: 0.5510585589893862
Energy: 0.5510540734456918
Energy: 0.5267171078545911
Energy: 0.5388870264921536
Energy: 0.5388870334570575
Energy: 0.5039276832211962
Energy: 0.5267873332751287
Energy: 0.52678769377906
Energy: 0.4978588687829154
Energy: 0.5685738332627274
Energy: 0.5685740072333962
   minimum gb energy = 0.497412558448563 eV
   minimum distance = 2.56255478166172 Angstroms
   sigma value = 53

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

Energy: 0.5289996636948707
Energy: 0.5346987809890834
Energy: 0.5346987528080315
Energy: 0.6207318951316835
Energy: 0.5760643843093949
Energy: 0.5760714946087611
Energy: 0.5250771083509335
Energy: 0.5458045762898059
Energy: 0.545804448654499
Energy: 0.5267713525415326
Energy: 0.6059161536421226
Energy: 0.605917559668705
Energy: 0.6532539779386973
Energy: 0.5391303219456625
Energy: 0.539130464532253
Energy: 0.4972929313312867
Energy: 0.5998000873131362
Energy: 0.5997998156798833
Energy: 0.5246653707073468
Energy: 0.5456071718978839
Energy: 0.5456072059867808
Energy: 0.5656709880941341
Energy: 0.5475637390223531
Energy: 0.5475636107821917
Energy: 0.5290517384497928
Energy: 0.5348215644926989
Energy: 0.53482076513791
Energy: 0.6181527655976351
Energy: 0.5778576237022491
Energy: 0.5778580702038506
   minimum gb energy = 0.4972929313312867 eV
   minimum distance = 2.56135563839671 Angstroms
   sigma value = 109

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

Energy: 0.5765438655437288
Energy: 0.5684932853335156
Energy: 0.5684922854933321
Energy: 0.5346011210730212
Energy: 0.5789411185906909
Energy: 0.578941119537601
Energy: 0.5280009930357616
Energy: 0.561139555219742
Energy: 0.561139377337473
Energy: 0.5543623916678658
Energy: 0.5316867757374412
Energy: 0.531686775720949
Energy: 0.6393534832356782
Energy: 0.5765437988189569
Energy: 0.5765438267837112
Energy: 0.5543624129025216
Energy: 0.5316867757518106
Energy: 0.5316867757543251
Energy: 0.5280009856890858
Energy: 0.5611395727659394
Energy: 0.5611404596220482
Energy: 0.5346011210647588
Energy: 0.5789411919924926
Energy: 0.5789411262407894
Energy: 0.57654390062502
Energy: 0.5684919289148008
Energy: 0.5684920218448936
Energy: 0.5346011210974491
Energy: 0.5789411185099286
Energy: 0.5789411260156473
   minimum gb energy = 0.5280009856890858 eV
   minimum distance = 2.4436980285263 Angstroms
   sigma value = 185

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

Energy: 0.4815675905096963
Energy: 0.48156758524162163
Energy: 0.48156758189326165
Energy: 0.5562693946730616
Energy: 0.4909309466600126
Energy: 0.4909309408004002
Energy: 0.49297280112158437
Energy: 0.5335959852785235
Energy: 0.5335960360133933
Energy: 0.5729059818868381
Energy: 0.49093093333459337
Energy: 0.4909309359632052
Energy: 0.4815675887752915
Energy: 0.48156758180676973
Energy: 0.48156758189944215
Energy: 0.5562693966839036
Energy: 0.4909310413573916
Energy: 0.4909309349253365
Energy: 0.4929728013918762
Energy: 0.5335959852553466
Energy: 0.533595985695532
Energy: 0.5730558929852131
Energy: 0.5116179924559833
Energy: 0.5116179933610413
Energy: 0.48156758413734757
Energy: 0.4815675818423076
Energy: 0.48156758571576486
Energy: 0.556269404999179
Energy: 0.5116179924667991
Energy: 0.511617993357951
   minimum gb energy = 0.48156758180676973 eV
   minimum distance = 2.58245717200225 Angstroms
   sigma value = 9

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

Energy: 0.5553466249507338
Energy: 0.5509706160520893
Energy: 0.5509704194416064
Energy: 0.6381451460199885
Energy: 0.5650623724662404
Energy: 0.5650637021558642
Energy: 0.5532151712544209
Energy: 0.563077132470447
Energy: 0.5630771327227805
Energy: 0.5530186712432386
Energy: 0.5488718858526701
Energy: 0.548872380784842
Energy: 0.5540190122971073
Energy: 0.5816850971231947
Energy: 0.5816864665157131
Energy: 0.5537089286597638
Energy: 0.5605668103287886
Energy: 0.5605666865974562
Energy: 0.6654924609687418
Energy: 0.5804446316844634
Energy: 0.5804445255311413
Energy: 0.5495991743801133
Energy: 0.5811114965798427
Energy: 0.5811115052044202
Energy: 0.6456035242732829
Energy: 0.5567179036316575
Energy: 0.5567177871506785
Energy: 0.5537089280920509
Energy: 0.5572113847318821
Energy: 0.557211408282234
   minimum gb energy = 0.5488718858526701 eV
   minimum distance = 2.42662485911446 Angstroms
   sigma value = 221

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

Energy: 0.5607394818501076
Energy: 0.5590363052432478
Energy: 0.5590363033835106
Energy: 0.5213888217469582
Energy: 0.5648564227189248
Energy: 0.5648540999718176
Energy: 0.5131297339901059
Energy: 0.5601846671878234
Energy: 0.5601846805636421
Energy: 0.5300736757156232
Energy: 0.5844794118532619
Energy: 0.5844789086845418
Energy: 0.5655266566382616
Energy: 0.5590576879884588
Energy: 0.5590574460733653
Energy: 0.6120453368392113
Energy: 0.5535972404660627
Energy: 0.5535972306862291
Energy: 0.6726978215536819
Energy: 0.5131245246669736
Energy: 0.5132335513161805
Energy: 0.6210870564085834
Energy: 0.5093894322615131
Energy: 0.5093894323846038
Energy: 0.6258187813319008
Energy: 0.5664662133207061
Energy: 0.5664671139175693
Energy: 0.6027416582701031
Energy: 0.5688966715106291
Energy: 0.5688886722536062
   minimum gb energy = 0.5093894322615131 eV
   minimum distance = 2.54493353967297 Angstroms
   sigma value = 137

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

Energy: 0.5292216763462877
Energy: 0.5828869051132981
Energy: 0.5828869675499798
Energy: 0.6550367942703854
Energy: 0.5502570373261185
Energy: 0.5502570506489567
Energy: 0.5972466341819884
Energy: 0.5668508728785342
Energy: 0.5668504254376187
Energy: 0.5442072913037925
Energy: 0.6256865596396641
Energy: 0.6256701618616546
Energy: 0.5972366965455792
Energy: 0.5801186404900986
Energy: 0.5801186323444635
Energy: 0.5442072649228169
Energy: 0.5537869937675426
Energy: 0.5537869832222593
Energy: 0.6687800751998699
Energy: 0.5975121783565863
Energy: 0.5975121782571317
Energy: 0.5442073491680829
Energy: 0.5531714233986437
Energy: 0.5531714326074764
Energy: 0.6157212447887153
Energy: 0.5471771628764677
Energy: 0.54717610110757
Energy: 0.5416703684451402
Energy: 0.5471826994419405
Energy: 0.5472766126968707
   minimum gb energy = 0.5292216763462877 eV
   minimum distance = 2.53489053035526 Angstroms
   sigma value = 73

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

Energy: 0.5606971985655942
Energy: 0.5654511074513223
Energy: 0.5654511519870344
Energy: 0.5515263288032327
Energy: 0.5734029319241174
Energy: 0.5734049879258557
Energy: 0.558610122091711
Energy: 0.5767523844384179
Energy: 0.5767523901564104
Energy: 0.5201149224019781
Energy: 0.5653400419166164
Energy: 0.5653400290759204
Energy: 0.5606973054747749
Energy: 0.5621679297169836
Energy: 0.5621679361236662
Energy: 0.536101451298582
Energy: 0.5655651517313066
Energy: 0.5655651517558629
Energy: 0.5331559702203188
Energy: 0.5760320766212481
Energy: 0.5760480672613432
Energy: 0.5361386739439833
Energy: 0.5525947881868221
Energy: 0.552594839589247
Energy: 0.5499257265415682
Energy: 0.5491112530915869
Energy: 0.5481447210111092
Energy: 0.5331559675687269
Energy: 0.5761364835778272
Energy: 0.5761600441281919
   minimum gb energy = 0.5201149224019781 eV
   minimum distance = 2.42082469500851 Angstroms
   sigma value = 97

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

Energy: 0.5465614885614266
Energy: 0.5541421109043009
Energy: 0.5541420982154809
Energy: 0.5502818177314172
Energy: 0.5402417022392435
Energy: 0.5402417021748437
Energy: 0.5457782211721114
Energy: 0.5641319213949421
Energy: 0.5641313492410895
Energy: 0.5331274506273213
Energy: 0.5704992427518363
Energy: 0.5704992584316892
Energy: 0.6458047320451569
Energy: 0.512481887677987
Energy: 0.5124818876870396
Energy: 0.5703876877874078
Energy: 0.573326616317235
Energy: 0.5733266189872381
Energy: 0.6016026044279971
Energy: 0.5262805790527275
Energy: 0.5262806594354773
Energy: 0.5768771104500554
Energy: 0.5603474115469739
Energy: 0.5603473891749047
Energy: 0.5465614903081807
Energy: 0.5838757124071332
Energy: 0.583872724425959
Energy: 0.5458171379010585
Energy: 0.563711912616499
Energy: 0.5637119404727577
   minimum gb energy = 0.512481887677987 eV
   minimum distance = 2.41896452017639 Angstroms
   sigma value = 7

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

Energy: 0.5304409123716918
Energy: 0.5359241173555773
Energy: 0.5359241056870446
Energy: 0.533125825069402
Energy: 0.5857620025558126
Energy: 0.5857633376625861
Energy: 0.6255739867584647
Energy: 0.5719735922296469
Energy: 0.5719765907337314
Energy: 0.5196061472603496
Energy: 0.5618109760472356
Energy: 0.5618075690141877
Energy: 0.5331258250637643
Energy: 0.5566936291635665
Energy: 0.5566936291534184
Energy: 0.548117339781544
Energy: 0.5850222438309273
Energy: 0.5850200661810456
Energy: 0.5800523150803518
Energy: 0.5233825712341055
Energy: 0.5233825954735313
Energy: 0.668906021378871
Energy: 0.535710699311636
Energy: 0.5357106889426403
Energy: 0.5623504282617109
Energy: 0.5636951834371949
Energy: 0.5636951884297162
Energy: 0.5481174658813988
Energy: 0.571039864308266
Energy: 0.5710396743988289
   minimum gb energy = 0.5196061472603496 eV
   minimum distance = 2.41921717204821 Angstroms
   sigma value = 169

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

Energy: 0.54769454948537
Energy: 0.5428051214077657
Energy: 0.5428051214051994
Energy: 0.5680348383004384
Energy: 0.5422906228513672
Energy: 0.5422906228424142
Energy: 0.5760812969666669
Energy: 0.5441126280339135
Energy: 0.5441126452795855
Energy: 0.5411966498967977
Energy: 0.5528648233457132
Energy: 0.552865346860392
Energy: 0.5245903469421874
Energy: 0.5483871255329469
Energy: 0.5483871694532564
Energy: 0.6364558272695174
Energy: 0.5410284577125007
Energy: 0.5410284581678175
Energy: 0.5380332065024082
Energy: 0.5741222887164423
Energy: 0.5741222315379909
Energy: 0.54180562510748
Energy: 0.5586418679293632
Energy: 0.5586419274632553
Energy: 0.6572328570986881
Energy: 0.5481054392408353
Energy: 0.5481054381916788
Energy: 0.5380332064896057
Energy: 0.5644867661890065
Energy: 0.5647023403236878
   minimum gb energy = 0.5245903469421874 eV
   minimum distance = 2.51779608860187 Angstroms
   sigma value = 29

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

Energy: 0.5297069066294386
Energy: 0.5387653103429122
Energy: 0.5387653088066389
Energy: 0.539490390073155
Energy: 0.559743403120098
Energy: 0.5597434314701412
Energy: 0.626129720082946
Energy: 0.5386738600379744
Energy: 0.53867394647356
Energy: 0.5412258972889953
Energy: 0.5549506768728635
Energy: 0.5549506769080873
Energy: 0.5389534722267146
Energy: 0.5887411388900408
Energy: 0.5887423717222682
Energy: 0.5574318750202756
Energy: 0.5734236314182629
Energy: 0.5734236317113289
Energy: 0.5340089074387405
Energy: 0.5448142696202479
Energy: 0.5448138207500122
Energy: 0.5559255475758245
Energy: 0.5743638780125314
Energy: 0.5743638779936792
Energy: 0.5653658323266127
Energy: 0.5859338858160107
Energy: 0.5859336099721835
Energy: 0.658374386525231
Energy: 0.5780282412130417
Energy: 0.5780283068232694
   minimum gb energy = 0.5297069066294386 eV
   minimum distance = 2.42162951368212 Angstroms
   sigma value = 97

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

Energy: 0.5352436431182906
Energy: 0.5364022786042735
Energy: 0.5364022029504133
Energy: 0.5366896009264466
Energy: 0.5678957161832456
Energy: 0.5678957171585874
Energy: 0.5426797582457377
Energy: 0.5504792120766634
Energy: 0.5504796646643285
Energy: 0.5545911824796785
Energy: 0.5439921974227715
Energy: 0.5439921878727563
Energy: 0.6653891818448999
Energy: 0.5284534884511076
Energy: 0.5284534884474681
Energy: 0.5638992104064248
Energy: 0.5390340186200951
Energy: 0.5390340181524318
Energy: 0.5244944898479074
Energy: 0.559608670909513
Energy: 0.5595864306500783
Energy: 0.5558476897711757
Energy: 0.5215915490507431
Energy: 0.5215915569964797
Energy: 0.5329190244842413
Energy: 0.5883117843537802
Energy: 0.5883115908517723
Energy: 0.5252088085891835
Energy: 0.5586514768131438
Energy: 0.5586520840177027
   minimum gb energy = 0.5215915490507431 eV
   minimum distance = 2.52610496475307 Angstroms
   sigma value = 73

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

Energy: 0.5315620209681963
Energy: 0.5346876950145404
Energy: 0.5346876949316449
Energy: 0.5830031527382926
Energy: 0.5209712469728799
Energy: 0.5209713078081255
Energy: 0.525892489712898
Energy: 0.5610590928349533
Energy: 0.5610590937822019
Energy: 0.6600252729222882
Energy: 0.525466672850741
Energy: 0.5254664510341395
Energy: 0.5356769448104446
Energy: 0.5688917513024244
Energy: 0.568891746948177
Energy: 0.574792330618127
Energy: 0.523934699997493
Energy: 0.5239348395810443
Energy: 0.5297558772220551
Energy: 0.561448441474846
Energy: 0.5614555255440422
Energy: 0.5286263074645329
Energy: 0.5271030092566051
Energy: 0.5270990578347131
Energy: 0.553766532264117
Energy: 0.5214181365947155
Energy: 0.5214181659949759
Energy: 0.5220191769682961
Energy: 0.5580176129475494
Energy: 0.5579887535285529
   minimum gb energy = 0.5209712469728799 eV
   minimum distance = 2.51896052883526 Angstroms
   sigma value = 205

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

Energy: 0.5291205418786704
Energy: 0.533174002978993
Energy: 0.533173836116574
Energy: 0.5262622615387931
Energy: 0.5586146044421135
Energy: 0.5586146141401073
Energy: 0.5263002584975967
Energy: 0.5579160434420253
Energy: 0.5579160516636026
Energy: 0.5210349986802961
Energy: 0.547349204526316
Energy: 0.547349202852477
Energy: 0.5250031455183192
Energy: 0.5590058136354051
Energy: 0.5590059279181185
Energy: 0.5451897358754166
Energy: 0.5580544434935375
Energy: 0.5580544748125417
Energy: 0.5631269279339818
Energy: 0.5240739850366875
Energy: 0.5240739850620462
Energy: 0.5654278221168882
Energy: 0.5257186403554781
Energy: 0.5257185710357997
Energy: 0.5300712304955176
Energy: 0.5257185940606386
Energy: 0.5257185042845206
Energy: 0.602289604740583
Energy: 0.5283776643991137
Energy: 0.5283776637647424
   minimum gb energy = 0.5210349986802961 eV
   minimum distance = 2.49972896889639 Angstroms
   sigma value = 137

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

Energy: 0.4891822750714664
Energy: 0.515506010628087
Energy: 0.5155059904666761
Energy: 0.46623260951956563
Energy: 0.4891822750697034
Energy: 0.489182275064017
Energy: 0.4898600477032189
Energy: 0.503057864380235
Energy: 0.5030578643734561
Energy: 0.48918227507342804
Energy: 0.4662355149327579
Energy: 0.46623551664558427
Energy: 0.4891822750714664
Energy: 0.4891822750740737
Energy: 0.489182275070796
Energy: 0.4891822750688343
Energy: 0.4892969565915521
Energy: 0.4892969568626087
Energy: 0.4662383815535704
Energy: 0.5030578643647156
Energy: 0.5030578643671241
Energy: 0.4891822752479413
Energy: 0.5029518151363217
Energy: 0.5029518150319067
Energy: 0.489182275109011
Energy: 0.4891822751435263
Energy: 0.48918227507233547
Energy: 0.46623551492880977
Energy: 0.5030578643669006
Energy: 0.5030578643673477
   minimum gb energy = 0.46623260951956563 eV
   minimum distance = 2.59701588199487 Angstroms
   sigma value = 5

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

Energy: 0.5018153560750456
Energy: 0.5217471278064556
Energy: 0.5217469522769879
Energy: 0.49640878059595617
Energy: 0.5562013512304559
Energy: 0.55620138568301
Energy: 0.4947469972512377
Energy: 0.4994523545460364
Energy: 0.4994523545431622
Energy: 0.5021525852847425
Energy: 0.4939379073359974
Energy: 0.49393790732766235
Energy: 0.525234577570709
Energy: 0.5249555889919371
Energy: 0.5249555911015128
Energy: 0.6264068739523839
Energy: 0.4936062773747755
Energy: 0.4936062773848352
Energy: 0.49248988469689364
Energy: 0.5006552124509728
Energy: 0.5006552125069933
Energy: 0.5074654692252946
Energy: 0.4982995531975069
Energy: 0.49829955897608835
Energy: 0.513817748186653
Energy: 0.4985791197966339
Energy: 0.49857911244657693
Energy: 0.505411143650929
Energy: 0.5494331184816064
Energy: 0.5494331743327527
   minimum gb energy = 0.49248988469689364 eV
   minimum distance = 2.54701304855043 Angstroms
   sigma value = 289

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

Energy: 0.4999445285541156
Energy: 0.5220900291806495
Energy: 0.522090188411252
Energy: 0.4913893042764417
Energy: 0.49220049643784913
Energy: 0.49220010250190654
Energy: 0.5477740428525809
Energy: 0.490481837097789
Energy: 0.4904819084618672
Energy: 0.5192655851602255
Energy: 0.4979337236986856
Energy: 0.4979336946939824
Energy: 0.49515241280383837
Energy: 0.5517667553913775
Energy: 0.5517674733139094
Energy: 0.565883345645659
Energy: 0.5131799823050072
Energy: 0.5131799790534113
Energy: 0.4921683365426318
Energy: 0.49473523921683044
Energy: 0.49473523925058527
Energy: 0.5067600803440443
Energy: 0.6141848304901425
Energy: 0.6141848911970779
Energy: 0.503704970570657
Energy: 0.4947352223574916
Energy: 0.49473525442753724
Energy: 0.5123819580298867
Energy: 0.4922299777362337
Energy: 0.4922299730354662
   minimum gb energy = 0.490481837097789 eV
   minimum distance = 2.54776200921151 Angstroms
   sigma value = 109

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

Energy: 0.5025564975288599
Energy: 0.5187039224835505
Energy: 0.51870392063559
Energy: 0.5090655357674588
Energy: 0.5262005636680192
Energy: 0.5262005630019052
Energy: 0.5164343325259895
Energy: 0.5072390825636056
Energy: 0.5072390966912433
Energy: 0.49451514721448814
Energy: 0.5480384733647812
Energy: 0.548038301309305
Energy: 0.495806012120169
Energy: 0.5167222800667706
Energy: 0.5167216894122711
Energy: 0.5196856866758378
Energy: 0.4901359733978101
Energy: 0.4901360381729219
Energy: 0.4917218982912979
Energy: 0.5427589438218168
Energy: 0.5427588486796114
Energy: 0.48889750208213506
Energy: 0.5601949673492114
Energy: 0.5601950610414228
Energy: 0.5683094017324691
Energy: 0.4945161986158878
Energy: 0.4945150855362204
Energy: 0.48717006841938915
Energy: 0.5147795356587712
Energy: 0.5147797288922682
   minimum gb energy = 0.48717006841938915 eV
   minimum distance = 2.45866799921134 Angstroms
   sigma value = 157

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

Energy: 0.4945614330222205
Energy: 0.523002804564508
Energy: 0.5230027857376491
Energy: 0.49872309066259163
Energy: 0.4887352586402727
Energy: 0.48873496027689806
Energy: 0.481196754769319
Energy: 0.4887340437940882
Energy: 0.488734111231165
Energy: 0.5012537320595939
Energy: 0.49339951998391385
Energy: 0.49339953596263403
Energy: 0.570867032426656
Energy: 0.4838711427801827
Energy: 0.4838708593372105
Energy: 0.6283444127166887
Energy: 0.4807564926051101
Energy: 0.4807564922156509
Energy: 0.5594626131212622
Energy: 0.481196754076753
Energy: 0.48119675477596313
Energy: 0.49095006420795745
Energy: 0.48387032511315886
Energy: 0.4838702256901668
Energy: 0.504951600003195
Energy: 0.4862393730622305
Energy: 0.4862393713426476
Energy: 0.48506943046616335
Energy: 0.555418075713589
Energy: 0.5554181571711962
   minimum gb energy = 0.4807564922156509 eV
   minimum distance = 2.53113984823604 Angstroms
   sigma value = 53

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

Energy: 0.4901581985840103
Energy: 0.521859419730408
Energy: 0.5218594173460476
Energy: 0.538145734600713
Energy: 0.4805477193154709
Energy: 0.48054767776929774
Energy: 0.48461841175422815
Energy: 0.5915861112045885
Energy: 0.5915861115159599
Energy: 0.6378535980860348
Energy: 0.48216702456410443
Energy: 0.48216702675036965
Energy: 0.5022193748839932
Energy: 0.5818651012213689
Energy: 0.5818648220993571
Energy: 0.6475259502535968
Energy: 0.4921725155950287
Energy: 0.49217251362625236
Energy: 0.4888942019382374
Energy: 0.5818652174456201
Energy: 0.5818647665233243
Energy: 0.5724973540493287
Energy: 0.5131556779630283
Energy: 0.5131557872559571
Energy: 0.48216701809618867
Energy: 0.5855176363611788
Energy: 0.5855179074984179
Energy: 0.5938999780834618
Energy: 0.47805642506402707
Energy: 0.47805642489926453
   minimum gb energy = 0.47805642489926453 eV
   minimum distance = 2.55256903920482 Angstroms
   sigma value = 1

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

Energy: 0.49248342570798476
Energy: 0.4791698450221322
Energy: 0.4791696630466487
Energy: 0.5203615427513287
Energy: 0.4818862171781547
Energy: 0.48188631772486323
Energy: 0.48702430031326777
Energy: 0.48410313172557257
Energy: 0.484103127303739
Energy: 0.4791696682728765
Energy: 0.4786936323503374
Energy: 0.4786937795535681
Energy: 0.5494677220882652
Energy: 0.5133236659238317
Energy: 0.5133236658784611
Energy: 0.49064143185886655
Energy: 0.5832386541460698
Energy: 0.5832614058599758
Energy: 0.5399505174844705
Energy: 0.5239156165634625
Energy: 0.5239156151892332
Energy: 0.4743241720491482
Energy: 0.5628058091094436
Energy: 0.562805910751219
Energy: 0.4824922913205884
Energy: 0.47865780139844116
Energy: 0.47865780056421564
Energy: 0.4854169903849478
Energy: 0.4946849605284375
Energy: 0.4946849605470781
   minimum gb energy = 0.4743241720491482 eV
   minimum distance = 2.51663529433456 Angstroms
   sigma value = 3

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

Energy: 0.5369934120249675
Energy: 0.47407456522810143
Energy: 0.4740746175381484
Energy: 0.46257662392857757
Energy: 0.4920532386525749
Energy: 0.4920532382605798
Energy: 0.46834562268311253
Energy: 0.5437117343577358
Energy: 0.543711734263922
Energy: 0.462576624181528
Energy: 0.590703763971182
Energy: 0.5907037927181383
Energy: 0.4708593374753149
Energy: 0.4793785280743824
Energy: 0.4793786030504812
Energy: 0.6376700173746347
Energy: 0.4673805454487842
Energy: 0.46738034214209556
Energy: 0.541144637995157
Energy: 0.46738038212615
Energy: 0.4673803628984304
Energy: 0.5415394137095869
Energy: 0.45807071416476824
Energy: 0.4580709568155934
Energy: 0.46257664071220767
Energy: 0.5644268630785343
Energy: 0.5644275101876491
Energy: 0.46834562178771133
Energy: 0.49954556569245073
Energy: 0.4995455114475671
   minimum gb energy = 0.45807071416476824 eV
   minimum distance = 2.53233126768936 Angstroms
   sigma value = 17

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

Energy: 0.4798769688006557
Energy: 0.4831592589846028
Energy: 0.48315954266213773
Energy: 0.4695921628918572
Energy: 0.49944109974779927
Energy: 0.4994411109501769
Energy: 0.4706316708759526
Energy: 0.5588907181499063
Energy: 0.5588907181249386
Energy: 0.519683455612621
Energy: 0.4677658141245567
Energy: 0.46776581875818396
Energy: 0.5644556884572712
Energy: 0.46055587865585634
Energy: 0.46055587866834025
Energy: 0.5292262457956545
Energy: 0.4743800296378178
Energy: 0.474380029561663
Energy: 0.4743800289022272
Energy: 0.4692284303365747
Energy: 0.46922843006236514
Energy: 0.45768408052526965
Energy: 0.5639729724355851
Energy: 0.5639729726870675
Energy: 0.46751680687168495
Energy: 0.4938351416568628
Energy: 0.49383514148249547
Energy: 0.4592316153613626
Energy: 0.5710311519877396
Energy: 0.5710311518344697
   minimum gb energy = 0.45768408052526965 eV
   minimum distance = 2.52037344889799 Angstroms
   sigma value = 233

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

Energy: 0.47315307994211314
Energy: 0.6210789947029309
Energy: 0.6210791227461406
Energy: 0.4632159180323864
Energy: 0.5265510052287641
Energy: 0.5265510052743417
Energy: 0.4934588510730466
Energy: 0.4630739295439521
Energy: 0.4630739295128764
Energy: 0.49035937987738554
Energy: 0.5096591838815077
Energy: 0.5245421652451332
Energy: 0.4641469608264453
Energy: 0.521394720920291
Energy: 0.5213947209032466
Energy: 0.4629157510219614
Energy: 0.5611246977501139
Energy: 0.5611246952868969
Energy: 0.4641469607932979
Energy: 0.4678800800427595
Energy: 0.46788007996718917
Energy: 0.5815489581494773
Energy: 0.4749803252765807
Energy: 0.47498033504968756
Energy: 0.45643603553868173
Energy: 0.4645730943717085
Energy: 0.464573096190906
Energy: 0.45899798320014573
Energy: 0.6167378320990174
Energy: 0.6167378115661045
   minimum gb energy = 0.45643603553868173 eV
   minimum distance = 2.61222741091584 Angstroms
   sigma value = 89

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

Energy: 0.4944248666782652
Energy: 0.47351808590189415
Energy: 0.47351808578875426
Energy: 0.4953387337576335
Energy: 0.45839485452613765
Energy: 0.4583948553708203
Energy: 0.4546616528708713
Energy: 0.612467110097299
Energy: 0.6124671100796858
Energy: 0.5181235756125852
Energy: 0.4492330023612579
Energy: 0.4492330037307244
Energy: 0.4480141198796665
Energy: 0.6057768429030563
Energy: 0.6057768507037486
Energy: 0.5916760682226685
Energy: 0.44624972384381556
Energy: 0.44624968967522044
Energy: 0.4568057401251488
Energy: 0.5852508349384129
Energy: 0.5852505745852752
Energy: 0.513762736984409
Energy: 0.4575760409123242
Energy: 0.45757603916078465
Energy: 0.45466679651565495
Energy: 0.4471957861601319
Energy: 0.4471957860597334
Energy: 0.5954874276374487
Energy: 0.4527848260943275
Energy: 0.4527848149831089
   minimum gb energy = 0.44624968967522044 eV
   minimum distance = 2.54319171746039 Angstroms
   sigma value = 85

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

Energy: 0.4649429319585468
Energy: 0.5865716778126824
Energy: 0.586571725321342
Energy: 0.4499656160678405
Energy: 0.5500075812794564
Energy: 0.5500073079750679
Energy: 0.4495058410946788
Energy: 0.4528580244944005
Energy: 0.45285802449498763
Energy: 0.49079850399850966
Energy: 0.46020125312504107
Energy: 0.4602012494669196
Energy: 0.4463149206897393
Energy: 0.52180075134455
Energy: 0.5218007772416425
Energy: 0.4517038681820714
Energy: 0.5203307295740849
Energy: 0.5203307326837484
Energy: 0.4489266591935918
Energy: 0.481617025959837
Energy: 0.48161702589850586
Energy: 0.4462420193169491
Energy: 0.5355604673561275
Energy: 0.5355604673100622
Energy: 0.48467405384763945
Energy: 0.45920878070886995
Energy: 0.4592089110564928
Energy: 0.537237111706157
Energy: 0.4489266022934094
Energy: 0.44892688645099443
   minimum gb energy = 0.4462420193169491 eV
   minimum distance = 2.53803346802384 Angstroms
   sigma value = 69

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

Energy: 0.41200091419283846
Energy: 0.4120009145003071
Energy: 0.41200091418877294
Energy: 0.42187872934380716
Energy: 0.4120009160986943
Energy: 0.41200091418877294
Energy: 0.41599655421237575
Energy: 0.42602005853155855
Energy: 0.4260200577025666
Energy: 0.42187872922461417
Energy: 0.4260200595569725
Energy: 0.4260200582471123
Energy: 0.421878729262528
Energy: 0.4260200587320461
Energy: 0.42602005778249064
Energy: 0.620446125201312
Energy: 0.42187872922461417
Energy: 0.42187872926659353
Energy: 0.421878729215128
Energy: 0.45156630170472534
Energy: 0.45156630144601184
Energy: 0.41200091418606266
Energy: 0.4862765026165405
Energy: 0.48627650734804034
Energy: 0.41200091419283846
Energy: 0.42602005751700134
Energy: 0.42602005751971167
Energy: 0.42187872923545544
Energy: 0.4260200578515733
Energy: 0.4260200593321074
   minimum gb energy = 0.41200091418606266 eV
   minimum distance = 2.57174762730297 Angstroms
   sigma value = 13

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

Energy: 0.5146715396632622
Energy: 0.43546032215279673
Energy: 0.4354603179667393
Energy: 0.42156526006346573
Energy: 0.5076661620169615
Energy: 0.5076661619709447
Energy: 0.42626096394359986
Energy: 0.506339431716733
Energy: 0.5063390660468885
Energy: 0.42356959172506137
Energy: 0.4706241023221577
Energy: 0.47062410234839674
Energy: 0.4186445187796508
Energy: 0.425075069116841
Energy: 0.4250750708373537
Energy: 0.4173011228694189
Energy: 0.42236103656887597
Energy: 0.42236103659019875
Energy: 0.4162417436170321
Energy: 0.4223610365920529
Energy: 0.42236103671498887
Energy: 0.5152643964766017
Energy: 0.4240308760370839
Energy: 0.42403087622797725
Energy: 0.5145721341681122
Energy: 0.42236103658340013
Energy: 0.42236103654109175
Energy: 0.5262308676079339
Energy: 0.419713951654779
Energy: 0.4197139449781737
   minimum gb energy = 0.4162417436170321 eV
   minimum distance = 2.55599339181589 Angstroms
   sigma value = 125

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

Energy: 0.43514902814007805
Energy: 0.42998846183534234
Energy: 0.42998840687560025
Energy: 0.4269503503706108
Energy: 0.42360911097663334
Energy: 0.4236091128347271
Energy: 0.4159093994713283
Energy: 0.4170063155102145
Energy: 0.4170063155414187
Energy: 0.40790966630699116
Energy: 0.4573460417137275
Energy: 0.45734604171532867
Energy: 0.5382532734453331
Energy: 0.4117117509190575
Energy: 0.4117117509702759
Energy: 0.4159094087106331
Energy: 0.4461465997115335
Energy: 0.44614659316935945
Energy: 0.414033122510926
Energy: 0.41096067275000064
Energy: 0.4109606742159955
Energy: 0.4730417279675638
Energy: 0.41646521307211837
Energy: 0.4164652125207601
Energy: 0.41779802326730164
Energy: 0.4528158326740436
Energy: 0.4528154483927251
Energy: 0.4102340333669027
Energy: 0.4236091347815101
Energy: 0.4236091509259031
   minimum gb energy = 0.40790966630699116 eV
   minimum distance = 2.55133291738173 Angstroms
   sigma value = 37

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

Energy: 0.4231305059503367
Energy: 0.4073059822768708
Energy: 0.40730598226380677
Energy: 0.40436339147282946
Energy: 0.4128427125238394
Energy: 0.4128427125391754
Energy: 0.4076953662106639
Energy: 0.4128427125715514
Energy: 0.4128427126237816
Energy: 0.407305982291045
Energy: 0.41424507138059635
Energy: 0.41424507048808784
Energy: 0.49506374524192626
Energy: 0.4142452370181458
Energy: 0.41424507043415365
Energy: 0.4043633910072761
Energy: 0.41284271255394345
Energy: 0.4128427124477791
Energy: 0.4105987448430886
Energy: 0.44065711179586514
Energy: 0.4406571125134814
Energy: 0.581630627928745
Energy: 0.4142450714095386
Energy: 0.41424506812626677
Energy: 0.40841425932300046
Energy: 0.40682426887548545
Energy: 0.4068242688982054
Energy: 0.41059874466027
Energy: 0.43407763315394815
Energy: 0.4340776324998962
   minimum gb energy = 0.4043633910072761 eV
   minimum distance = 2.57713983264128 Angstroms
   sigma value = 37

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

Energy: 0.5065809359568015
Energy: 0.40228240943132776
Energy: 0.402282612997864
Energy: 0.39798297177685404
Energy: 0.40441394068715614
Energy: 0.4044139424484184
Energy: 0.39529704369751584
Energy: 0.4546189762618171
Energy: 0.45461899436388115
Energy: 0.3969502336973762
Energy: 0.4027987171206415
Energy: 0.4027987080561709
Energy: 0.39464058572698346
Energy: 0.40008373863710855
Energy: 0.40008374230796445
Energy: 0.49996821209310316
Energy: 0.4061227044480782
Energy: 0.4061227052735668
Energy: 0.39971134860680174
Energy: 0.4336345759167033
Energy: 0.43363457586213233
Energy: 0.6113295763440311
Energy: 0.3991420290861271
Energy: 0.3991420309917365
Energy: 0.40225668454068075
Energy: 0.4409172897983358
Energy: 0.44091723618732787
Energy: 0.3952969575349147
Energy: 0.4305703706029293
Energy: 0.43057037036273194
   minimum gb energy = 0.39464058572698346 eV
   minimum distance = 2.56133619105379 Angstroms
   sigma value = 185

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

Energy: 0.4833264355052539
Energy: 0.41174851320104344
Energy: 0.411748540153386
Energy: 0.40049560311359295
Energy: 0.40571978458429236
Energy: 0.40571978458949826
Energy: 0.4743344149691021
Energy: 0.4049535422884881
Energy: 0.4049535423071145
Energy: 0.4026027868289701
Energy: 0.4279251097913035
Energy: 0.4279250972746762
Energy: 0.472029764338853
Energy: 0.397974769504011
Energy: 0.39797490091541526
Energy: 0.3984396847085182
Energy: 0.47017069174083764
Energy: 0.47017136605752147
Energy: 0.39901908740312625
Energy: 0.40097556870386875
Energy: 0.40097556465039075
Energy: 0.561038666817129
Energy: 0.40202813783107594
Energy: 0.4020281204958571
Energy: 0.40105174376236413
Energy: 0.4013768147725487
Energy: 0.40137681887010906
Energy: 0.4743344101741995
Energy: 0.4049535423656681
Energy: 0.40495354232970493
   minimum gb energy = 0.397974769504011 eV
   minimum distance = 2.5458058004888 Angstroms
   sigma value = 173

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

Energy: 0.45918148787923724
Energy: 0.5251646864958982
Energy: 0.5251647473440597
Energy: 0.43991367264177705
Energy: 0.5301189395178937
Energy: 0.530118876159377
Energy: 0.3793370415462159
Energy: 0.37443093304341224
Energy: 0.37443093305120784
Energy: 0.374026143913064
Energy: 0.4259131324381286
Energy: 0.42591313096514116
Energy: 0.38081553480821034
Energy: 0.38463133532202737
Energy: 0.38463133601065935
Energy: 0.37933704200140234
Energy: 0.3846938639710449
Energy: 0.384693912619098
Energy: 0.4399136818900249
Energy: 0.38469391154657245
Energy: 0.38469393389748385
Energy: 0.4591814878821689
Energy: 0.38469392019702575
Energy: 0.3846939095304928
Energy: 0.43991367273847776
Energy: 0.42591313846298096
Energy: 0.4259131331668268
Energy: 0.3793370415530565
Energy: 0.3846938538202418
Energy: 0.384693910442798
   minimum gb energy = 0.374026143913064 eV
   minimum distance = 2.57711015663218 Angstroms
   sigma value = 25

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

Energy: 0.4654952345501094
Energy: 0.3818125061711886
Energy: 0.3818125065270309
Energy: 0.37384873111610684
Energy: 0.3850552868660498
Energy: 0.3850547265095245
Energy: 0.4735963475687835
Energy: 0.3809791374268116
Energy: 0.38097913396602223
Energy: 0.3700242491821181
Energy: 0.4204215762915323
Energy: 0.4204215763216214
Energy: 0.37842213274004216
Energy: 0.4090425833310932
Energy: 0.40904258332694954
Energy: 0.38505514548411585
Energy: 0.4029384902848988
Energy: 0.40293849029085704
Energy: 0.3725730312014249
Energy: 0.3839941379904686
Energy: 0.38399413804525734
Energy: 0.5991748726308878
Energy: 0.37617782670833483
Energy: 0.37617782669343924
Energy: 0.37357450434048106
Energy: 0.3813520443037411
Energy: 0.38135204429510167
Energy: 0.37377433868728294
Energy: 0.3885183228573773
Energy: 0.3885183234249267
   minimum gb energy = 0.3700242491821181 eV
   minimum distance = 2.54666829052072 Angstroms
   sigma value = 269

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

Energy: 0.5178681243724705
Energy: 0.5027679332727463
Energy: 0.5027675467135515
Energy: 0.36337783966331527
Energy: 0.3815948816706746
Energy: 0.3815948220206803
Energy: 0.5086682171849268
Energy: 0.3729904535529674
Energy: 0.3729904541192649
Energy: 0.3984630002746831
Energy: 0.3744732014944376
Energy: 0.37447320153127267
Energy: 0.3984630055768074
Energy: 0.5825895693828324
Energy: 0.5825895116809856
Energy: 0.3642239410145353
Energy: 0.38159480789795364
Energy: 0.3815948108715807
Energy: 0.516039400719822
Energy: 0.36363303805457625
Energy: 0.36363303863454816
Energy: 0.5178681275662508
Energy: 0.3744732015227213
Energy: 0.37447320150472263
Energy: 0.36337783981496036
Energy: 0.38251433272712315
Energy: 0.38251424851120713
Energy: 0.3642239431618572
Energy: 0.47596031661962035
Energy: 0.47596016622138065
   minimum gb energy = 0.36337783966331527 eV
   minimum distance = 2.57085576177603 Angstroms
   sigma value = 65

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

Energy: 0.5152012494401527
Energy: 0.586229510068227
Energy: 0.5862287645531915
Energy: 0.46068106332593606
Energy: 0.3712262094698066
Energy: 0.3712262138990865
Energy: 0.3672741152012674
Energy: 0.6027528072152106
Energy: 0.6027534056531945
Energy: 0.46664349553282675
Energy: 0.3631686568943517
Energy: 0.3631686707165851
Energy: 0.36654303597487403
Energy: 0.4002102386831839
Energy: 0.4002102613450662
Energy: 0.5455109450082506
Energy: 0.3649944621483119
Energy: 0.3649944828005549
Energy: 0.36515021518476626
Energy: 0.3911513275612083
Energy: 0.3911513135028139
Energy: 0.5930471806992913
Energy: 0.36499439361030844
Energy: 0.3649944881904959
Energy: 0.36515021174932877
Energy: 0.4838508622900768
Energy: 0.4838509290990599
Energy: 0.4333074879811602
Energy: 0.3644995451966504
Energy: 0.3644994595345994
   minimum gb energy = 0.3631686568943517 eV
   minimum distance = 2.55981393448253 Angstroms
   sigma value = 79

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

Energy: 0.4224096693170669
Energy: 0.35904701033263337
Energy: 0.3590470598927361
Energy: 0.40058741381061325
Energy: 0.365293865169807
Energy: 0.36529385970550315
Energy: 0.40639463633978823
Energy: 0.35643058698018487
Energy: 0.35643061664867204
Energy: 0.3506572188031151
Energy: 0.3684065686325583
Energy: 0.3684065672001461
Energy: 0.3506572277280037
Energy: 0.3564305882356657
Energy: 0.35643060488258
Energy: 0.34633464960225047
Energy: 0.45689059404998916
Energy: 0.45689059404159527
Energy: 0.40058742381249035
Energy: 0.3506572185087036
Energy: 0.35065721957958756
Energy: 0.42240966946579883
Energy: 0.3684065694380278
Energy: 0.3684065684784847
Energy: 0.4005874318815458
Energy: 0.459102743278085
Energy: 0.4591027456647334
Energy: 0.3923862691135256
Energy: 0.34802558214822826
Energy: 0.34802558152125096
   minimum gb energy = 0.34633464960225047 eV
   minimum distance = 2.56935188973206 Angstroms
   sigma value = 41

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

Energy: 0.4424421319568935
Energy: 0.5391643707268244
Energy: 0.5391642495712556
Energy: 0.3330749140194257
Energy: 0.350923069535148
Energy: 0.3509230695042385
Energy: 0.33695759063827596
Energy: 0.35092307013549245
Energy: 0.350923069592529
Energy: 0.5318020067528899
Energy: 0.3465994572875993
Energy: 0.34659945718999524
Energy: 0.42550866383953584
Energy: 0.3465994571793379
Energy: 0.34659945715186624
Energy: 0.34211127761337273
Energy: 0.5395675802414677
Energy: 0.539575952793218
Energy: 0.3413849984902855
Energy: 0.4283425949974659
Energy: 0.4283412765974663
Energy: 0.5202440092698183
Energy: 0.350923069490487
Energy: 0.35092306956505737
Energy: 0.3814844785549572
Energy: 0.3366331800780829
Energy: 0.3366331800103571
Energy: 0.33404662901509685
Energy: 0.3426649898724101
Energy: 0.34266498986897226
   minimum gb energy = 0.3330749140194257 eV
   minimum distance = 2.56647390467207 Angstroms
   sigma value = 101

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

Energy: 0.485407011504108
Energy: 0.5173873068544852
Energy: 0.5173804318038383
Energy: 0.41425180975137116
Energy: 0.32672270605191844
Energy: 0.32672277183179965
Energy: 0.32327766201811214
Energy: 0.4330485634917088
Energy: 0.4330558747108455
Energy: 0.32254341633122197
Energy: 0.3328282286184355
Energy: 0.3328282286153074
Energy: 0.3232776632637741
Energy: 0.43304509845579625
Energy: 0.43304655273471226
Energy: 0.32327769487210894
Energy: 0.33282822861718425
Energy: 0.33282827283834066
Energy: 0.32181543490006465
Energy: 0.33282822858655814
Energy: 0.3328282286340755
Energy: 0.48540702528379387
Energy: 0.4330643727702065
Energy: 0.4330676860376842
Energy: 0.4787421117310383
Energy: 0.3328282286103026
Energy: 0.3328282286140562
Energy: 0.32327766462699264
Energy: 0.5339429877053739
Energy: 0.5339421013479363
   minimum gb energy = 0.32181543490006465 eV
   minimum distance = 2.59962654063778 Angstroms
   sigma value = 15

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

Energy: 0.471362765955101
Energy: 0.503248348076565
Energy: 0.5032483889646868
Energy: 0.3811627683443419
Energy: 0.3272112651816508
Energy: 0.32721126949504004
Energy: 0.3135394768683927
Energy: 0.420274842417736
Energy: 0.42027395618564806
Energy: 0.3207823999458379
Energy: 0.42027379792675634
Energy: 0.4202738085476487
Energy: 0.5421433025629143
Energy: 0.3186873988549562
Energy: 0.3186878175126539
Energy: 0.31682112753185576
Energy: 0.5017037134355824
Energy: 0.5017002235364231
Energy: 0.31064062528780473
Energy: 0.4044227621932403
Energy: 0.40442276116193526
Energy: 0.5388318528505914
Energy: 0.32708178679797467
Energy: 0.32708178660782306
Energy: 0.3159765689900775
Energy: 0.4237875936492397
Energy: 0.42378761265860815
Energy: 0.3111896382482232
Energy: 0.36218628204273534
Energy: 0.36218628096638344
   minimum gb energy = 0.31064062528780473 eV
   minimum distance = 2.48124347994129 Angstroms
   sigma value = 145

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

Energy: 0.4447978282800483
Energy: 0.478360952187267
Energy: 0.4783596794383892
Energy: 0.30775497894394954
Energy: 0.4058587317805551
Energy: 0.40585853505406766
Energy: 0.3021227710086246
Energy: 0.37985479815839024
Energy: 0.3798548089592145
Energy: 0.3703497360245088
Energy: 0.3086450639310486
Energy: 0.308645061804118
Energy: 0.3021227697722432
Energy: 0.3077550118100051
Energy: 0.30775497914206346
Energy: 0.30212276606353256
Energy: 0.40586067682043425
Energy: 0.4058585824577468
Energy: 0.3077549771915661
Energy: 0.4801264836339719
Energy: 0.4801271042976895
Energy: 0.44479782818258123
Energy: 0.4113859116526963
Energy: 0.41138568641095175
Energy: 0.3836488340515867
Energy: 0.3130332297931088
Energy: 0.31303323158630036
Energy: 0.33764222230915536
Energy: 0.3012287038678708
Energy: 0.3012287046206268
   minimum gb energy = 0.3012287038678708 eV
   minimum distance = 2.56419905795548 Angstroms
   sigma value = 85

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

Energy: 0.5075602189243904
Energy: 0.4749854788445073
Energy: 0.47498435809959955
Energy: 0.29629524881708214
Energy: 0.5092099342525309
Energy: 0.5092098881624498
Energy: 0.29610777284640655
Energy: 0.47022835249668227
Energy: 0.47021789179694146
Energy: 0.3764935854391573
Energy: 0.4758247342378938
Energy: 0.47584429445014836
Energy: 0.3764935885344522
Energy: 0.3074830108114186
Energy: 0.30748313140783673
Energy: 0.2946614944582977
Energy: 0.3074830170413938
Energy: 0.30748303207505007
Energy: 0.308650490713771
Energy: 0.307483274786017
Energy: 0.30748303506946445
Energy: 0.5099053064289252
Energy: 0.3066278069855175
Energy: 0.30662784811271654
Energy: 0.3689653775908129
Energy: 0.3524102296669442
Energy: 0.3524102490212309
Energy: 0.2932950930443799
Energy: 0.3731970248158155
Energy: 0.37319589900965155
   minimum gb energy = 0.2932950930443799 eV
   minimum distance = 2.54143920371409 Angstroms
   sigma value = 197

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

Energy: 0.4484714157277472
Energy: 0.3063130958472089
Energy: 0.3063130958421528
Energy: 0.325951564913526
Energy: 0.44437379073095573
Energy: 0.444373790741068
Energy: 0.3031661462170365
Energy: 0.39346279348671664
Energy: 0.3934629144021301
Energy: 0.27527873364397554
Energy: 0.30073188439067733
Energy: 0.300731885073421
Energy: 0.34010753595264526
Energy: 0.4004456870674178
Energy: 0.4004453471624404
Energy: 0.30316614620830323
Energy: 0.2956664535222764
Energy: 0.2956664527798203
Energy: 0.4220863060205293
Energy: 0.453511041473647
Energy: 0.45350929867978057
Energy: 0.44847254814183096
Energy: 0.3741920736483629
Energy: 0.37419227668053273
Energy: 0.32595138930045753
Energy: 0.43044116154507434
Energy: 0.43044096566458073
Energy: 0.2862214423609071
Energy: 0.4443738165507554
Energy: 0.4443737732969023
   minimum gb energy = 0.27527873364397554 eV
   minimum distance = 2.56167726606363 Angstroms
   sigma value = 113

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

Energy: 0.4328716363373927
Energy: 0.42900569338477296
Energy: 0.4290088253853848
Energy: 0.4553823875004601
Energy: 0.2734015769227026
Energy: 0.27340157692310835
Energy: 0.2647134594537578
Energy: 0.3561419137670329
Energy: 0.35614098920997617
Energy: 0.26471345793684137
Energy: 0.4280474190923517
Energy: 0.42804756382957604
Energy: 0.25939042886841285
Energy: 0.3325172710065084
Energy: 0.33251727103448814
Energy: 0.26992978471813595
Energy: 0.4171532828961728
Energy: 0.4171506137025773
Energy: 0.41965849497055646
Energy: 0.2798432638319057
Energy: 0.2798432626143185
Energy: 0.4740493436008199
Energy: 0.43020274035642125
Energy: 0.43020221896233396
Energy: 0.36684194853807306
Energy: 0.43627682503660437
Energy: 0.4362249201980777
Energy: 0.3223255311651056
Energy: 0.3258546443410656
Energy: 0.3258546441228534
   minimum gb energy = 0.25939042886841285 eV
   minimum distance = 2.54713527520174 Angstroms
   sigma value = 145

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

Energy: 0.44486857686206277
Energy: 0.4076033464922629
Energy: 0.4076032589968936
Energy: 0.392946193835819
Energy: 0.39390729394389606
Energy: 0.3939138072972868
Energy: 0.2491764478435677
Energy: 0.26574813341108305
Energy: 0.2657481331961781
Energy: 0.2565538800041268
Energy: 0.4015766903438877
Energy: 0.4015658852044317
Energy: 0.24974586465404305
Energy: 0.4063572247991927
Energy: 0.4063712729902414
Energy: 0.3031063442267433
Energy: 0.35317216804660945
Energy: 0.35317217032240966
Energy: 0.2657481332452077
Energy: 0.3939162025622893
Energy: 0.39390499948011154
Energy: 0.44421596917583683
Energy: 0.39991116395414
Energy: 0.3999098628143154
Energy: 0.33724079569447785
Energy: 0.25598637967323973
Energy: 0.2559859923398031
Energy: 0.25655392302975527
Energy: 0.4140499860037426
Energy: 0.4140520122968879
   minimum gb energy = 0.2491764478435677 eV
   minimum distance = 2.62122775720056 Angstroms
   sigma value = 181

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

Energy: 0.419784846056394
Energy: 0.3897882121957619
Energy: 0.38978821782843176
Energy: 0.32445162436094893
Energy: 0.44668226621547336
Energy: 0.4466363383830286
Energy: 0.2423065795334023
Energy: 0.43004669577417426
Energy: 0.43004016119645033
Energy: 0.242306588451368
Energy: 0.378389479778072
Energy: 0.3783967771395399
Energy: 0.24230657795417387
Energy: 0.375696735217637
Energy: 0.3757067990512995
Energy: 0.24230657807999703
Energy: 0.3936586316241868
Energy: 0.39366712678656646
Energy: 0.324451618001935
Energy: 0.3881111572588462
Energy: 0.3880843873735454
Energy: 0.45015185988989265
Energy: 0.32390864257087126
Energy: 0.3239086424759137
Energy: 0.32445161804298966
Energy: 0.3832630361462527
Energy: 0.38325854436619555
Energy: 0.2368463238639197
Energy: 0.37569001179293654
Energy: 0.3756908942312652
   minimum gb energy = 0.2368463238639197 eV
   minimum distance = 2.55555226701383 Angstroms
   sigma value = 55

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

Energy: 0.3984933775396402
Energy: 0.37271999547757534
Energy: 0.37273819093696625
Energy: 0.31123627650568997
Energy: 0.3623435246945283
Energy: 0.3623446857929824
Energy: 0.4680395864992449
Energy: 0.2357418142657153
Energy: 0.23574183914026328
Energy: 0.22668052026294686
Energy: 0.3595588807712712
Energy: 0.3595565994446911
Energy: 0.23606514198286757
Energy: 0.3658552793737698
Energy: 0.3658546211048316
Energy: 0.23050153640033602
Energy: 0.3506862849761934
Energy: 0.35068959955308304
Energy: 0.3247851586245773
Energy: 0.23282549494621052
Energy: 0.23282553695932617
Energy: 0.46016044780975174
Energy: 0.37193667302279454
Energy: 0.37194175862236434
Energy: 0.3112362765366056
Energy: 0.40941810495905745
Energy: 0.4094157199435913
Energy: 0.23017817321376288
Energy: 0.3719408135238476
Energy: 0.3719408136147664
   minimum gb energy = 0.22668052026294686 eV
   minimum distance = 2.61224275908986 Angstroms
   sigma value = 265

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

Energy: 0.44299787362028437
Energy: 0.35855150737856795
Energy: 0.35854577028701273
Energy: 0.2607960509061453
Energy: 0.22736062637188745
Energy: 0.22736062646548727
Energy: 0.22487235458964439
Energy: 0.3553867394388
Energy: 0.3554072507193685
Energy: 0.21601814214830012
Energy: 0.3295959954631551
Energy: 0.32959604597529024
Energy: 0.22487214151048135
Energy: 0.3403571345869125
Energy: 0.3403574057195269
Energy: 0.22028146900288095
Energy: 0.3369334769167484
Energy: 0.33693347694160464
Energy: 0.2935236084727673
Energy: 0.34801120138881614
Energy: 0.3480149886190658
Energy: 0.43683857137478516
Energy: 0.34904914242471885
Energy: 0.34904938481208503
Energy: 0.35962636754175276
Energy: 0.35773231662619254
Energy: 0.35775313353438626
Energy: 0.2223431278377115
Energy: 0.34398004535444376
Energy: 0.34398021209078267
   minimum gb energy = 0.21601814214830012 eV
   minimum distance = 2.60349428390386 Angstroms
   sigma value = 39

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

Energy: 0.4217877942803564
Energy: 0.34534426075924096
Energy: 0.3453359102053639
Energy: 0.2836343704818146
Energy: 0.3279707551056163
Energy: 0.3279707253982074
Energy: 0.25105042694564794
Energy: 0.3296964599198297
Energy: 0.32969386735215256
Energy: 0.20818338532034175
Energy: 0.32631559234687596
Energy: 0.32631534247767013
Energy: 0.21199737389670165
Energy: 0.33137223560394924
Energy: 0.3313678809041487
Energy: 0.2154405128850863
Energy: 0.368675637408718
Energy: 0.36867568506595555
Energy: 0.28363450762095804
Energy: 0.32470494935249505
Energy: 0.32470494934045147
Energy: 0.30064972456617256
Energy: 0.32969501768531195
Energy: 0.32969422531999903
Energy: 0.2525241238159611
Energy: 0.21741996403756608
Energy: 0.2174199637808849
Energy: 0.2718894629362792
Energy: 0.31800094630072434
Energy: 0.3180010900841445
   minimum gb energy = 0.20818338532034175 eV
   minimum distance = 2.54733980196022 Angstroms
   sigma value = 91

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

Energy: 0.40330818840502747
Energy: 0.3333867913726294
Energy: 0.33338724721996205
Energy: 0.2748984553168915
Energy: 0.3137686776951544
Energy: 0.3137676076349267
Energy: 0.207217593001822
Energy: 0.32510002388064707
Energy: 0.3251145093563244
Energy: 0.20460571688638296
Energy: 0.3248736004439963
Energy: 0.3248736991047196
Energy: 0.2027332278262961
Energy: 0.3137672555231022
Energy: 0.31376814251508045
Energy: 0.32567932791490284
Energy: 0.2110431644017886
Energy: 0.21104316486359712
Energy: 0.21088051176976289
Energy: 0.2560730236314857
Energy: 0.2560730798492069
Energy: 0.267880506568331
Energy: 0.3262895982370197
Energy: 0.3262994542306566
Energy: 0.32693732470972686
Energy: 0.32001402704070747
Energy: 0.3200156396360873
Energy: 0.211043165127797
Energy: 0.34871401429043325
Energy: 0.3487140029031249
   minimum gb energy = 0.2027332278262961 eV
   minimum distance = 2.59801131069897 Angstroms
   sigma value = 105

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

Energy: 0.011661488267914905
Energy: 0.011661488263066115
Energy: 0.011661488267561552
Energy: 0.011661488264106543
Energy: 0.5367579396561559
Energy: 0.5367579396523672
Energy: 0.011661488266874477
Energy: 0.1741600471479768
Energy: 0.1741600471479768
Energy: 0.011661488259964459
Energy: 0.5367579396547817
Energy: 0.5367579396610048
Energy: 0.01166148825236737
Energy: 0.5367579396568626
Energy: 0.5367579397190135
Energy: 0.011661488251680292
Energy: 0.17416004712069008
Energy: 0.17416004712104347
Energy: 0.011661488260317815
Energy: 0.17416004712691302
Energy: 0.17416004715072514
Energy: 0.011661488253054441
Energy: 0.011661488252014013
Energy: 0.011661488253407798
Energy: 0.011661488254448226
Energy: 0.5367579396575497
Energy: 0.5367579396589238
Energy: 0.01166148825236737
Energy: 0.1741600471282872
Energy: 0.17416004712414512
   minimum gb energy = 0.011661488251680292 eV
   minimum distance = 2.83880213860524 Angstroms
   sigma value = 1