model_name=EAM_IMD_BrommerGaehler_2006B_AlNiCo__MO_128037485276_003
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=4.073718130588532
cohesive_energy=3.2103875034027074
mass=26.981538


Isolated atom energy: 0.143095413925774 eV

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

Energy: 0.009750789700438706
Energy: 0.009750789703347315
Energy: 0.00975078970381379
Energy: 0.009750789701893008
Energy: 0.009750789703347315
Energy: 0.009750789701893008
Energy: 0.0097507897028534
Energy: 0.00975078970381379
Energy: 0.0097507897028534
Energy: 0.00975078970477418
Energy: 0.0097507897028534
Energy: 0.00975078970381379
Energy: 0.009750789701399094
Energy: 0.00975078970381379
Energy: 0.009750789704307705
Energy: 73.2423837948942
Energy: 0.009750789703347315
Energy: 0.009750789701399094
Energy: 0.009750789701893008
Energy: 0.009750789701399094
Energy: 0.009750789701893008
Energy: 0.009750789705268095
Energy: 0.0097507897028534
Energy: 0.009750789700932619
Energy: 0.009750789702386926
Energy: 0.00975078970381379
Energy: 0.0097507897028534
Energy: 0.00975078970381379
Energy: 0.009750789701893008
Energy: 0.00975078970381379
   minimum gb energy = 0.009750789700438706 eV
   minimum distance = 2.88046160255976 Angstroms
   sigma value = 1

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

Energy: 0.35699865594020724
Energy: 0.2990086665236698
Energy: 0.2990109773191873
Energy: 0.32328832595395934
Energy: 0.29900791816128713
Energy: 0.299010736247804
Energy: 0.32478340091364505
Energy: 0.3025613726758109
Energy: 0.3025614581330531
Energy: 0.3304604393863896
Energy: 0.32484846973775616
Energy: 0.3248484672353943
Energy: 0.3314828118970729
Energy: 0.29900699358079136
Energy: 0.29900688908565254
Energy: 0.30144199202726446
Energy: 0.306339217781323
Energy: 0.3063391947257753
Energy: 0.3242974839043289
Energy: 0.29900997922716455
Energy: 0.2990076417103591
Energy: 0.32998342318674295
Energy: 0.32261226665962345
Energy: 0.3226111748715033
Energy: 0.33149297048613197
Energy: 0.2943174860884331
Energy: 0.2943172576755811
Energy: 0.3299832851273048
Energy: 0.3063392875667737
Energy: 0.3063392205331763
   minimum gb energy = 0.2943172576755811 eV
   minimum distance = 2.68945515592583 Angstroms
   sigma value = 113

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

Energy: 0.3685025519646189
Energy: 0.31206593090185863
Energy: 0.31206592138470685
Energy: 0.31118262124956747
Energy: 0.31441003388861705
Energy: 0.31440965654399616
Energy: 0.3270947106569881
Energy: 0.3120659504912568
Energy: 0.3120659607987598
Energy: 0.32903645194635145
Energy: 0.31441039094019685
Energy: 0.3144097556823159
Energy: 0.31322797482855413
Energy: 0.3120661198852798
Energy: 0.3120659731636094
Energy: 0.34568295495117835
Energy: 0.314409849802045
Energy: 0.3144096699299493
Energy: 0.3153175904127434
Energy: 0.3120661166403263
Energy: 0.3120667387357807
Energy: 0.3210807849075535
Energy: 0.3144099204157788
Energy: 0.31440972769214837
Energy: 0.33110745806282826
Energy: 0.31206601144610924
Energy: 0.31206592455812304
Energy: 0.3171131403349885
Energy: 0.3225854654766941
Energy: 0.32258532118385136
   minimum gb energy = 0.31118262124956747 eV
   minimum distance = 2.68591147739589 Angstroms
   sigma value = 197

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

Energy: 0.3810025288081631
Energy: 0.3189904935650385
Energy: 0.3189905943205665
Energy: 0.33676503002580443
Energy: 0.31899066512573887
Energy: 0.31899050457391825
Energy: 0.3479819124260269
Energy: 0.34414627048504853
Energy: 0.3441453993442822
Energy: 0.34338923808380606
Energy: 0.39757285641485696
Energy: 0.3975729366687623
Energy: 0.3515410161658342
Energy: 0.3261992750657025
Energy: 0.3261992764329735
Energy: 0.32138861744723807
Energy: 0.3275631169523431
Energy: 0.32756345015447186
Energy: 0.34203107958004925
Energy: 0.32619928812345156
Energy: 0.32619953785288913
Energy: 0.35156883082799173
Energy: 0.3221378549743052
Energy: 0.32213774587113436
Energy: 0.3593634114144798
Energy: 0.3465535527220301
Energy: 0.34655360643613053
Energy: 0.3366398576365903
Energy: 0.3275630035026615
Energy: 0.3275632655830292
   minimum gb energy = 0.3189904935650385 eV
   minimum distance = 2.68457064508725 Angstroms
   sigma value = 169

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

Energy: 0.39410112010014486
Energy: 0.33431244055785897
Energy: 0.33431243992848814
Energy: 0.3578082844076415
Energy: 0.4020812603634541
Energy: 0.40208122988609096
Energy: 0.354685028399315
Energy: 0.3310358963832161
Energy: 0.33103586890442493
Energy: 0.3576593566258552
Energy: 0.33431243809765404
Energy: 0.33431244259514736
Energy: 0.3673104907571191
Energy: 0.4032340956412788
Energy: 0.40323413104988054
Energy: 0.368183952396996
Energy: 0.3383055551215023
Energy: 0.3383069749245772
Energy: 0.3673104599654715
Energy: 0.3574981042429659
Energy: 0.3574985193026139
Energy: 0.34112620703829305
Energy: 0.33431272526266437
Energy: 0.33431248913260636
Energy: 0.36552267677643335
Energy: 0.3242714263175223
Energy: 0.3242714022209706
Energy: 0.3621489840051802
Energy: 0.36043294048524555
Energy: 0.3604325640168026
   minimum gb energy = 0.3242714022209706 eV
   minimum distance = 2.59978606640298 Angstroms
   sigma value = 145

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

Energy: 0.4153791746505949
Energy: 0.35810704266322674
Energy: 0.35810703878145794
Energy: 0.3867642014580769
Energy: 0.3477154163995307
Energy: 0.34771543363370017
Energy: 0.36780085581522953
Energy: 0.34318872817623935
Energy: 0.3431888073308589
Energy: 0.3635134375381001
Energy: 0.3581072186143943
Energy: 0.35810716355280836
Energy: 0.3839844161330235
Energy: 0.3731459405940544
Energy: 0.37314608486388157
Energy: 0.34736172004412397
Energy: 0.3572279043984955
Energy: 0.3572280395075692
Energy: 0.38398433029739404
Energy: 0.3607212806445207
Energy: 0.3607214485117785
Energy: 0.37818332226244533
Energy: 0.35316118351315323
Energy: 0.35316107465829305
Energy: 0.3576284747007642
Energy: 0.3456779332316884
Energy: 0.34567794297763754
Energy: 0.3867178133433086
Energy: 0.3761913652322166
Energy: 0.3761913605930421
   minimum gb energy = 0.34318872817623935 eV
   minimum distance = 2.57721497406655 Angstroms
   sigma value = 61

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

Energy: 0.4240750353567115
Energy: 0.3609627503323539
Energy: 0.36096275163741914
Energy: 0.38225623670019687
Energy: 0.3609627637613895
Energy: 0.3609627525173793
Energy: 0.39063063322500563
Energy: 0.36804495331207315
Energy: 0.3680448424238375
Energy: 0.37953387857187376
Energy: 0.3536675938609245
Energy: 0.35366732537918083
Energy: 0.3930955938262139
Energy: 0.3728502312507481
Energy: 0.37285023708433385
Energy: 0.3930955711705278
Energy: 0.3782612343030866
Energy: 0.3782614155643026
Energy: 0.3761519238626275
Energy: 0.37831001783103546
Energy: 0.37831002350612963
Energy: 0.387129383409188
Energy: 0.372850401703609
Energy: 0.37285027295722395
Energy: 0.3906310814212746
Energy: 0.3680448424531287
Energy: 0.3680448435050574
Energy: 0.39309599361303327
Energy: 0.36096275463370897
Energy: 0.3609627526902871
   minimum gb energy = 0.35366732537918083 eV
   minimum distance = 2.66578224771561 Angstroms
   sigma value = 101

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

Energy: 0.425353078228831
Energy: 0.38058044912491323
Energy: 0.38058028612287775
Energy: 0.4035970034518392
Energy: 0.3805806628068352
Energy: 0.3805804835698597
Energy: 0.38221708505786844
Energy: 0.380580341590398
Energy: 0.38058043419068444
Energy: 0.3800563565210886
Energy: 0.38058028888958
Energy: 0.38058034693025694
Energy: 0.38758530189619883
Energy: 0.3805803924494304
Energy: 0.3805803518356568
Energy: 0.3812537514326611
Energy: 0.3805919551930115
Energy: 0.38059164773110615
Energy: 0.4175143307261053
Energy: 0.38059142741869845
Energy: 0.3805909078180961
Energy: 0.38182771101044555
Energy: 0.3805913729827099
Energy: 0.3805907228110687
Energy: 0.39969298082936555
Energy: 0.38059128170446743
Energy: 0.38059157368040336
Energy: 0.412738007430196
Energy: 0.38059187297713093
Energy: 0.3805908354530139
   minimum gb energy = 0.3800563565210886 eV
   minimum distance = 2.65671730072008 Angstroms
   sigma value = 81

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

Energy: 0.4367150356953929
Energy: 0.399410330781466
Energy: 0.39941024699713706
Energy: 0.4140774769803932
Energy: 0.40849970859418544
Energy: 0.4084999515946846
Energy: 0.4252193172913208
Energy: 0.41306500308957816
Energy: 0.4130644022586558
Energy: 0.4330243400394957
Energy: 0.4112326525210931
Energy: 0.41123211675472043
Energy: 0.4195614526992559
Energy: 0.41596677810839744
Energy: 0.41596908811567973
Energy: 0.4195615612136055
Energy: 0.40734361822808673
Energy: 0.407343557870873
Energy: 0.43302447346226275
Energy: 0.41596026494440813
Energy: 0.4159642354625438
Energy: 0.41956211027632967
Energy: 0.4130644042902051
Energy: 0.4130645698901826
Energy: 0.41407747503387643
Energy: 0.4085000653175255
Energy: 0.40850005859658334
Energy: 0.43031088860119887
Energy: 0.3965071470254226
Energy: 0.3965071421695861
   minimum gb energy = 0.3965071421695861 eV
   minimum distance = 2.64477706888003 Angstroms
   sigma value = 1

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

Energy: 0.45527799508301003
Energy: 0.41393456942241785
Energy: 0.41393480724152243
Energy: 0.43238155361826974
Energy: 0.4220059409180005
Energy: 0.422003152038324
Energy: 0.4316333051091462
Energy: 0.41946661605787
Energy: 0.4194658544686114
Energy: 0.4154482056679964
Energy: 0.4139348492877075
Energy: 0.4139339816704774
Energy: 0.432525321446174
Energy: 0.4277634466215712
Energy: 0.42776227910720677
Energy: 0.43314362905962733
Energy: 0.4175635171355888
Energy: 0.41756367585327575
Energy: 0.43701167233091814
Energy: 0.41393465992304856
Energy: 0.4139340943134217
Energy: 0.43034224972817514
Energy: 0.4304333349360933
Energy: 0.4304345221626451
Energy: 0.403962102395994
Energy: 0.42125761177996307
Energy: 0.42125813654378763
Energy: 0.4373464420819603
Energy: 0.4162982894260654
Energy: 0.41629834115022335
   minimum gb energy = 0.403962102395994 eV
   minimum distance = 2.64284596326508 Angstroms
   sigma value = 229

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

Energy: 0.4534803078575722
Energy: 0.4173258444469599
Energy: 0.4173258732749978
Energy: 0.4402247540951069
Energy: 0.4280269634990828
Energy: 0.42802625603420213
Energy: 0.43797955665570265
Energy: 0.41732594719441285
Energy: 0.417325963431178
Energy: 0.4156298983351291
Energy: 0.41732598500576384
Energy: 0.4173259573396591
Energy: 0.4275993162992318
Energy: 0.4366428977218151
Energy: 0.4366434853928373
Energy: 0.41159425930732774
Energy: 0.4173257922673495
Energy: 0.41732575728908766
Energy: 0.4176060615714481
Energy: 0.424815447124601
Energy: 0.42481534647705943
Energy: 0.407312700797819
Energy: 0.41732567011072597
Energy: 0.41732566500294505
Energy: 0.43797954671525685
Energy: 0.428560125482753
Energy: 0.42856052568969566
Energy: 0.4402239521288109
Energy: 0.41746056004191345
Energy: 0.41746039747228647
   minimum gb energy = 0.407312700797819 eV
   minimum distance = 2.6367442233264 Angstroms
   sigma value = 25

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

Energy: 0.47200002337319674
Energy: 0.43700584546858406
Energy: 0.4370058882206848
Energy: 0.41922529807224423
Energy: 0.44371221517994797
Energy: 0.4437125917223739
Energy: 0.427928156249642
Energy: 0.4411653428637475
Energy: 0.44116621995021627
Energy: 0.42440888686395845
Energy: 0.4449978715347952
Energy: 0.44499389659397
Energy: 0.4435481243566197
Energy: 0.43590645236862796
Energy: 0.43590640861972285
Energy: 0.4555381619421835
Energy: 0.44371518244749664
Energy: 0.44371245177722807
Energy: 0.4448725004355354
Energy: 0.43590636614764044
Energy: 0.43590627860433434
Energy: 0.43914728643386275
Energy: 0.4422487825701402
Energy: 0.44231495366814017
Energy: 0.4376638129890009
Energy: 0.43850874155517655
Energy: 0.43850790911200965
Energy: 0.44179362922510995
Energy: 0.4437802394342262
Energy: 0.4437804568193154
   minimum gb energy = 0.41922529807224423 eV
   minimum distance = 2.6168746050026 Angstroms
   sigma value = 173

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

Energy: 0.45500950232382165
Energy: 0.44394423700323515
Energy: 0.4439437785779699
Energy: 0.46143692832953564
Energy: 0.4361864219881138
Energy: 0.43618643464198237
Energy: 0.48599999112331616
Energy: 0.4550871086689372
Energy: 0.45504767597440654
Energy: 0.477928815880015
Energy: 0.443936659619579
Energy: 0.44393622028106333
Energy: 0.4361864217452744
Energy: 0.44582251384846733
Energy: 0.445826613485574
Energy: 0.4361864215183138
Energy: 0.43618742652841686
Energy: 0.4361873681119469
Energy: 0.45392954420179843
Energy: 0.4458197075366084
Energy: 0.44582225059818426
Energy: 0.4344155486197887
Energy: 0.4391791975912695
Energy: 0.4391793068271318
Energy: 0.4712333887931548
Energy: 0.4361864208588328
Energy: 0.4361864254116842
Energy: 0.43618642112467865
Energy: 0.43917919792934645
Energy: 0.43917923881769244
   minimum gb energy = 0.4344155486197887 eV
   minimum distance = 2.55277992637736 Angstroms
   sigma value = 9

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

Energy: 0.4860325217514455
Energy: 0.46528596431680885
Energy: 0.4655432872019395
Energy: 0.4544279808623347
Energy: 0.46354590084101677
Energy: 0.46354621628412906
Energy: 0.46055335910767037
Energy: 0.45235053923908014
Energy: 0.45235043069457065
Energy: 0.48659091266394294
Energy: 0.46900167953467725
Energy: 0.4690017873011596
Energy: 0.45223215603748607
Energy: 0.4523504433805996
Energy: 0.4523504311431742
Energy: 0.47687584523993726
Energy: 0.4522322160675072
Energy: 0.45223280863227105
Energy: 0.44773013210586615
Energy: 0.4625717794276728
Energy: 0.46257233514672613
Energy: 0.4902227530992905
Energy: 0.4477309965170076
Energy: 0.44773063178222383
Energy: 0.45223215845536663
Energy: 0.4593766674187513
Energy: 0.4593766905136867
Energy: 0.49745319108501107
Energy: 0.45602098515339423
Energy: 0.4560210263067828
   minimum gb energy = 0.44773013210586615 eV
   minimum distance = 2.54401782688539 Angstroms
   sigma value = 31

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

Energy: 0.46676974338499744
Energy: 0.4539008764327592
Energy: 0.45390087209877583
Energy: 0.46581426466277587
Energy: 0.45562447990894095
Energy: 0.45562447168780007
Energy: 0.5172819667155832
Energy: 0.46874243092818574
Energy: 0.46874236610852604
Energy: 0.459141032627604
Energy: 0.4462768600174409
Energy: 0.4462768594285898
Energy: 0.4591410325206223
Energy: 0.4687425859788092
Energy: 0.46874233828877904
Energy: 0.44420975046936007
Energy: 0.45562447010681806
Energy: 0.45562451731026077
Energy: 0.43006090468461383
Energy: 0.45562447031412995
Energy: 0.4556244711235741
Energy: 0.4300608947575139
Energy: 0.4442144861785236
Energy: 0.44421408564935494
Energy: 0.4640875778888868
Energy: 0.47100218206091365
Energy: 0.47100229092203055
Energy: 0.4640875627132935
Energy: 0.4710027302233262
Energy: 0.47100222481202586
   minimum gb energy = 0.4300608947575139 eV
   minimum distance = 2.57022780397311 Angstroms
   sigma value = 25

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

Energy: 0.4920719132481524
Energy: 0.4723012720782801
Energy: 0.47230331264688646
Energy: 0.46344193776073844
Energy: 0.4582796969905394
Energy: 0.4582797601315661
Energy: 0.46344559674469127
Energy: 0.4582796854613774
Energy: 0.458279696631837
Energy: 0.4704879643368399
Energy: 0.4722994102450923
Energy: 0.47229892694507153
Energy: 0.4634419976067815
Energy: 0.4580350723401516
Energy: 0.4580350181673274
Energy: 0.4634434603137258
Energy: 0.4666100589930171
Energy: 0.4666063519514129
Energy: 0.45620821935730355
Energy: 0.4722989389512972
Energy: 0.4722993627417461
Energy: 0.46768703694125774
Energy: 0.4594634575820457
Energy: 0.4594627567104385
Energy: 0.46344418212133975
Energy: 0.4624462544565193
Energy: 0.46244686545960456
Energy: 0.44518096357137765
Energy: 0.47230380692210133
Energy: 0.47230054607589084
   minimum gb energy = 0.44518096357137765 eV
   minimum distance = 2.57836632091526 Angstroms
   sigma value = 205

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

Energy: 0.4890503678732651
Energy: 0.47208349287931434
Energy: 0.4720837401040734
Energy: 0.48118485887456963
Energy: 0.4890216922656081
Energy: 0.48902266496010416
Energy: 0.4685731006384434
Energy: 0.48643312434047153
Energy: 0.4864332119441223
Energy: 0.46325344517053646
Energy: 0.4631789872222882
Energy: 0.4631782660135
Energy: 0.4762001061672784
Energy: 0.4781347061441344
Energy: 0.47813468888195265
Energy: 0.528622117948964
Energy: 0.46325637532118985
Energy: 0.4632564613660926
Energy: 0.4685052472028333
Energy: 0.4635123042878098
Energy: 0.463511756463141
Energy: 0.45096186081359874
Energy: 0.4635114485759788
Energy: 0.4635127066800096
Energy: 0.4888469357052929
Energy: 0.46325671176225336
Energy: 0.4632554125345264
Energy: 0.47218766032117815
Energy: 0.46132804248765047
Energy: 0.4613284628813813
   minimum gb energy = 0.45096186081359874 eV
   minimum distance = 2.53943712785171 Angstroms
   sigma value = 85

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

Energy: 0.49430052030865596
Energy: 0.4698650310576379
Energy: 0.4698651096099973
Energy: 0.45534894372863416
Energy: 0.4695974995395767
Energy: 0.46959702762016003
Energy: 0.46868025588423806
Energy: 0.47327206879136835
Energy: 0.47326773442243397
Energy: 0.45534880366044445
Energy: 0.4592843927974201
Energy: 0.4592864546394678
Energy: 0.4669686460873017
Energy: 0.49278873352560154
Energy: 0.49278776864926327
Energy: 0.48500306613324956
Energy: 0.47022057829744185
Energy: 0.4702207400420938
Energy: 0.5016491747046934
Energy: 0.461881503535173
Energy: 0.46188112917617474
Energy: 0.4884866277366547
Energy: 0.49425547494553934
Energy: 0.4942558078978047
Energy: 0.5040165085999727
Energy: 0.46857223123717523
Energy: 0.4685720826188998
Energy: 0.4439079784142472
Energy: 0.47326692088450445
Energy: 0.47326920339026984
   minimum gb energy = 0.4439079784142472 eV
   minimum distance = 2.5248332873636 Angstroms
   sigma value = 89

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

Energy: 0.4536706061357925
Energy: 0.48733303385513776
Energy: 0.48733303264688965
Energy: 0.510625593887223
Energy: 0.4344061494800856
Energy: 0.4344061497657494
Energy: 0.5900241914800612
Energy: 0.48652769264060736
Energy: 0.48652777277925807
Energy: 0.43440616672682386
Energy: 0.4412642199390599
Energy: 0.44126421683767325
Energy: 0.510722282312625
Energy: 0.4888218518582313
Energy: 0.4888221245267789
Energy: 0.4344061525358182
Energy: 0.455255639212618
Energy: 0.4552556386881157
Energy: 0.5148544618674831
Energy: 0.4865275487425108
Energy: 0.48652761632691316
Energy: 0.4344061589142331
Energy: 0.4552556429930652
Energy: 0.45525564831310517
Energy: 0.4344061625541778
Energy: 0.45140295379700457
Energy: 0.45140295181838774
Energy: 0.44126443741826343
Energy: 0.43440615262949556
Energy: 0.43440616538981275
   minimum gb energy = 0.4344061494800856 eV
   minimum distance = 2.62365884007403 Angstroms
   sigma value = 17

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

Energy: 0.49305471513582627
Energy: 0.46696061915582915
Energy: 0.4669601822446804
Energy: 0.45143876084690965
Energy: 0.4973321270782896
Energy: 0.49732529299494943
Energy: 0.48404052163073263
Energy: 0.483641887871287
Energy: 0.48364273512474787
Energy: 0.46772008366315837
Energy: 0.4726436972870291
Energy: 0.47264521054547187
Energy: 0.47326547001859914
Energy: 0.49863957914212365
Energy: 0.49863617065966676
Energy: 0.5081345902707863
Energy: 0.4906126067402766
Energy: 0.4906224941487356
Energy: 0.4627112318895461
Energy: 0.4701338984704652
Energy: 0.47013388446000914
Energy: 0.44626201717119707
Energy: 0.4580994703546897
Energy: 0.4581001201600588
Energy: 0.5088859465487084
Energy: 0.48688476583975976
Energy: 0.48688455459419433
Energy: 0.47011824422620263
Energy: 0.47264376009493936
Energy: 0.47264416504382845
   minimum gb energy = 0.44626201717119707 eV
   minimum distance = 2.54631114984173 Angstroms
   sigma value = 241

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

Energy: 0.45498499339930604
Energy: 0.46061419318420466
Energy: 0.4606142259371165
Energy: 0.4648635925933631
Energy: 0.4925666952720558
Energy: 0.49256364070690445
Energy: 0.5390482153533183
Energy: 0.47655196771636327
Energy: 0.47655195185283544
Energy: 0.4648635895014314
Energy: 0.46061431523122354
Energy: 0.4606145160564705
Energy: 0.45498492439768123
Energy: 0.4606144628066099
Energy: 0.46061415210898243
Energy: 0.47607890609140485
Energy: 0.5233192887127455
Energy: 0.5233138110532806
Energy: 0.48052690142122934
Energy: 0.4898913007949819
Energy: 0.4898920218579243
Energy: 0.46486347468783257
Energy: 0.4606142105270155
Energy: 0.4606140914118975
Energy: 0.45498600643730064
Energy: 0.49256370919878745
Energy: 0.49256375974115996
Energy: 0.5387800916396209
Energy: 0.4535422208775608
Energy: 0.45354289022369937
   minimum gb energy = 0.4535422208775608 eV
   minimum distance = 2.52892998128145 Angstroms
   sigma value = 65

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

Energy: 0.44947484570302615
Energy: 0.45305384284855793
Energy: 0.45305380980962306
Energy: 0.4424475292449186
Energy: 0.46786254929022214
Energy: 0.46786254285112355
Energy: 0.4424475568711957
Energy: 0.48027698637403
Energy: 0.48027652299068635
Energy: 0.48619180343461926
Energy: 0.4622890260733824
Energy: 0.4622886495559206
Energy: 0.4858936103544272
Energy: 0.4494750777023498
Energy: 0.44947446123597756
Energy: 0.5624575109616975
Energy: 0.502418465142215
Energy: 0.5024184826837963
Energy: 0.4424476806861726
Energy: 0.48027669151733576
Energy: 0.4802769632632663
Energy: 0.47965306592649465
Energy: 0.4817447642856559
Energy: 0.4817446550078682
Energy: 0.44947539918806845
Energy: 0.45995318857528306
Energy: 0.4599533377043993
Energy: 0.44244754136524844
Energy: 0.49989810897588566
Energy: 0.4998981760026426
   minimum gb energy = 0.4424475292449186 eV
   minimum distance = 2.56332167108089 Angstroms
   sigma value = 53

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

Energy: 0.47560762609944196
Energy: 0.46486354595340756
Energy: 0.4648604962315071
Energy: 0.5172998524853902
Energy: 0.4776386325456828
Energy: 0.4776388896287032
Energy: 0.47403244599131916
Energy: 0.474890803078688
Energy: 0.47489080254975835
Energy: 0.4367858331999334
Energy: 0.5034815731656352
Energy: 0.5034827963351468
Energy: 0.5879067738893755
Energy: 0.470610413535757
Energy: 0.47061114689067896
Energy: 0.4368364235649573
Energy: 0.4984240311251693
Energy: 0.49842403046583655
Energy: 0.4740324456440751
Energy: 0.4748908140797761
Energy: 0.47489080291178376
Energy: 0.48175257943263206
Energy: 0.4776381344741482
Energy: 0.47763876248770215
Energy: 0.47561631918661595
Energy: 0.4489732293469649
Energy: 0.44897315544280403
Energy: 0.5448034367719157
Energy: 0.4806416750448776
Energy: 0.4806416810856843
   minimum gb energy = 0.4367858331999334 eV
   minimum distance = 2.54192299253588 Angstroms
   sigma value = 109

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

Energy: 0.4984667887329345
Energy: 0.4706018757766101
Energy: 0.4706017698240012
Energy: 0.4635982674066366
Energy: 0.47631219717787554
Energy: 0.4763121984746976
Energy: 0.4570099220070677
Energy: 0.4813340011499829
Energy: 0.4813355190163942
Energy: 0.46483204187012755
Energy: 0.46064289302585054
Energy: 0.46064293028178754
Energy: 0.5754763911974984
Energy: 0.46639581409851355
Energy: 0.46639593952126995
Energy: 0.46483204185485977
Energy: 0.4606429669613269
Energy: 0.4606430233168539
Energy: 0.45700992203227725
Energy: 0.48133535849164677
Energy: 0.48133473279711925
Energy: 0.4635968957402481
Energy: 0.47631219670476926
Energy: 0.4763121972914314
Energy: 0.49846678669151145
Energy: 0.4706017840333625
Energy: 0.4706018571241422
Energy: 0.46359847039058694
Energy: 0.4763122001502112
Energy: 0.47631219735460045
   minimum gb energy = 0.4570099220070677 eV
   minimum distance = 2.52544738140828 Angstroms
   sigma value = 185

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

Energy: 0.40980714458947864
Energy: 0.409807144682585
Energy: 0.4098071459694483
Energy: 0.5066355740864443
Energy: 0.4193311917041436
Energy: 0.4193311917255243
Energy: 0.4183182715586661
Energy: 0.44354606906983246
Energy: 0.4435460878126166
Energy: 0.49920276710128897
Energy: 0.4193311927482884
Energy: 0.41933119188580953
Energy: 0.40980714571756655
Energy: 0.40980717280852763
Energy: 0.4098071453069268
Energy: 0.5066355797268839
Energy: 0.41933119151945814
Energy: 0.4193311918659561
Energy: 0.41831827190823573
Energy: 0.4435460687542948
Energy: 0.44354606889627113
Energy: 0.49920287112524936
Energy: 0.4358017053121851
Energy: 0.43580170556406683
Energy: 0.4098071446612217
Energy: 0.4098071446612217
Energy: 0.40980714651135675
Energy: 0.5066358425611976
Energy: 0.43580170524502354
Energy: 0.4358017107358682
   minimum gb energy = 0.40980714458947864 eV
   minimum distance = 2.60142388919011 Angstroms
   sigma value = 9

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

Energy: 0.498259863520302
Energy: 0.4723576782658629
Energy: 0.4723577842689709
Energy: 0.562402362941232
Energy: 0.47029462334896
Energy: 0.4702947358252555
Energy: 0.47195867111363243
Energy: 0.49036905297895456
Energy: 0.49036346709889306
Energy: 0.4812833054152502
Energy: 0.49339832706979825
Energy: 0.49339778822624997
Energy: 0.4807242277831513
Energy: 0.47855767967412954
Energy: 0.47855635558338283
Energy: 0.47257823979470576
Energy: 0.4880641600861486
Energy: 0.48806411637096525
Energy: 0.5800424903365589
Energy: 0.492268473403873
Energy: 0.49226951138925296
Energy: 0.49472429954655167
Energy: 0.5073920596119929
Energy: 0.5073980717319915
Energy: 0.5920871362205671
Energy: 0.4842045610014555
Energy: 0.4842084698940348
Energy: 0.4798156161860845
Energy: 0.4747056644137578
Energy: 0.4747083858043449
   minimum gb energy = 0.47029462334896 eV
   minimum distance = 2.5197563496473 Angstroms
   sigma value = 221

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

Energy: 0.49644135325140754
Energy: 0.4935933170201833
Energy: 0.4935811599329955
Energy: 0.4486109716289113
Energy: 0.4748419908024618
Energy: 0.47484187607109535
Energy: 0.4429101178028842
Energy: 0.4763661104198092
Energy: 0.47636599706511
Energy: 0.45165540637775214
Energy: 0.47709591349479297
Energy: 0.47709591996563916
Energy: 0.49441338056342904
Energy: 0.4964381520170554
Energy: 0.4964402717607571
Energy: 0.5545857262627356
Energy: 0.4914002536448396
Energy: 0.49140027288295973
Energy: 0.6145538400778133
Energy: 0.4429096153325431
Energy: 0.44290770873584306
Energy: 0.5527698136407032
Energy: 0.44057057367814256
Energy: 0.44057063388394746
Energy: 0.54408381001034
Energy: 0.47637236586638193
Energy: 0.47636612468498063
Energy: 0.5218481304852025
Energy: 0.4833561357195016
Energy: 0.4833559005930294
   minimum gb energy = 0.44057057367814256 eV
   minimum distance = 2.57026886330015 Angstroms
   sigma value = 137

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

Energy: 0.45871635499154345
Energy: 0.5208361299003136
Energy: 0.5208365464771469
Energy: 0.5976225155556744
Energy: 0.46783356643311796
Energy: 0.46783341143532203
Energy: 0.522646540786448
Energy: 0.5271753259443989
Energy: 0.5271791511401687
Energy: 0.4524769219309736
Energy: 0.4999196242796912
Energy: 0.499919372103684
Energy: 0.5226465247447832
Energy: 0.5200428199766253
Energy: 0.5200429501381784
Energy: 0.4663010518962529
Energy: 0.47743273750424664
Energy: 0.4774313362054249
Energy: 0.4599542705546361
Energy: 0.5404928044429561
Energy: 0.5404912377460757
Energy: 0.46630102244294647
Energy: 0.49187822320086794
Energy: 0.49188173138452457
Energy: 0.5288259915304885
Energy: 0.4728952529273941
Energy: 0.47289695312319396
Energy: 0.4524769776679927
Energy: 0.47289594699048043
Energy: 0.4728962020416956
   minimum gb energy = 0.4524769219309736 eV
   minimum distance = 2.56401776169986 Angstroms
   sigma value = 73

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

Energy: 0.5013304925456229
Energy: 0.4997547786281368
Energy: 0.49975725046954844
Energy: 0.48347977628450495
Energy: 0.4897327227380272
Energy: 0.4897471955261096
Energy: 0.4801096721137656
Energy: 0.4835441810367632
Energy: 0.4835436427484193
Energy: 0.45425573616345916
Energy: 0.4997550219695488
Energy: 0.49976039143627327
Energy: 0.5008438423082986
Energy: 0.484010987989398
Energy: 0.4840042876645818
Energy: 0.45794702258805714
Energy: 0.46213564848161326
Energy: 0.46213571588024105
Energy: 0.4597265420132703
Energy: 0.5150986468474907
Energy: 0.5151023021468615
Energy: 0.47422287536486485
Energy: 0.47835531507047563
Energy: 0.4783554688653172
Energy: 0.47665284928033347
Energy: 0.4621356512919855
Energy: 0.46213568167422864
Energy: 0.45972655377293153
Energy: 0.4985845542144528
Energy: 0.49858351563810605
   minimum gb energy = 0.45425573616345916 eV
   minimum distance = 2.51738252676671 Angstroms
   sigma value = 97

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

Energy: 0.45187998961188885
Energy: 0.4758191462247805
Energy: 0.47582009536658704
Energy: 0.4721986673899836
Energy: 0.461391162045303
Energy: 0.4613911030121769
Energy: 0.4518799813515909
Energy: 0.4767753388667646
Energy: 0.4767745780131186
Energy: 0.44929307949762665
Energy: 0.4546374952926543
Energy: 0.4546379523941218
Energy: 0.5839686998258543
Energy: 0.45188265322578597
Energy: 0.45188001076954726
Energy: 0.5160685960377231
Energy: 0.47581905715788514
Energy: 0.47581884900913757
Energy: 0.5285049307174289
Energy: 0.4550406987091957
Energy: 0.45504108778131697
Energy: 0.5370707370694311
Energy: 0.45188009222065495
Energy: 0.4518800009629707
Energy: 0.45187999446766736
Energy: 0.492535576050664
Energy: 0.4925419793814606
Energy: 0.4706899823258765
Energy: 0.4758188238625143
Energy: 0.475818894697586
   minimum gb energy = 0.44929307949762665 eV
   minimum distance = 2.56575308732912 Angstroms
   sigma value = 7

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

Energy: 0.46738777918825913
Energy: 0.46898411340629764
Energy: 0.46898745095804645
Energy: 0.4609861849477752
Energy: 0.47134159010812277
Energy: 0.47134079308164994
Energy: 0.5412628453069973
Energy: 0.46890192582396595
Energy: 0.4689019483118653
Energy: 0.4590215817990003
Energy: 0.4861603513938517
Energy: 0.48616056607408714
Energy: 0.4609892953334597
Energy: 0.4901592222493358
Energy: 0.49016024381400963
Energy: 0.46890114306202324
Energy: 0.5094923211319218
Energy: 0.509499629248435
Energy: 0.4605532699025342
Energy: 0.461970802640678
Energy: 0.4619707807290632
Energy: 0.6075276386218051
Energy: 0.4653249749353275
Energy: 0.46532073980746413
Energy: 0.4605532621117498
Energy: 0.4869842146291424
Energy: 0.48698178938328057
Energy: 0.4609871244499798
Energy: 0.4845519192964379
Energy: 0.4845520337808942
   minimum gb energy = 0.4590215817990003 eV
   minimum distance = 2.56799587089597 Angstroms
   sigma value = 169

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

Energy: 0.4641140347411863
Energy: 0.47044845087022347
Energy: 0.47044744581681475
Energy: 0.4636051426568216
Energy: 0.4607448031438273
Energy: 0.46074542566783766
Energy: 0.5092394473794614
Energy: 0.4761530733552493
Energy: 0.4761532239810719
Energy: 0.46018398116113785
Energy: 0.4682399373324436
Energy: 0.4682359431725825
Energy: 0.4641136362255176
Energy: 0.47849859947513823
Energy: 0.47849722128281463
Energy: 0.5154593718572049
Energy: 0.46686356684983976
Energy: 0.46686141716394397
Energy: 0.46419389696952
Energy: 0.4704472565630278
Energy: 0.4704476206093849
Energy: 0.464193811935585
Energy: 0.5035305599916385
Energy: 0.5035306276568425
Energy: 0.5767482754636547
Energy: 0.46074524669822514
Energy: 0.4607448033187607
Energy: 0.4601838587834091
Energy: 0.48147043026690706
Energy: 0.48146772968125073
   minimum gb energy = 0.4601838587834091 eV
   minimum distance = 2.55837828486561 Angstroms
   sigma value = 29

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

Energy: 0.46909535600763735
Energy: 0.4747434692718229
Energy: 0.4747448216708486
Energy: 0.4650956012384247
Energy: 0.48288446460888373
Energy: 0.4828845760331639
Energy: 0.5220107295731672
Energy: 0.464538750024609
Energy: 0.46454174756074446
Energy: 0.46689683313786945
Energy: 0.4869239515125851
Energy: 0.48692370324672246
Energy: 0.4645392902942341
Energy: 0.5270545206675689
Energy: 0.527054378506623
Energy: 0.496180584822684
Energy: 0.4685912412822986
Energy: 0.46859187744734826
Energy: 0.46678495785856
Energy: 0.4759919328805289
Energy: 0.47599191987679845
Energy: 0.46454122188723984
Energy: 0.4753046577995425
Energy: 0.47530391960460905
Energy: 0.4665739103912855
Energy: 0.5092090148220483
Energy: 0.5092114024730515
Energy: 0.5276938602451122
Energy: 0.50821092647042
Energy: 0.5082106295736759
   minimum gb energy = 0.464538750024609 eV
   minimum distance = 2.52050716418462 Angstroms
   sigma value = 97

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

Energy: 0.46819167940577494
Energy: 0.4708777197085148
Energy: 0.4708773480000671
Energy: 0.46584440790476583
Energy: 0.4999097720449597
Energy: 0.49991002398280604
Energy: 0.47122220367003875
Energy: 0.4865612135691918
Energy: 0.4865647389333324
Energy: 0.4678778847539175
Energy: 0.4871274523672469
Energy: 0.48712871279120545
Energy: 0.5533482957054031
Energy: 0.4566769773631966
Energy: 0.45667687053458855
Energy: 0.49322175627032533
Energy: 0.4617950757709876
Energy: 0.46179495761239914
Energy: 0.4558025753150682
Energy: 0.4617947345779816
Energy: 0.4617962013242446
Energy: 0.45580254504931955
Energy: 0.45889965832109086
Energy: 0.45890038551606627
Energy: 0.46223963633684817
Energy: 0.46179455100912753
Energy: 0.4617947881992306
Energy: 0.4558016921251217
Energy: 0.4781943358280413
Energy: 0.4781937841902357
   minimum gb energy = 0.4558016921251217 eV
   minimum distance = 2.55987211620499 Angstroms
   sigma value = 73

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

Energy: 0.4657589423342977
Energy: 0.4705391885166316
Energy: 0.47053358759611763
Energy: 0.46816773680061313
Energy: 0.45817089612268347
Energy: 0.4581736310117497
Energy: 0.45929136909263196
Energy: 0.47523026431926974
Energy: 0.4752327166481204
Energy: 0.5673489514796017
Energy: 0.4570355460791328
Energy: 0.45704092006975594
Energy: 0.465281321362534
Energy: 0.45887307843623637
Energy: 0.45887044664980947
Energy: 0.4967205239840599
Energy: 0.4567806346495477
Energy: 0.4567806572392098
Energy: 0.46095808545971967
Energy: 0.5001364600054309
Energy: 0.5001221488769867
Energy: 0.4588491593306553
Energy: 0.45982172808528887
Energy: 0.4598204525175111
Energy: 0.4556024129215161
Energy: 0.4593964179118581
Energy: 0.45939671730695164
Energy: 0.46052492368893977
Energy: 0.4755718298164677
Energy: 0.4755718026519862
   minimum gb energy = 0.4556024129215161 eV
   minimum distance = 2.55192744341505 Angstroms
   sigma value = 205

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

Energy: 0.46431689396324155
Energy: 0.4700381993354439
Energy: 0.470042983263193
Energy: 0.4614047618447506
Energy: 0.47003941240723435
Energy: 0.4700383490974805
Energy: 0.46716006639305324
Energy: 0.4748949719294762
Energy: 0.4748898204425126
Energy: 0.4558577798323655
Energy: 0.48252196595702634
Energy: 0.48252072873057084
Energy: 0.45717615340484824
Energy: 0.4589575579403475
Energy: 0.4589598078371463
Energy: 0.4695436669822438
Energy: 0.45895729018556164
Energy: 0.45895860762364765
Energy: 0.48989776446261535
Energy: 0.458957792546751
Energy: 0.45895728879946457
Energy: 0.49584280546238313
Energy: 0.4605820322221133
Energy: 0.4605840164454468
Energy: 0.4597714381634159
Energy: 0.4605816004089697
Energy: 0.4605819072735224
Energy: 0.4590429018162737
Energy: 0.45705568209943204
Energy: 0.4570529860929034
   minimum gb energy = 0.4558577798323655 eV
   minimum distance = 2.55389289451916 Angstroms
   sigma value = 137

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

Energy: 0.43785251862789837
Energy: 0.4485183616517656
Energy: 0.44851836148445723
Energy: 0.4170817293778489
Energy: 0.43785249847347807
Energy: 0.437852497908085
Energy: 0.4309190754362772
Energy: 0.4380942107424305
Energy: 0.43809420857583903
Energy: 0.4378525079897128
Energy: 0.4171163875908221
Energy: 0.4171163882835924
Energy: 0.4378524978294989
Energy: 0.4378524981632568
Energy: 0.4378524978303579
Energy: 0.43785250034516293
Energy: 0.4380942074562935
Energy: 0.4380942062834165
Energy: 0.417116387339749
Energy: 0.44118293345379733
Energy: 0.44118293254257135
Energy: 0.4378526057283211
Energy: 0.43785249783079966
Energy: 0.4378525016577132
Energy: 0.4979585817304442
Energy: 0.4378524978312169
Energy: 0.4378524978294989
Energy: 0.41711651713084436
Energy: 0.44118293439049877
Energy: 0.44118293262611513
   minimum gb energy = 0.4170817293778489 eV
   minimum distance = 2.59561639323917 Angstroms
   sigma value = 5

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

Energy: 0.45223255589403444
Energy: 0.46277942673249495
Energy: 0.46278222724401946
Energy: 0.44577459987834805
Energy: 0.4645441585288887
Energy: 0.46454459411051896
Energy: 0.4418678095972754
Energy: 0.4706925048793444
Energy: 0.47069126034341846
Energy: 0.44108916059254133
Energy: 0.44219756917647035
Energy: 0.44220115286709066
Energy: 0.4626544389847071
Energy: 0.4415815513059602
Energy: 0.44158117445739997
Energy: 0.4965474617829361
Energy: 0.4416938944661679
Energy: 0.4416938957172638
Energy: 0.440228065512462
Energy: 0.4491130376872301
Energy: 0.44911255400124084
Energy: 0.44384398541951153
Energy: 0.447000277765416
Energy: 0.4470004588970083
Energy: 0.44927976455734836
Energy: 0.4524644502038561
Energy: 0.452464827604697
Energy: 0.454995016165057
Energy: 0.4780587103963804
Energy: 0.47805917136166837
   minimum gb energy = 0.440228065512462 eV
   minimum distance = 2.57291926058229 Angstroms
   sigma value = 289

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

Energy: 0.4479672687842589
Energy: 0.4657061381435565
Energy: 0.4657071560663153
Energy: 0.4397588284660616
Energy: 0.4418732781748074
Energy: 0.4418768671427103
Energy: 0.4665392350203225
Energy: 0.43959576297818365
Energy: 0.43959591829277717
Energy: 0.4511968388622643
Energy: 0.4474805907977797
Energy: 0.44747684059892423
Energy: 0.442048972870277
Energy: 0.4498720898569015
Energy: 0.4498744485006892
Energy: 0.48424991714347326
Energy: 0.46270789939809426
Energy: 0.4627014977560723
Energy: 0.4381523151885417
Energy: 0.4809341366564878
Energy: 0.4809346113796543
Energy: 0.4409767529864703
Energy: 0.4702176062257394
Energy: 0.4702209058029316
Energy: 0.47189560985758
Energy: 0.44285528597974017
Energy: 0.4428626405048928
Energy: 0.4679485819787828
Energy: 0.44049771345634753
Energy: 0.4404979261470276
   minimum gb energy = 0.4381523151885417 eV
   minimum distance = 2.56757281148667 Angstroms
   sigma value = 109

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

Energy: 0.4469490341044779
Energy: 0.46643968233775707
Energy: 0.4664395365268002
Energy: 0.4365463779477232
Energy: 0.460304556420072
Energy: 0.46030455732927733
Energy: 0.44129163428143986
Energy: 0.43783185311176315
Energy: 0.43783160037143265
Energy: 0.4402352742620191
Energy: 0.4702590433946158
Energy: 0.47026008029370103
Energy: 0.454842136796771
Energy: 0.4683814230783073
Energy: 0.4683772110644103
Energy: 0.47932518881265934
Energy: 0.4362947000471484
Energy: 0.43629493647227424
Energy: 0.4445411725233607
Energy: 0.44789376199565667
Energy: 0.4478933194458014
Energy: 0.437742141255239
Energy: 0.4512647399947212
Energy: 0.45125907629767587
Energy: 0.4407207577023302
Energy: 0.4402297990299531
Energy: 0.44023707399902334
Energy: 0.43435826806831734
Energy: 0.45242948403595945
Energy: 0.452429462619573
   minimum gb energy = 0.43435826806831734 eV
   minimum distance = 2.56698963027874 Angstroms
   sigma value = 157

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

Energy: 0.4524381871151267
Energy: 0.4627772169758581
Energy: 0.4627791773888585
Energy: 0.44750909490825785
Energy: 0.4457774681008941
Energy: 0.44577282220279035
Energy: 0.4335598811888657
Energy: 0.45982882113350015
Energy: 0.4598290851430334
Energy: 0.429936903829475
Energy: 0.44625008144887146
Energy: 0.44625145947103495
Energy: 0.49963200128858615
Energy: 0.43582783778764633
Energy: 0.43582918772584406
Energy: 0.5259089840410587
Energy: 0.43298262622357797
Energy: 0.43298436697777976
Energy: 0.4657914285474006
Energy: 0.4348551618914757
Energy: 0.4348526698093057
Energy: 0.42973503571690086
Energy: 0.43583123576334615
Energy: 0.4358274168138677
Energy: 0.44538748182598387
Energy: 0.43899507693985673
Energy: 0.4389943949521012
Energy: 0.439408364664134
Energy: 0.4533576303936056
Energy: 0.4533586884375533
   minimum gb energy = 0.42973503571690086 eV
   minimum distance = 2.56833197812874 Angstroms
   sigma value = 53

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

Energy: 0.4418242474341224
Energy: 0.45064674562999096
Energy: 0.45064171101851264
Energy: 0.4454396643049361
Energy: 0.43314996919507076
Energy: 0.43314866067383767
Energy: 0.4361621983842731
Energy: 0.45064169795986
Energy: 0.4506430927376534
Energy: 0.5143568842248766
Energy: 0.43279308119756127
Energy: 0.4327932561774953
Energy: 0.42980785217284734
Energy: 0.4465880745558508
Energy: 0.4465870257999932
Energy: 0.5114812315516177
Energy: 0.44465495560175217
Energy: 0.4446566410108943
Energy: 0.43751532586978753
Energy: 0.43615054670268255
Energy: 0.4361505894399849
Energy: 0.45388373476021376
Energy: 0.4630861085536299
Energy: 0.46308450334653417
Energy: 0.4327971973486978
Energy: 0.46046697462544034
Energy: 0.46046759593165554
Energy: 0.4754445454151584
Energy: 0.4298105103461745
Energy: 0.42980864196502555
   minimum gb energy = 0.42980785217284734 eV
   minimum distance = 2.5776831110562 Angstroms
   sigma value = 1

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

Energy: 0.44921544886200704
Energy: 0.44864089875318686
Energy: 0.44864185629417086
Energy: 0.4473312051605961
Energy: 0.43821531703883326
Energy: 0.4382192570159424
Energy: 0.4318311483403078
Energy: 0.43842196385307214
Energy: 0.43842920445260003
Energy: 0.4346654880322255
Energy: 0.4333289991122721
Energy: 0.43331803137728053
Energy: 0.4748640390024567
Energy: 0.42752135942867175
Energy: 0.4275213554090917
Energy: 0.43484021664254563
Energy: 0.4458679795977595
Energy: 0.44586794493630877
Energy: 0.5004623218059782
Energy: 0.43471464847486235
Energy: 0.4347115557926108
Energy: 0.4266473091152644
Energy: 0.48551364452723517
Energy: 0.48551843111845316
Energy: 0.42592577428264095
Energy: 0.43466917927933624
Energy: 0.43466704104380877
Energy: 0.44181656371732414
Energy: 0.44516448563515953
Energy: 0.4451655573254582
   minimum gb energy = 0.42592577428264095 eV
   minimum distance = 2.55863672188383 Angstroms
   sigma value = 3

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

Energy: 0.43247438429291135
Energy: 0.42204127650150874
Energy: 0.4220402550816271
Energy: 0.40882686712139893
Energy: 0.45103765167212917
Energy: 0.4510376292990594
Energy: 0.41125802578134557
Energy: 0.44929594688110214
Energy: 0.44929384246464876
Energy: 0.4088268732749287
Energy: 0.41436461813175823
Energy: 0.4143685164562231
Energy: 0.46083305011222825
Energy: 0.4344566513485604
Energy: 0.43445721884388905
Energy: 0.42918173222182965
Energy: 0.4143646180307514
Energy: 0.4143646545768906
Energy: 0.4197595052608956
Energy: 0.4143646180406902
Energy: 0.4143646181077395
Energy: 0.43247516429392785
Energy: 0.4143646180067327
Energy: 0.414365861204413
Energy: 0.40882689137207395
Energy: 0.47224977470930457
Energy: 0.4722455215334198
Energy: 0.41125774182506997
Energy: 0.44929341686385343
Energy: 0.44929374900441615
   minimum gb energy = 0.40882686712139893 eV
   minimum distance = 2.56998147557902 Angstroms
   sigma value = 17

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

Energy: 0.4397077097069675
Energy: 0.43768977020067357
Energy: 0.4376900320185475
Energy: 0.4219334785484783
Energy: 0.4290555407345636
Energy: 0.42905729975090984
Energy: 0.42524425642202157
Energy: 0.4506538167064328
Energy: 0.4506503106306038
Energy: 0.4267103758561084
Energy: 0.42579721319523317
Energy: 0.4258002210385186
Energy: 0.461235829773982
Energy: 0.4188626905563609
Energy: 0.4188670306746859
Energy: 0.4257592144243111
Energy: 0.4348594589138116
Energy: 0.4348610932632291
Energy: 0.4348593984
Energy: 0.42650628716170474
Energy: 0.42650423028935486
Energy: 0.4136075206970506
Energy: 0.499865515296428
Energy: 0.49986514996358017
Energy: 0.4181745877981513
Energy: 0.4232046319516797
Energy: 0.42320661211444416
Energy: 0.4165984872850366
Energy: 0.45362929730343465
Energy: 0.453628272787586
   minimum gb energy = 0.4136075206970506 eV
   minimum distance = 2.56376024183796 Angstroms
   sigma value = 233

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

Energy: 0.4338766771366402
Energy: 0.42588785130649126
Energy: 0.42588686751202415
Energy: 0.4167304555914826
Energy: 0.46985775418661024
Energy: 0.4698528311869522
Energy: 0.42840070983125406
Energy: 0.42308321065222027
Energy: 0.42308309149105633
Energy: 0.4251010501137021
Energy: 0.41816315912851815
Energy: 0.41816416830057546
Energy: 0.418411700159728
Energy: 0.46526626337132854
Energy: 0.4652676388263111
Energy: 0.4214920302908509
Energy: 0.4371526505742135
Energy: 0.4371519337115185
Energy: 0.4184122275390874
Energy: 0.42902231247692035
Energy: 0.429023025602269
Energy: 0.494865974836321
Energy: 0.43140650756156645
Energy: 0.4314094878490422
Energy: 0.4236625761168923
Energy: 0.4246385775788522
Energy: 0.4246431898064488
Energy: 0.4167311508011357
Energy: 0.43381386182089215
Energy: 0.4338139768429967
   minimum gb energy = 0.4167304555914826 eV
   minimum distance = 2.57635089582029 Angstroms
   sigma value = 89

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

Energy: 0.45303313400204487
Energy: 0.4290338568185317
Energy: 0.4290342975954712
Energy: 0.4288123042896081
Energy: 0.4203785446871096
Energy: 0.42037853674858733
Energy: 0.41594563574618865
Energy: 0.44640340663549166
Energy: 0.44640313579465657
Energy: 0.4573949480400526
Energy: 0.41085579367123143
Energy: 0.41085723105194877
Energy: 0.40958045569624074
Energy: 0.4564620327232464
Energy: 0.4564614640926843
Energy: 0.4977677939811773
Energy: 0.4075230205007236
Energy: 0.40752647590756536
Energy: 0.40880816827296074
Energy: 0.40914204798937803
Energy: 0.40914395045213214
Energy: 0.44789234182971455
Energy: 0.41659667190278193
Energy: 0.4165967031729976
Energy: 0.4088093287976589
Energy: 0.4091388417903198
Energy: 0.409139223458525
Energy: 0.4159348733321279
Energy: 0.4134882014796876
Energy: 0.4134879868879517
   minimum gb energy = 0.4075230205007236 eV
   minimum distance = 2.57613657808907 Angstroms
   sigma value = 85

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

Energy: 0.4460544319696693
Energy: 0.42317918325800263
Energy: 0.42318390311318316
Energy: 0.41309643997872164
Energy: 0.463023376697781
Energy: 0.46302060328462497
Energy: 0.41236916507933086
Energy: 0.41413442599865724
Energy: 0.41413416348162235
Energy: 0.44501373356289137
Energy: 0.41935852671513996
Energy: 0.41936016527336106
Energy: 0.4103445689585783
Energy: 0.41204231146022063
Energy: 0.4120379475181843
Energy: 0.4107193847675141
Energy: 0.41055304340865206
Energy: 0.41055290683325957
Energy: 0.41327273109170665
Energy: 0.4374669725646258
Energy: 0.4374669692677156
Energy: 0.4084054333322064
Energy: 0.44219647137727025
Energy: 0.4421949770584877
Energy: 0.4102793643622049
Energy: 0.42088039102347913
Energy: 0.4208839635487411
Energy: 0.47223191543096094
Energy: 0.41055084198517267
Energy: 0.4105510490066109
   minimum gb energy = 0.4084054333322064 eV
   minimum distance = 2.57275716499011 Angstroms
   sigma value = 69

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

Energy: 0.3814908050306677
Energy: 0.3814906829082501
Energy: 0.38149130579744595
Energy: 0.38149165522973205
Energy: 0.38149154984425815
Energy: 0.3814907098817999
Energy: 0.38259641003812106
Energy: 0.39395975188606275
Energy: 0.39396022821103016
Energy: 0.38871058236081346
Energy: 0.3939597663642377
Energy: 0.3939602532075179
Energy: 0.38871071602788326
Energy: 0.39395992379888195
Energy: 0.39395977436231866
Energy: 0.5261862365919417
Energy: 0.3887113931567072
Energy: 0.3887110642509212
Energy: 0.3887105890999809
Energy: 0.41070159497974956
Energy: 0.41070112495950195
Energy: 0.3814907678701775
Energy: 0.44141389181511803
Energy: 0.4414138875186629
Energy: 0.3887108176646077
Energy: 0.39395975498680125
Energy: 0.39395976377479675
Energy: 0.38149071662244377
Energy: 0.39395976068930955
Energy: 0.39395990157284105
   minimum gb energy = 0.3814906829082501 eV
   minimum distance = 2.58872763251624 Angstroms
   sigma value = 13

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

Energy: 0.46892451625700454
Energy: 0.39950961992453965
Energy: 0.39951085415100396
Energy: 0.3885812394362745
Energy: 0.39153862330794026
Energy: 0.3915379284416892
Energy: 0.392161726295057
Energy: 0.3936985643105415
Energy: 0.39369873258800003
Energy: 0.3855164726043122
Energy: 0.3903880553557061
Energy: 0.3903936976808704
Energy: 0.3867216488709261
Energy: 0.392828007698385
Energy: 0.3928336225329618
Energy: 0.38449833537889255
Energy: 0.3903894630121911
Energy: 0.3903922032743885
Energy: 0.3860094245192448
Energy: 0.3903900191175931
Energy: 0.3903940547111722
Energy: 0.4274214714510779
Energy: 0.39091222550806703
Energy: 0.3909124618464467
Energy: 0.42963372228626706
Energy: 0.3903923449512206
Energy: 0.39039163986497866
Energy: 0.47083268614698015
Energy: 0.387750933779465
Energy: 0.38774760183354545
   minimum gb energy = 0.38449833537889255 eV
   minimum distance = 2.57965340136051 Angstroms
   sigma value = 125

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

Energy: 0.39990429668195043
Energy: 0.39503057950146026
Energy: 0.39503194330660385
Energy: 0.3910131821937441
Energy: 0.39003007909352516
Energy: 0.3900306651061183
Energy: 0.3830968661299737
Energy: 0.3851928653081794
Energy: 0.3851982595708204
Energy: 0.37743073075088673
Energy: 0.4180516083330009
Energy: 0.41805194712406196
Energy: 0.4805655305162125
Energy: 0.3813729726618034
Energy: 0.3813697350509379
Energy: 0.38309642172963065
Energy: 0.39901225756901487
Energy: 0.3990110247369754
Energy: 0.3790989236892046
Energy: 0.38081237589590666
Energy: 0.38081250332050676
Energy: 0.51723146947081
Energy: 0.38418965096388213
Energy: 0.3841893452837581
Energy: 0.3858414714472657
Energy: 0.3883373293117087
Energy: 0.38833854972895643
Energy: 0.37688783835054096
Energy: 0.3900326243687109
Energy: 0.39003035365383726
   minimum gb energy = 0.37688783835054096 eV
   minimum distance = 2.5793871342737 Angstroms
   sigma value = 37

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

Energy: 0.4250393854422946
Energy: 0.4031196568181768
Energy: 0.40312024953343134
Energy: 0.374270683057115
Energy: 0.380385861308034
Energy: 0.38038402590469145
Energy: 0.3729162685025798
Energy: 0.3823797286876067
Energy: 0.38237973859987734
Energy: 0.3812233339233518
Energy: 0.38122346956706754
Energy: 0.38122346629775045
Energy: 0.4106172314528236
Energy: 0.3823797254474826
Energy: 0.382379659662645
Energy: 0.3788106968174222
Energy: 0.382379776733217
Energy: 0.3823796878388271
Energy: 0.38080144057030263
Energy: 0.3828852202975688
Energy: 0.3828842460109328
Energy: 0.5353960269280371
Energy: 0.38288590018165797
Energy: 0.38288577428018367
Energy: 0.41250181777794975
Energy: 0.37907546725022273
Energy: 0.37907710219353763
Energy: 0.38042497917516416
Energy: 0.39950443812457354
Energy: 0.3995044607879617
   minimum gb energy = 0.3729162685025798 eV
   minimum distance = 2.59278915121858 Angstroms
   sigma value = 37

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

Energy: 0.46186776243532424
Energy: 0.38303362592757356
Energy: 0.3830334859327098
Energy: 0.3625539112460362
Energy: 0.3725494192347316
Energy: 0.372552025687684
Energy: 0.36559804677524205
Energy: 0.3705131013420093
Energy: 0.37051607545425796
Energy: 0.3672275946221582
Energy: 0.39813556822802887
Energy: 0.39813452925099696
Energy: 0.36598710655061795
Energy: 0.37051527072805907
Energy: 0.37051529032205915
Energy: 0.4552703638621117
Energy: 0.3749122041797226
Energy: 0.3749116082880855
Energy: 0.36922671566634585
Energy: 0.3749101979983126
Energy: 0.37491330817803237
Energy: 0.5291930418464537
Energy: 0.3682255933810817
Energy: 0.3682259384307566
Energy: 0.36976632806844983
Energy: 0.3796415935067886
Energy: 0.3796423226028564
Energy: 0.3659868039535609
Energy: 0.3944121148037232
Energy: 0.3944117269552108
   minimum gb energy = 0.3625539112460362 eV
   minimum distance = 2.58676998670229 Angstroms
   sigma value = 185

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

Energy: 0.44121967191004124
Energy: 0.3779670299304702
Energy: 0.377970465117743
Energy: 0.3682917621971899
Energy: 0.37464927330204567
Energy: 0.3746500801465603
Energy: 0.43328026775275014
Energy: 0.37337254994772223
Energy: 0.3733734464066903
Energy: 0.3712546836097005
Energy: 0.42313146506894833
Energy: 0.423132453815091
Energy: 0.3924148654450423
Energy: 0.3678797063528776
Energy: 0.36788001111816104
Energy: 0.3683417396916521
Energy: 0.37073472011657255
Energy: 0.3707334743487599
Energy: 0.3670249759691654
Energy: 0.3707360556016045
Energy: 0.3707363018890076
Energy: 0.4345055219308846
Energy: 0.37138778960161367
Energy: 0.37138750586500424
Energy: 0.3702421707938238
Energy: 0.3709027702349428
Energy: 0.37090514118287243
Energy: 0.4332802642866953
Energy: 0.3733717791274252
Energy: 0.37337074692925143
   minimum gb energy = 0.3670249759691654 eV
   minimum distance = 2.57747525801932 Angstroms
   sigma value = 173

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

Energy: 0.3559200916178751
Energy: 0.3564825257839261
Energy: 0.35648235877958234
Energy: 0.3402162927606367
Energy: 0.38162954129749316
Energy: 0.3816295370948927
Energy: 0.3442203350906861
Energy: 0.35480809017818943
Energy: 0.3548081897980421
Energy: 0.34421936180510987
Energy: 0.3731010044334725
Energy: 0.37310062244102654
Energy: 0.34421913641909085
Energy: 0.3463409206876776
Energy: 0.34633984661307565
Energy: 0.3442216580020533
Energy: 0.35592252937958563
Energy: 0.3559223964150608
Energy: 0.34021630365573907
Energy: 0.38806484457910834
Energy: 0.3880641649164953
Energy: 0.35591995475098415
Energy: 0.3559199626232619
Energy: 0.35591995586415837
Energy: 0.3402163309248419
Energy: 0.3559199538782257
Energy: 0.3559206121570931
Energy: 0.3442190105901864
Energy: 0.3559200453574182
Energy: 0.35591996870366066
   minimum gb energy = 0.3402162927606367 eV
   minimum distance = 2.59436371733143 Angstroms
   sigma value = 25

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

Energy: 0.4242964355123977
Energy: 0.35488672381595926
Energy: 0.3548872495412659
Energy: 0.34227688839133485
Energy: 0.3520784505461177
Energy: 0.3520807002518709
Energy: 0.3757967176499955
Energy: 0.3479775387262955
Energy: 0.347980035731372
Energy: 0.3383177130717639
Energy: 0.3463155503061436
Energy: 0.3463152345312518
Energy: 0.34592382308048963
Energy: 0.35156472652056214
Energy: 0.3515625328903166
Energy: 0.35207938056201205
Energy: 0.34631514544487896
Energy: 0.34631510591209247
Energy: 0.341188816286122
Energy: 0.3515640757465271
Energy: 0.35156251344824996
Energy: 0.5245516411212857
Energy: 0.3446891671086016
Energy: 0.34469130541098275
Energy: 0.34058615339348514
Energy: 0.3491033115312727
Energy: 0.3491033574005285
Energy: 0.34257157272767474
Energy: 0.35785672532866775
Energy: 0.3578567555535252
   minimum gb energy = 0.3383177130717639 eV
   minimum distance = 2.58841906091418 Angstroms
   sigma value = 269

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

Energy: 0.44200808589697393
Energy: 0.3483547128072753
Energy: 0.34835525388826133
Energy: 0.329824579374995
Energy: 0.3483171753908136
Energy: 0.3483165407027844
Energy: 0.32982175011130227
Energy: 0.3376012029959904
Energy: 0.3375987600058636
Energy: 0.33762901068723594
Energy: 0.34235317544850674
Energy: 0.34235321260241763
Energy: 0.3376290133180973
Energy: 0.35645976184667727
Energy: 0.3564595337808956
Energy: 0.33256822581636836
Energy: 0.3483163281355711
Energy: 0.3483172040196032
Energy: 0.3697345820121332
Energy: 0.3306071136044356
Energy: 0.3306073615571164
Energy: 0.4421291473859527
Energy: 0.34235236063793584
Energy: 0.34235232313600805
Energy: 0.33051685860922964
Energy: 0.37847825920732786
Energy: 0.37847842088838757
Energy: 0.33051566661552
Energy: 0.34831631728228374
Energy: 0.3483166399369332
   minimum gb energy = 0.32982175011130227 eV
   minimum distance = 2.59186038205654 Angstroms
   sigma value = 65

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

Energy: 0.34372677873774543
Energy: 0.34288352826454016
Energy: 0.3428836483797286
Energy: 0.3291210236861256
Energy: 0.3380954153538529
Energy: 0.3380990509845037
Energy: 0.33431446819790606
Energy: 0.3464644119028411
Energy: 0.34646693796539096
Energy: 0.3593696970521902
Energy: 0.3309396424756792
Energy: 0.3309387116487148
Energy: 0.3333512987794542
Energy: 0.3460258245300241
Energy: 0.34602596054345547
Energy: 0.3907061506521823
Energy: 0.33257479512688365
Energy: 0.332575292802235
Energy: 0.3323808177736527
Energy: 0.34305628834369023
Energy: 0.34305715657167474
Energy: 0.5058108071879157
Energy: 0.332574739614563
Energy: 0.33257371965469074
Energy: 0.33238076569512787
Energy: 0.3379123163745841
Energy: 0.3379124212015855
Energy: 0.3918083542212582
Energy: 0.3322134801471266
Energy: 0.33221157747872854
   minimum gb energy = 0.3291210236861256 eV
   minimum distance = 2.58710206869148 Angstroms
   sigma value = 79

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

Energy: 0.3337258132155053
Energy: 0.31801644777333216
Energy: 0.3180152540563815
Energy: 0.3160525461532942
Energy: 0.32411527183821814
Energy: 0.32411520200699306
Energy: 0.41763469068878095
Energy: 0.31801531951807904
Energy: 0.31801537698778026
Energy: 0.31801527089299014
Energy: 0.33372574870070154
Energy: 0.3337257966548398
Energy: 0.3180152536055613
Energy: 0.3454088926026677
Energy: 0.34540934795468387
Energy: 0.308985976027854
Energy: 0.316052718937864
Energy: 0.31605344135055163
Energy: 0.3160525963306444
Energy: 0.31801634165440684
Energy: 0.31801652825700993
Energy: 0.3337257363911848
Energy: 0.35901964043516704
Energy: 0.35902011748637613
Energy: 0.3160525257583258
Energy: 0.34141229153769204
Energy: 0.3414126948042742
Energy: 0.31088517699587037
Energy: 0.31605286370191904
Energy: 0.3160533237099307
   minimum gb energy = 0.308985976027854 eV
   minimum distance = 2.59209522606358 Angstroms
   sigma value = 41

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

Energy: 0.3982995759677728
Energy: 0.3172840937388808
Energy: 0.3172838713880139
Energy: 0.2991474024331925
Energy: 0.31523204237537744
Energy: 0.3152308162001997
Energy: 0.29896691710951023
Energy: 0.31523006040648915
Energy: 0.31523056151830464
Energy: 0.404649010820713
Energy: 0.31149332546495606
Energy: 0.3114942265521392
Energy: 0.3843792681497423
Energy: 0.3114942534033609
Energy: 0.31149334350310937
Energy: 0.3071850635946882
Energy: 0.3114947054818203
Energy: 0.3114936690095456
Energy: 0.30597905852567486
Energy: 0.338202316635872
Energy: 0.3382018069976512
Energy: 0.4589491044955574
Energy: 0.31523011641545856
Energy: 0.31523113448683376
Energy: 0.334448911378053
Energy: 0.3026708601554413
Energy: 0.30267075622442974
Energy: 0.3009930047752715
Energy: 0.3080556766349688
Energy: 0.3080541036090613
   minimum gb energy = 0.29896691710951023 eV
   minimum distance = 2.59153314060273 Angstroms
   sigma value = 101

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

Energy: 0.43630969748866866
Energy: 0.297338010759554
Energy: 0.2973378315941229
Energy: 0.32468121139078704
Energy: 0.2919572047855167
Energy: 0.291957267207018
Energy: 0.2886469904504124
Energy: 0.31811287423426904
Energy: 0.31811313606655056
Energy: 0.28524618220330844
Energy: 0.29727047950658037
Energy: 0.2972698087813862
Energy: 0.28864698638665426
Energy: 0.31811323078383447
Energy: 0.3181135451974398
Energy: 0.2886463830089384
Energy: 0.2972698138260283
Energy: 0.29726981225614746
Energy: 0.28757885405656664
Energy: 0.2972703510064624
Energy: 0.29727005838647313
Energy: 0.43509615374388244
Energy: 0.2972700128375295
Energy: 0.29727025505859767
Energy: 0.42381506157168214
Energy: 0.29726980917262674
Energy: 0.29726982424289206
Energy: 0.28864679766531337
Energy: 0.30457071473951847
Energy: 0.3045701421662056
   minimum gb energy = 0.28524618220330844 eV
   minimum distance = 2.59734611165945 Angstroms
   sigma value = 15

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

Energy: 0.4219400950069994
Energy: 0.29211656747522646
Energy: 0.29211655610851794
Energy: 0.34095729195630486
Energy: 0.2899649061362576
Energy: 0.2899650395079505
Energy: 0.2779169607178586
Energy: 0.2899650951349657
Energy: 0.2899650368467794
Energy: 0.28453149134919997
Energy: 0.2899647057178609
Energy: 0.28996471064675866
Energy: 0.41641754761394995
Energy: 0.2822440528306589
Energy: 0.2822436196521365
Energy: 0.2809634253113949
Energy: 0.30608002937301504
Energy: 0.3060807031109454
Energy: 0.2752391414771969
Energy: 0.2899647061444857
Energy: 0.2899653085374963
Energy: 0.4636404389936065
Energy: 0.28986629140498105
Energy: 0.28986585824602634
Energy: 0.28034305791209724
Energy: 0.3090404965724185
Energy: 0.30904114661261767
Energy: 0.27633165014808125
Energy: 0.2899651179375016
Energy: 0.2899647529857587
   minimum gb energy = 0.2752391414771969 eV
   minimum distance = 2.59474921031118 Angstroms
   sigma value = 145

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

Energy: 0.3975408223138522
Energy: 0.2777524615077499
Energy: 0.2777523102797749
Energy: 0.27173582171732247
Energy: 0.28118702167998305
Energy: 0.2811874925968507
Energy: 0.266556365280539
Energy: 0.27173549674288716
Energy: 0.2717356837874438
Energy: 0.26571151358674816
Energy: 0.27239221555943166
Energy: 0.27239244361458687
Energy: 0.26655583208075695
Energy: 0.2717352822900252
Energy: 0.27173553624811986
Energy: 0.26655631585537815
Energy: 0.28118719603645664
Energy: 0.2811876393266811
Energy: 0.27173555663036886
Energy: 0.27618282427701524
Energy: 0.2761824074353134
Energy: 0.3972939580034852
Energy: 0.2811876184941367
Energy: 0.2811871898324657
Energy: 0.3479036932016733
Energy: 0.27618248679402446
Energy: 0.27618227118404237
Energy: 0.2915947138170914
Energy: 0.2659097673820216
Energy: 0.2659098971790106
   minimum gb energy = 0.26571151358674816 eV
   minimum distance = 2.5923008467124 Angstroms
   sigma value = 85

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

Energy: 0.27578668280715446
Energy: 0.27219176022265945
Energy: 0.27219124300685915
Energy: 0.2595760687374234
Energy: 0.2971905697048395
Energy: 0.29719152195175513
Energy: 0.2599646414435687
Energy: 0.2676067936734419
Energy: 0.2676065929321472
Energy: 0.3197414459512131
Energy: 0.2746223430600707
Energy: 0.27462250986696396
Energy: 0.3197414590058221
Energy: 0.2697167486747307
Energy: 0.2697167472034225
Energy: 0.2586980595101615
Energy: 0.26971676795262856
Energy: 0.2697166019660581
Energy: 0.2575546704679078
Energy: 0.26971676693611646
Energy: 0.26971647463017084
Energy: 0.46636917507227704
Energy: 0.2676065453830132
Energy: 0.26760643114305194
Energy: 0.33363944608266277
Energy: 0.29443717753114373
Energy: 0.2944373709304512
Energy: 0.2564859661995197
Energy: 0.26971669395869785
Energy: 0.26971666375414677
   minimum gb energy = 0.2564859661995197 eV
   minimum distance = 2.59711041157997 Angstroms
   sigma value = 197

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

Energy: 0.3692536672843032
Energy: 0.2608395764038441
Energy: 0.26083937194807283
Energy: 0.25849438776311895
Energy: 0.2584942466337618
Energy: 0.25849424597393744
Energy: 0.239282017756855
Energy: 0.27456413429680654
Energy: 0.27456432769548067
Energy: 0.2401177773573572
Energy: 0.2584942943565228
Energy: 0.2584942577171884
Energy: 0.2792644762528017
Energy: 0.25938832086863095
Energy: 0.25938829698475174
Energy: 0.24011780717143702
Energy: 0.258494306312763
Energy: 0.25849428857345697
Energy: 0.3476145738602906
Energy: 0.26624335661695386
Energy: 0.26624335653976233
Energy: 0.36925366681838695
Energy: 0.2584942512093524
Energy: 0.25849426223875727
Energy: 0.25849425731848946
Energy: 0.24664869529458938
Energy: 0.24664833828996838
Energy: 0.2475108076558062
Energy: 0.25849427109571016
Energy: 0.25849436958104594
   minimum gb energy = 0.239282017756855 eV
   minimum distance = 2.60319644039521 Angstroms
   sigma value = 113

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

Energy: 0.37835182118901983
Energy: 0.24706483007971541
Energy: 0.24706474874579828
Energy: 0.3950589173288161
Energy: 0.23709721398558675
Energy: 0.2370969188751063
Energy: 0.22945916705226027
Energy: 0.24835476448996754
Energy: 0.24835472852936288
Energy: 0.22945918614421598
Energy: 0.24835472982018938
Energy: 0.24835472819502555
Energy: 0.22441408411833305
Energy: 0.2483563981870431
Energy: 0.24835475097428084
Energy: 0.2339357465567005
Energy: 0.23710023667441948
Energy: 0.23709700981453125
Energy: 0.3786903757228253
Energy: 0.24250782559668438
Energy: 0.24250782610859967
Energy: 0.40916180741763025
Energy: 0.24835473579653286
Energy: 0.2483547512079888
Energy: 0.3244322241897611
Energy: 0.24835472818459803
Energy: 0.24835475211638738
Energy: 0.2873656560337365
Energy: 0.23709699300560363
Energy: 0.23709691858165877
   minimum gb energy = 0.22441408411833305 eV
   minimum distance = 2.60116239948268 Angstroms
   sigma value = 145

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

Energy: 0.24083289600839858
Energy: 0.25552613906919397
Energy: 0.2555260762787865
Energy: 0.35435734654526396
Energy: 0.2287173710074126
Energy: 0.22871707893227766
Energy: 0.21462967862331953
Energy: 0.228716697561721
Energy: 0.2287166915926112
Energy: 0.22097706080265378
Energy: 0.22871685547307372
Energy: 0.22871689855101132
Energy: 0.21504740076792542
Energy: 0.23904776105906228
Energy: 0.23904689462398954
Energy: 0.2682931387500394
Energy: 0.2702064314484822
Energy: 0.2702064304230152
Energy: 0.2287170821482512
Energy: 0.22871627931230296
Energy: 0.22871686571305924
Energy: 0.383853973553702
Energy: 0.2337263477643116
Energy: 0.23372609772908343
Energy: 0.21740770442216742
Energy: 0.22054873951356224
Energy: 0.22054872936113168
Energy: 0.22097665060917618
Energy: 0.23904666593305657
Energy: 0.23904682197289273
   minimum gb energy = 0.21462967862331953 eV
   minimum distance = 2.60501029884737 Angstroms
   sigma value = 181

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

Energy: 0.2349665544129473
Energy: 0.22448995484655485
Energy: 0.22449002417301187
Energy: 0.21540145254031703
Energy: 0.271177333207163
Energy: 0.2711775678648839
Energy: 0.20904326307015492
Energy: 0.27921548417214087
Energy: 0.2792158588865249
Energy: 0.2076249838546113
Energy: 0.2171599234279356
Energy: 0.21715939975055945
Energy: 0.20762506306832645
Energy: 0.22115617352504502
Energy: 0.22115633661902845
Energy: 0.20904324871805213
Energy: 0.2257169215140733
Energy: 0.22571695453634597
Energy: 0.215401274599735
Energy: 0.221156230200277
Energy: 0.22115631740719902
Energy: 0.2282317220761988
Energy: 0.2211569508686683
Energy: 0.22115690732040388
Energy: 0.23357829521058515
Energy: 0.22115631857424337
Energy: 0.22115618496802755
Energy: 0.22296214507025205
Energy: 0.2211561784276236
Energy: 0.2211562994988256
   minimum gb energy = 0.2076249838546113 eV
   minimum distance = 2.60302245069297 Angstroms
   sigma value = 55

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

Energy: 0.22370462255783352
Energy: 0.21343064587049324
Energy: 0.2134307527720833
Energy: 0.2725489600143583
Energy: 0.2105721891443052
Energy: 0.2105721238587882
Energy: 0.22635322423678295
Energy: 0.20111364845627283
Energy: 0.2011138138227622
Energy: 0.19335515036113396
Energy: 0.2142671009394999
Energy: 0.21426711749271096
Energy: 0.20135532756924363
Energy: 0.2134307399015619
Energy: 0.21343126208806742
Energy: 0.19669108537598648
Energy: 0.20706303873427695
Energy: 0.2070633033440049
Energy: 0.21600733696080232
Energy: 0.19867984966359725
Energy: 0.1986798010614742
Energy: 0.21426719472414613
Energy: 0.21426702508753948
Energy: 0.21426709352077453
Energy: 0.2713731361212973
Energy: 0.2039908973877594
Energy: 0.20399121601702006
Energy: 0.19645317222090586
Energy: 0.21426716661850528
Energy: 0.21426708890609192
   minimum gb energy = 0.19335515036113396 eV
   minimum distance = 2.60339377658439 Angstroms
   sigma value = 265

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

Energy: 0.20971639308858941
Energy: 0.20268472876518714
Energy: 0.2026847246413062
Energy: 0.22907277002080953
Energy: 0.19326474011346773
Energy: 0.19326491987276276
Energy: 0.19120102715922194
Energy: 0.19842718334561069
Energy: 0.1984272406172542
Energy: 0.18347519786888042
Energy: 0.20133213059500457
Energy: 0.20133215070258445
Energy: 0.19120096213585858
Energy: 0.19842713702979717
Energy: 0.19842708166020626
Energy: 0.18737816039589444
Energy: 0.20133242802419707
Energy: 0.20133221448555752
Energy: 0.25533190340990713
Energy: 0.2045773373522552
Energy: 0.20457734104530995
Energy: 0.2079678139872314
Energy: 0.20133222263591757
Energy: 0.20133247050860806
Energy: 0.30997613050193024
Energy: 0.20457736188138093
Energy: 0.20457733209466686
Energy: 0.18911295914676673
Energy: 0.2013321202176297
Energy: 0.20133219297881613
   minimum gb energy = 0.18347519786888042 eV
   minimum distance = 2.60204030839515 Angstroms
   sigma value = 39

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

Energy: 0.20359010678106354
Energy: 0.19643179854530507
Energy: 0.1964318124908628
Energy: 0.24586181703183393
Energy: 0.19339772959556545
Energy: 0.19339759987879743
Energy: 0.2194546685857978
Energy: 0.19080205778434017
Energy: 0.1908020756154757
Energy: 0.1763376051948846
Energy: 0.1908021162570885
Energy: 0.19080219015664987
Energy: 0.17968312063977365
Energy: 0.19611336276634722
Energy: 0.19611336151618042
Energy: 0.18271731677308606
Energy: 0.25168935315983554
Energy: 0.25168927226184945
Energy: 0.24586204998863764
Energy: 0.19080223677342664
Energy: 0.19080209631517905
Energy: 0.1961138363696686
Energy: 0.1908022885976922
Energy: 0.1908021801039317
Energy: 0.2210821846242582
Energy: 0.18436122946200723
Energy: 0.18436123831254111
Energy: 0.23790470495410335
Energy: 0.19080206956047863
Energy: 0.1908021681006114
   minimum gb energy = 0.1763376051948846 eV
   minimum distance = 2.60110503469771 Angstroms
   sigma value = 91

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

Energy: 0.19804262437181203
Energy: 0.1881667141006448
Energy: 0.18816804268274684
Energy: 0.23755162806262048
Energy: 0.18639047672610537
Energy: 0.1863910432854844
Energy: 0.1754116779530828
Energy: 0.18881791593161304
Energy: 0.18881801914967491
Energy: 0.1732016288334387
Energy: 0.1913442508846628
Energy: 0.1913457790472442
Energy: 0.1715641096559404
Energy: 0.18639051968558715
Energy: 0.18639057466712833
Energy: 0.30938645731017
Energy: 0.178533850917647
Energy: 0.17853373409887754
Energy: 0.17841383846734424
Energy: 0.1820776810785547
Energy: 0.18207749404479595
Energy: 0.19134251319221118
Energy: 0.18881795530328518
Energy: 0.18881796552086955
Energy: 0.18207752447407582
Energy: 0.19134467587303214
Energy: 0.19134283751046344
Energy: 0.17853363906339068
Energy: 0.22236454375581924
Energy: 0.22236431388728203
   minimum gb energy = 0.1715641096559404 eV
   minimum distance = 2.60078808293957 Angstroms
   sigma value = 105

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

Energy: 0.011031672721159454
Energy: 0.011031672726631046
Energy: 0.011031672721508705
Energy: 0.011031672721508705
Energy: 0.13115762403502293
Energy: 0.1311576240380886
Energy: 0.011031672720131107
Energy: 0.13115762405720038
Energy: 0.13115762403502293
Energy: 0.011031672721508705
Energy: 0.1311576240353528
Energy: 0.1311576240374095
Energy: 0.011031672720480357
Energy: 0.13115762403467368
Energy: 0.1311576240367304
Energy: 0.011031672726631046
Energy: 0.1311576240374095
Energy: 0.13115762403570205
Energy: 0.011031672722517653
Energy: 0.1311576240367304
Energy: 0.13115762403502293
Energy: 0.011031672721159454
Energy: 0.011031672722517653
Energy: 0.011031672721508705
Energy: 0.01103167271912216
Energy: 0.1311576240380886
Energy: 0.13115762403706022
Energy: 0.011031672720829609
Energy: 0.1311576240367304
Energy: 0.13115762403467368
   minimum gb energy = 0.01103167271912216 eV
   minimum distance = 2.86271008738594 Angstroms
   sigma value = 1