Model name: model_name=EAM_CubicNaturalSpline_ErcolessiAdams_1994_Al__MO_800509458712_003
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.032082758843899
cohesive_energy=3.360264281693947
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.0219469121079998e-19, 2.6564248809383398e-19, 3.0382075510542e-19, 3.40712474279904e-19, 3.6790301393551795e-19, 3.92257700948952e-19, 4.1432768408230197e-19, 4.3352496451088995e-19, 4.498110899954999e-19, 4.63376719555578e-19, 4.745551059309959e-19, 4.8477058414938e-19, 4.95255228042276e-19, 5.04232223722578e-19, 5.1137472715695e-19, 5.171842196318339e-19, 5.22242291265372e-19, 5.266787183649179e-19, 5.30414994275406e-19, 5.333950428146459e-19, 5.35610853099468e-19, 5.371473404914739e-19, 5.38041355053246e-19, 5.38331349024e-19, 5.3801892458037e-19, 5.369967358878779e-19, 5.351269957559999e-19, 5.323231866465e-19, 5.28593319442548e-19, 5.236137544640759e-19, 5.16991958435754e-19, 9.2148388016193e-20, 8.384046129824938e-20, 7.2641887497243e-20, 5.7724020858069e-20, 3.7986486468496195e-20, 1.2065143077037979e-20, -2.18294964205866e-20, -6.538098320961839e-20, -1.19894081875488e-19, -1.8879729019729198e-19, -2.7643955643036e-19, -3.8764823877293396e-19, -5.27726541883554e-19, -7.028220175068779e-19, -9.24422272108686e-19, -1.210021472355624e-18, -1.5696172004438519e-18, -1.999516439232e-18, -2.48407874041896e-18, -3.0525310101621597e-18, -3.7580655127103996e-18, -4.7533376377511996e-18, -6.454993418956259e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.010417840880508036
Energy: 0.23352742567043538
Energy: 0.01080981893901588
Energy: 0.01197963498965199
Energy: 0.23315285673798097
Energy: 0.010836257985691296
Energy: 0.23352742567043538
Energy: 0.05607701504949279
Energy: 0.05625648212125205
Energy: 0.056154792780241915
Energy: 0.05565260900458614
Energy: 0.05621694613897478
Energy: 0.010809818938287639
Energy: 0.05625648212125205
Energy: 0.05628658513332943
Energy: 0.01082224666719538
Energy: 0.05628514056737639
Energy: 0.05651051097150014
Energy: 0.01197963498965199
Energy: 0.05615479277850533
Energy: 0.010822246667699547
Energy: 0.010592834267028227
Energy: 0.05610590765947522
Energy: 0.010810699395672339
Energy: 0.23315285673747685
Energy: 0.055652609004109996
Energy: 0.05628514056393124
Energy: 0.05610590766121179
Energy: 0.055828217068128246
Energy: 0.05625349610974403
Energy: 0.010836257985215137
Energy: 0.05621694614045927
Energy: 0.05651051097150014
Energy: 0.010810699395420256
Energy: 0.05625349610901579
Energy: 0.010880227109683229

minimum gb energy = 0.010417840880508036 eV
minimum distance =  2.84467409172246 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 0.6422777512027618
Energy: 0.4506352504092782
Energy: 0.42131705973864847
Energy: 0.43530138162190707
Energy: 0.45031733223176584
Energy: 0.42130295084366093
Energy: 0.5904683449791467
Energy: 0.46965044128445277
Energy: 0.45064416026066856
Energy: 0.4268366062216729
Energy: 0.46935272916227877
Energy: 0.45018897778987327
Energy: 0.6710619410464067
Energy: 0.4243889173383481
Energy: 0.41144170870737845
Energy: 0.40289036421567326
Energy: 0.4479622218954716
Energy: 0.4109567455867053
Energy: 0.6727272611142522
Energy: 0.4108376249230962
Energy: 0.4241578493497947
Energy: 0.4048971076733645
Energy: 0.4106549329943826
Energy: 0.4026674608464601
Energy: 0.695364129747143
Energy: 0.45081369725353254
Energy: 0.4454477947116795
Energy: 0.43011133847449895
Energy: 0.45087589032754005
Energy: 0.4457242282475191
Energy: 0.5916270748887347
Energy: 0.4342048375049574
Energy: 0.4330645835002199
Energy: 0.4305898423682907
Energy: 0.4461821401834683
Energy: 0.4311846288896573
Energy: 0.5906955605014143
Energy: 0.4500797263373122
Energy: 0.4300101427358871
Energy: 0.43085836143889283
Energy: 0.4439115624690196
Energy: 0.4301069704511474
Energy: 0.5640703505453863
Energy: 0.4420364914229595
Energy: 0.44265721004771563
Energy: 0.43571349668482473
Energy: 0.4422233868957018
Energy: 0.43046809998003405
Energy: 0.48861213407523363
Energy: 0.4311255263350592
Energy: 0.43104452978651364
Energy: 0.4460928788236566
Energy: 0.43169510913309633
Energy: 0.4322574514465068
Energy: 0.4881219287298367
Energy: 0.4387547708679936
Energy: 0.44548664754095507
Energy: 0.44598749911608987
Energy: 0.4377733915849348
Energy: 0.4465541032335024
Energy: 0.5464519420306826
Energy: 0.4177052431770487
Energy: 0.43992818980914916
Energy: 0.5028614262530537
Energy: 0.4180673349259506
Energy: 0.4258996310360758
Energy: 0.4700434942010394
Energy: 0.40289652253436276
Energy: 0.41093052596260715
Energy: 0.4700879006813924
Energy: 0.4081344892863714
Energy: 0.4112184518552176
Energy: 0.468125437127856
Energy: 0.4338112885132356
Energy: 0.4364788087162952
Energy: 0.4679676023744953
Energy: 0.41842424250017807
Energy: 0.4502366544200694
Energy: 0.520767671332809
Energy: 0.4030142618594472
Energy: 0.4273023679147594
Energy: 0.45236236114626227
Energy: 0.40337696498622433
Energy: 0.4114555740120953
Energy: 0.47043501992634607
Energy: 0.4500454268862054
Energy: 0.4169436742894107
Energy: 0.45319945815662216
Energy: 0.44200267406823635
Energy: 0.45682167009121394
Energy: 0.4770839384584626
Energy: 0.40282797502679546
Energy: 0.40298335916234956
Energy: 0.4610153077035625
Energy: 0.4027273134939373
Energy: 0.40314571097921076
Energy: 0.5483997840528445
Energy: 0.42968133972281625
Energy: 0.42960377509646064
Energy: 0.4334318180318654
Energy: 0.429909931703362
Energy: 0.4027710957865748
Energy: 0.5290801662694412
Energy: 0.45048558100881997
Energy: 0.4484352630996835
Energy: 0.44486141269515317
Energy: 0.44060671737785573
Energy: 0.4540330310786649
Energy: 0.5287093206625555
Energy: 0.4511422483044392
Energy: 0.4514685780328343
Energy: 0.4453569685959453
Energy: 0.4450146816626179
Energy: 0.44581800318332154
Energy: 0.6828365495398804
Energy: 0.4522530425753762
Energy: 0.45035051882024046
Energy: 0.44449798370966737
Energy: 0.44513597210117967
Energy: 0.4453406995242904
Energy: 0.6291169095934404
Energy: 0.4269536715869154
Energy: 0.41667536690667906
Energy: 0.4174156463659571
Energy: 0.46174525540303896
Energy: 0.4164474073310919
Energy: 0.6289767048198778
Energy: 0.4203316132598089
Energy: 0.40320157404880375
Energy: 0.4150723388835606
Energy: 0.4580135412555933
Energy: 0.4031758606070632
Energy: 0.6415039540899784
Energy: 0.45496382369827343
Energy: 0.45573709600295925
Energy: 0.410304096414322
Energy: 0.4531322771511757
Energy: 0.45587387950190666

minimum gb energy = 0.4026674608464601 eV
minimum distance =  2.61949470781525 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 0.7316938158823153
Energy: 0.41026370428185127
Energy: 0.41172934725107996
Energy: 0.41441695342287815
Energy: 0.40990911473870784
Energy: 0.4120649873752325
Energy: 0.6111213998852124
Energy: 0.46354513983594
Energy: 0.40922872984892616
Energy: 0.3937327532444603
Energy: 0.45200641903130606
Energy: 0.4206579381130182
Energy: 0.6087767091700578
Energy: 0.45232807914447737
Energy: 0.45284765855602993
Energy: 0.425133083590107
Energy: 0.45743933001004533
Energy: 0.4262384306642869
Energy: 0.6072564521091861
Energy: 0.451739667838637
Energy: 0.45454925314423883
Energy: 0.4248422013587692
Energy: 0.46197023787246017
Energy: 0.42494361446084683
Energy: 0.7115592608583471
Energy: 0.49076548709883727
Energy: 0.4670578182867175
Energy: 0.4168865205026006
Energy: 0.4662565989014902
Energy: 0.4893679120077913
Energy: 0.6126454751869307
Energy: 0.442804475540666
Energy: 0.440551174463709
Energy: 0.44436081341121725
Energy: 0.4847552756607614
Energy: 0.4436098032390142
Energy: 0.6132437226077067
Energy: 0.45011805879251554
Energy: 0.4508775616929073
Energy: 0.44823465253113504
Energy: 0.48800213046321667
Energy: 0.4498292834330105
Energy: 0.5714496271052238
Energy: 0.4682465260447898
Energy: 0.46562550110683243
Energy: 0.47172178627424083
Energy: 0.46312764459864225
Energy: 0.4641607413173726
Energy: 0.5012505870894427
Energy: 0.4711453080015948
Energy: 0.4427763341323711
Energy: 0.47993107534590623
Energy: 0.4629893328816394
Energy: 0.4437013964086362
Energy: 0.5014005699222603
Energy: 0.47870589788575163
Energy: 0.4681463746628885
Energy: 0.47966271407558214
Energy: 0.47347501621583793
Energy: 0.479479448030028
Energy: 0.5336252531988662
Energy: 0.3640963008659419
Energy: 0.3636746693249487
Energy: 0.49137979142319604
Energy: 0.3634232521013577
Energy: 0.36397085927849493
Energy: 0.4800230840074503
Energy: 0.3640003581118887
Energy: 0.432131750401477
Energy: 0.47988211829483124
Energy: 0.36402880102823637
Energy: 0.4369557405469745
Energy: 0.47928729901945283
Energy: 0.44508471070101757
Energy: 0.44505130285007044
Energy: 0.47928007054479665
Energy: 0.44225667302880145
Energy: 0.4579760834359902
Energy: 0.5345422231344888
Energy: 0.42631459177505804
Energy: 0.42543160298966054
Energy: 0.4796535396634531
Energy: 0.42474518624087254
Energy: 0.44057382873985107
Energy: 0.5018551393792788
Energy: 0.4255918847213304
Energy: 0.4902313257023444
Energy: 0.48892237608491723
Energy: 0.4561309798453012
Energy: 0.4898239107115002
Energy: 0.5008274545758037
Energy: 0.43956224250165193
Energy: 0.44013718859148093
Energy: 0.48441856023195096
Energy: 0.44016850956073433
Energy: 0.44109511403049584
Energy: 0.5685601968930083
Energy: 0.4472613609091924
Energy: 0.4449937556844686
Energy: 0.48511333928585415
Energy: 0.44764424645403783
Energy: 0.44772832255981293
Energy: 0.5236002080726226
Energy: 0.4506309478568942
Energy: 0.45007571415797554
Energy: 0.46343966447156726
Energy: 0.45751375274520173
Energy: 0.46392906369897513
Energy: 0.5195285424299471
Energy: 0.48012308871203957
Energy: 0.4703841178970004
Energy: 0.4630979892767816
Energy: 0.480095807870218
Energy: 0.44300582139053896
Energy: 0.7006283681738347
Energy: 0.4814513136279059
Energy: 0.4802665613587236
Energy: 0.46661181499807886
Energy: 0.4815681765538305
Energy: 0.47018072625967927
Energy: 0.6753769599507653
Energy: 0.44014995519276867
Energy: 0.3641139372692808
Energy: 0.36362700834208117
Energy: 0.4371832402262454
Energy: 0.3639926308569714
Energy: 0.6744562774890822
Energy: 0.4369571688024744
Energy: 0.437098257760272
Energy: 0.36392543896723334
Energy: 0.4785361571070444
Energy: 0.4249566773411003
Energy: 0.7058937045202744
Energy: 0.47960215250879
Energy: 0.47940393560941647
Energy: 0.4007524915389158
Energy: 0.47951719579842766
Energy: 0.4535710210492064
Energy: 0.6177842596565694
Energy: 0.5070883708862391
Energy: 0.5027755999602127
Energy: 0.4008192428804139
Energy: 0.5089523239002616
Energy: 0.4398537984973835
Energy: 0.7084607894315715
Energy: 0.48805565593009453
Energy: 0.4879922611694719
Energy: 0.41300530632945714
Energy: 0.48828714518360067
Energy: 0.48825674911087563
Energy: 0.6144988683456019
Energy: 0.4402443231651203
Energy: 0.44034482168071415
Energy: 0.44347483170513124
Energy: 0.48341126505608434
Energy: 0.4401646141199813
Energy: 0.6127480955673142
Energy: 0.4501909055395982
Energy: 0.45066419969786947
Energy: 0.44866083858098477
Energy: 0.44271936885975394
Energy: 0.44994268699913037
Energy: 0.6410849487211605
Energy: 0.46714154909314576
Energy: 0.46320568153714564
Energy: 0.4866835795346069
Energy: 0.46298609364106363
Energy: 0.45086453908680596
Energy: 0.5024821880471597
Energy: 0.468815738894748
Energy: 0.4665863206901779
Energy: 0.48159299238552705
Energy: 0.46307203148488674
Energy: 0.44348091853875304
Energy: 0.5027273206043127
Energy: 0.47649330488730585
Energy: 0.4585564784892605
Energy: 0.4812127697460623
Energy: 0.47361932068195944
Energy: 0.48208036684923755
Energy: 0.5013485372858955
Energy: 0.36365860530973854
Energy: 0.3635554053436572
Energy: 0.43658671377073904
Energy: 0.3637256421123568
Energy: 0.363630292584967
Energy: 0.47864775259118786
Energy: 0.36361377569426273
Energy: 0.36370786042138076
Energy: 0.47874052345579626
Energy: 0.3636488227387343
Energy: 0.4366758848957264
Energy: 0.4854188537962827
Energy: 0.4091871664971625
Energy: 0.44449542408622683
Energy: 0.4858987717147455
Energy: 0.44189826304342084
Energy: 0.4795426367628945
Energy: 0.47908627890667216
Energy: 0.4014529957292442
Energy: 0.4102594064505251
Energy: 0.4787709567606065
Energy: 0.4263538333451113
Energy: 0.4304727240597678
Energy: 0.5018078174777397
Energy: 0.40335498587736807
Energy: 0.45776596766934313
Energy: 0.49092876399572927
Energy: 0.44470820524288296
Energy: 0.48883710592847635
Energy: 0.4997469170758613
Energy: 0.4375164937064207
Energy: 0.4410960884632073
Energy: 0.4843261421709965
Energy: 0.44346089262925276
Energy: 0.4406708964680648
Energy: 0.5014316014767701
Energy: 0.44982649103813904
Energy: 0.41448277440365494
Energy: 0.4105551601108909
Energy: 0.4240158679066666
Energy: 0.45047599685651424
Energy: 0.5198885103262696
Energy: 0.4537565523694162
Energy: 0.45753320752747745
Energy: 0.4630509496479547
Energy: 0.48412925065437723
Energy: 0.43348331570813214
Energy: 0.5227778979493901
Energy: 0.4543718004495626
Energy: 0.42986963924978155
Energy: 0.46329730538783315
Energy: 0.4539738032314081
Energy: 0.4657836911497384
Energy: 0.6316514537069037
Energy: 0.4634237539691815
Energy: 0.4547096495932402
Energy: 0.45539356765461203
Energy: 0.4525765992130163
Energy: 0.46411489848527054
Energy: 0.7010572624982002
Energy: 0.40826659389811076
Energy: 0.3634674074880956
Energy: 0.3636617710766129
Energy: 0.4142422874197898
Energy: 0.38012184654345027

minimum gb energy = 0.3634232521013577 eV
minimum distance =  2.62402166630943 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 0.664910917550619
Energy: 0.4338959850361966
Energy: 0.4672358878226182
Energy: 0.4222154759329031
Energy: 0.43381656792855977
Energy: 0.4046199203972681
Energy: 0.6329730035442996
Energy: 0.4658242138943265
Energy: 0.4645548445275317
Energy: 0.4984300802509228
Energy: 0.4660968125389586
Energy: 0.43402036221178164
Energy: 0.5973960154858388
Energy: 0.46332926893253673
Energy: 0.40337149369255465
Energy: 0.37361837102139556
Energy: 0.4635580136887652
Energy: 0.39495140750239743
Energy: 0.5971281132991909
Energy: 0.39771740242758113
Energy: 0.39783335877452136
Energy: 0.4259830300418655
Energy: 0.4157611223283927
Energy: 0.37134003430250756
Energy: 0.6327365484736823
Energy: 0.4552588639703287
Energy: 0.4552497587250396
Energy: 0.41103008104980143
Energy: 0.45510820968710414
Energy: 0.45501486134020797
Energy: 0.5124713413470162
Energy: 0.4549731974045939
Energy: 0.4372375905328816
Energy: 0.4540050539479052
Energy: 0.45499376929169727
Energy: 0.4302702855576317
Energy: 0.513459636911075
Energy: 0.43825474329844916
Energy: 0.4544108904966402
Energy: 0.4539610926883804
Energy: 0.4099954234063364
Energy: 0.45434938017899434
Energy: 0.5357343042944223
Energy: 0.3767751681805381
Energy: 0.37654522743432856
Energy: 0.443454676730688
Energy: 0.3768617406723243
Energy: 0.37663608463054277
Energy: 0.4634842215721002
Energy: 0.37673992635367226
Energy: 0.37679331893018675
Energy: 0.4319589323982601
Energy: 0.37606756414602804
Energy: 0.39786334620846114
Energy: 0.4624104944438035
Energy: 0.3885003160348925
Energy: 0.4336302295973046
Energy: 0.46241316409233435
Energy: 0.38331308293684707
Energy: 0.462507024544127
Energy: 0.46588595127999777
Energy: 0.39665280748184495
Energy: 0.3967322618426521
Energy: 0.4647257305186595
Energy: 0.3962364410191229
Energy: 0.486203297203009
Energy: 0.4663826012108194
Energy: 0.3888411043090075
Energy: 0.43393182380094
Energy: 0.45803793979305785
Energy: 0.4021909814803298
Energy: 0.4581529043226213
Energy: 0.46619622811554834
Energy: 0.4032875331058946
Energy: 0.40350633067137315
Energy: 0.4580947995979025
Energy: 0.40301172628169507
Energy: 0.4256022441196805
Energy: 0.46664972036725283
Energy: 0.4123944243378655
Energy: 0.395980507404814
Energy: 0.42499393474345165
Energy: 0.39660223191472194
Energy: 0.41038126542766157
Energy: 0.5440165143249029
Energy: 0.4154014572616183
Energy: 0.41383314257215464
Energy: 0.4430359654387431
Energy: 0.4561013449018241
Energy: 0.3956495598815708
Energy: 0.5443216811927682
Energy: 0.4251419659995601
Energy: 0.40921043830919257
Energy: 0.4411198788168423
Energy: 0.4246924908194302
Energy: 0.44031894419751627
Energy: 0.615781354493487
Energy: 0.4585196329231637
Energy: 0.4585252741718653
Energy: 0.40377153773938346
Energy: 0.45987838992821417
Energy: 0.45840073752668087
Energy: 0.6483836388780769
Energy: 0.43951208455140783
Energy: 0.41462995211348286
Energy: 0.37603856314547474
Energy: 0.4334567919336099
Energy: 0.41467600936920523

minimum gb energy = 0.37134003430250756 eV
minimum distance =  2.66320245609335 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 0.554874575879287
Energy: 0.39705980518150724
Energy: 0.3841221991931869
Energy: 0.3853562693958202
Energy: 0.41018989310053705
Energy: 0.3843867008951511
Energy: 0.6548535124988606
Energy: 0.4095562373082027
Energy: 0.40958535832338966
Energy: 0.3740256261527503
Energy: 0.40966160363941306
Energy: 0.39703824065232696
Energy: 0.5906344291371765
Energy: 0.40988152771902603
Energy: 0.4098301003284648
Energy: 0.3753871790163886
Energy: 0.40964972960180707
Energy: 0.4099290109580264
Energy: 0.47476086098422354
Energy: 0.40994999794052595
Energy: 0.4100046102026169
Energy: 0.4081480934108424
Energy: 0.4098838061361296
Energy: 0.4098799461195869
Energy: 0.5909957363736446
Energy: 0.411406466566745
Energy: 0.42699958381577185
Energy: 0.4108564888740982
Energy: 0.4108842342263806
Energy: 0.4268106399001656
Energy: 0.4763412685847197
Energy: 0.39809481552908194
Energy: 0.4096086514006972
Energy: 0.4112266402720507
Energy: 0.39769672216640545
Energy: 0.41029649301965904
Energy: 0.4751609627579661
Energy: 0.41031651125324403
Energy: 0.41029013352001414
Energy: 0.41120320275851907
Energy: 0.3869448303194663
Energy: 0.41075077585000214
Energy: 0.4719431346891894
Energy: 0.3580812596390908
Energy: 0.35796400075779716
Energy: 0.39662668748677726
Energy: 0.35801946373911947
Energy: 0.357955370641643
Energy: 0.40957030318606563
Energy: 0.3577772174121517
Energy: 0.35811817453250194
Energy: 0.40955997524396337
Energy: 0.3581024285958055
Energy: 0.3579389802233572
Energy: 0.4107736817306152
Energy: 0.3968556699420103
Energy: 0.4098462512967601
Energy: 0.4097342013204673
Energy: 0.3738213046233572
Energy: 0.4097929828014094
Energy: 0.4101309970098814
Energy: 0.4080169789749898
Energy: 0.40839753187283206
Energy: 0.41047607444584977
Energy: 0.408287173378443
Energy: 0.39699171617109724
Energy: 0.4751892850604279
Energy: 0.4102560346721696
Energy: 0.41116062921100455
Energy: 0.41118331689846327
Energy: 0.38481093684732576
Energy: 0.396449242518418
Energy: 0.39803846079085436
Energy: 0.41011531843440924
Energy: 0.38574700595467626
Energy: 0.39947534784578537
Energy: 0.41047925750614134
Energy: 0.41051604318527013
Energy: 0.47491640819919984
Energy: 0.4112789851958777
Energy: 0.41110754072358147
Energy: 0.41029826961142357
Energy: 0.4113686089165253
Energy: 0.41073325006132116
Energy: 0.5469447899559349
Energy: 0.3968431709442452
Energy: 0.3966872301317799
Energy: 0.3581566668438488
Energy: 0.411920169000439
Energy: 0.35812675121636833
Energy: 0.547219745117873
Energy: 0.4096764388401559
Energy: 0.35804464252586676
Energy: 0.3584407462850894
Energy: 0.4097856354590509
Energy: 0.35803851539581816
Energy: 0.5904175486393083
Energy: 0.4096584361576058
Energy: 0.40963550455654146
Energy: 0.37511332305092704
Energy: 0.4101503636377993
Energy: 0.40990688932634534
Energy: 0.4757829237376561
Energy: 0.41007305555526186
Energy: 0.4100467022390422
Energy: 0.40816799522349756
Energy: 0.4099446487746377
Energy: 0.410036881472528
Energy: 0.4744780498520364
Energy: 0.4100808190270764
Energy: 0.4099261720866732
Energy: 0.40823382195144786
Energy: 0.40977883552624605
Energy: 0.40991621396103023
Energy: 0.47475077636224416
Energy: 0.3976484322955184
Energy: 0.4261054606054943
Energy: 0.4106146300942223
Energy: 0.3975954598705854
Energy: 0.42645811000355777
Energy: 0.4746410253946729
Energy: 0.3857624398811417
Energy: 0.4110235625711589
Energy: 0.41089330144906505
Energy: 0.41050203262297014
Energy: 0.4106888475357285
Energy: 0.47465369595680484
Energy: 0.37345668620425865
Energy: 0.4110434618030429
Energy: 0.41063973492629796
Energy: 0.3744061025388676
Energy: 0.4106068193284022
Energy: 0.4723098718274229
Energy: 0.358675455996498
Energy: 0.35809216097767793
Energy: 0.47231945226156014
Energy: 0.3583781645975727
Energy: 0.3842923060042944
Energy: 0.4096008185255174
Energy: 0.3748673202695331
Energy: 0.39677151898577456
Energy: 0.4096965999718046
Energy: 0.35791082929181156
Energy: 0.40986253602404604
Energy: 0.40965978885437937
Energy: 0.3736608568931617
Energy: 0.4097767445621138
Energy: 0.40971174369967645
Energy: 0.37441508800341855
Energy: 0.409666529209499
Energy: 0.47266984891978336
Energy: 0.40884561074371323
Energy: 0.4093728297666457
Energy: 0.40989050263338433
Energy: 0.4080262681664567
Energy: 0.40997643911853343
Energy: 0.4750297198508004
Energy: 0.41112889588912066
Energy: 0.41051845064976933
Energy: 0.4107549682782206
Energy: 0.41106825429493066
Energy: 0.4270471874556694
Energy: 0.39766446805292016
Energy: 0.41237472279048865
Energy: 0.410645449169581
Energy: 0.3976362810252501
Energy: 0.4107325972655837
Energy: 0.4096211956849332
Energy: 0.47495084400530435
Energy: 0.41069287046304576
Energy: 0.41102996369120104
Energy: 0.3868310109380154
Energy: 0.41060774895756763
Energy: 0.41030558980951143
Energy: 0.5471710322808682
Energy: 0.3964953771638796
Energy: 0.3580111105839517
Energy: 0.3581992956704441
Energy: 0.39653332724427
Energy: 0.3578474111112912

minimum gb energy = 0.3577772174121517 eV
minimum distance =  2.70623974675399 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 0.48104270181167824
Energy: 0.4350817436056622
Energy: 0.4733788029760518
Energy: 0.33202012800720615
Energy: 0.4350834609490751
Energy: 0.5614129902611376
Energy: 0.6157897252125681
Energy: 0.39981963772444856
Energy: 0.39999944087784967
Energy: 0.3613065068872001
Energy: 0.39983951164985776
Energy: 0.40323643479869375
Energy: 0.6088081551302403
Energy: 0.402406858807225
Energy: 0.40024943237255095
Energy: 0.3607204928990939
Energy: 0.40244754979282354
Energy: 0.40061476328785767
Energy: 0.6109039142303762
Energy: 0.401153022756511
Energy: 0.3756129861855386
Energy: 0.36059594926200983
Energy: 0.40197374690728244
Energy: 0.37579628008826704
Energy: 0.47931475140963115
Energy: 0.3190237360849586
Energy: 0.3632746095126511
Energy: 0.37557414174927184
Energy: 0.3189604648432192
Energy: 0.36261332672729296
Energy: 0.4000708976700036
Energy: 0.3187345323232791
Energy: 0.3188695073836254
Energy: 0.400028918139969
Energy: 0.3190787571599618
Energy: 0.31880939731979147
Energy: 0.4021818360861001
Energy: 0.363029293122649
Energy: 0.3763637654326913
Energy: 0.40203413004341604
Energy: 0.36096391614628565
Energy: 0.3999976285530142
Energy: 0.4006193368735489
Energy: 0.3752050220842656
Energy: 0.37558554083333334
Energy: 0.4005714354378665
Energy: 0.35962163337620023
Energy: 0.37515639484527047
Energy: 0.4294549196951234
Energy: 0.3617857854180709
Energy: 0.36042785948994754
Energy: 0.400484692442718
Energy: 0.3600325120904487
Energy: 0.3894008909069337
Energy: 0.43093312196626243
Energy: 0.36993860473331835
Energy: 0.3378991261908334
Energy: 0.37012101340111897
Energy: 0.37144936096456055
Energy: 0.36909760247198486
Energy: 0.4295783335492709
Energy: 0.37048961459269786
Energy: 0.37088877652501534
Energy: 0.37019506696923804
Energy: 0.36972267441839285
Energy: 0.37172378694166885
Energy: 0.6159726944624195
Energy: 0.36956064170200126
Energy: 0.37010682537325196
Energy: 0.36123082821961583
Energy: 0.37046256701537045
Energy: 0.38930401115376695

minimum gb energy = 0.3187345323232791 eV
minimum distance =  2.66964475684067 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 0.8117278940555681
Energy: 0.34518323060380174
Energy: 0.42329937760587266
Energy: 0.42222297453439905
Energy: 0.3439709500246574
Energy: 0.4222214239022631
Energy: 0.4795065939850553
Energy: 0.342938584755267
Energy: 0.3429826385846443
Energy: 0.36160122458176525
Energy: 0.3437899179629573
Energy: 0.36604673920310943
Energy: 0.48149358907138223
Energy: 0.3467720357790553
Energy: 0.3439955713681124
Energy: 0.3599461123200193
Energy: 0.34473146822500556
Energy: 0.35664154931410214
Energy: 0.48148636672091977
Energy: 0.33535912689590786
Energy: 0.3181532751232399
Energy: 0.35880339679521556
Energy: 0.36092586565234686
Energy: 0.36524344401687
Energy: 0.5363257188471636
Energy: 0.3530095671568182
Energy: 0.34406574840248794
Energy: 0.3473594691416814
Energy: 0.3614453657021591
Energy: 0.337795383249492
Energy: 0.34705833418913634
Energy: 0.35608097328720384
Energy: 0.36176852143179583
Energy: 0.3470877115888104
Energy: 0.3593559400431856
Energy: 0.3449347310217825
Energy: 0.3482729020021645
Energy: 0.3356355927875788
Energy: 0.3598287301930902
Energy: 0.3484806337188513
Energy: 0.33771035865236315
Energy: 0.3470712602652046
Energy: 0.34727816947153356
Energy: 0.35943779347371396
Energy: 0.3540956933363961
Energy: 0.3472605482514461
Energy: 0.3583906755175153
Energy: 0.34740245053028573
Energy: 0.5531550059032516
Energy: 0.35924670088665256
Energy: 0.33746167950596845
Energy: 0.3529428074088011
Energy: 0.35876776545790623
Energy: 0.33639790563647093
Energy: 0.5621848921694327
Energy: 0.34461889405944873
Energy: 0.3582443716871858
Energy: 0.3579313160638098
Energy: 0.35235465726136544
Energy: 0.3292324125110749
Energy: 0.560125222175808
Energy: 0.3474144178460112
Energy: 0.3473411324688259
Energy: 0.359408828636374
Energy: 0.3474146518307507
Energy: 0.3755708733134865
Energy: 0.5650137838802591
Energy: 0.3478838685305592
Energy: 0.3475791902479431
Energy: 0.3556138023844269
Energy: 0.3479925371025851
Energy: 0.3726789799884555
Energy: 0.6310096858364819
Energy: 0.34799606955349227
Energy: 0.4164214005550323
Energy: 0.34554622116204303
Energy: 0.3479997650492478
Energy: 0.4169009705302223
Energy: 0.565319799082789
Energy: 0.3625573125245555
Energy: 0.35337382380919935
Energy: 0.3553267120990695
Energy: 0.36367459468632557
Energy: 0.3565918893708227
Energy: 0.3441981502493677
Energy: 0.3591243976525954
Energy: 0.3598443643843947
Energy: 0.343912135395933
Energy: 0.3604138901909294
Energy: 0.37003647168905
Energy: 0.34443764634781754
Energy: 0.3253990028910356
Energy: 0.33562354112150145
Energy: 0.3445973157299522
Energy: 0.3579715072756717
Energy: 0.3433986329564794
Energy: 0.34410305892334764
Energy: 0.3452943227128227
Energy: 0.33776665017788127
Energy: 0.3438747031997535
Energy: 0.35423666397993964
Energy: 0.34357462733233834
Energy: 0.4355798022717338
Energy: 0.3548255917870774
Energy: 0.36277665146060895
Energy: 0.3435662688884257
Energy: 0.36578962423078837
Energy: 0.3487565590727915
Energy: 0.36696292713770157
Energy: 0.3466510238593902
Energy: 0.3282578729082148
Energy: 0.3516586578375962
Energy: 0.347602834368388
Energy: 0.34890062093958935
Energy: 0.3664705661447112
Energy: 0.3496476925881695
Energy: 0.3310221074910863
Energy: 0.34880656355475276
Energy: 0.3492007636419965
Energy: 0.3317391942958313
Energy: 0.3664037936625081
Energy: 0.3498946863265005
Energy: 0.3367130849856759
Energy: 0.3259646333021204
Energy: 0.3509017380450524
Energy: 0.33203733027405413
Energy: 0.6651888333092354
Energy: 0.342563597442833
Energy: 0.35011160320721424
Energy: 0.3583745927853746
Energy: 0.34318321999346835
Energy: 0.3595846077995092
Energy: 0.6676745225630161
Energy: 0.3430958717360319
Energy: 0.34344373368198167
Energy: 0.36114283083160237
Energy: 0.34350276828614323
Energy: 0.3289114058252832
Energy: 0.4808668102002524
Energy: 0.343974081733083
Energy: 0.34388105469264224
Energy: 0.36020193988061194
Energy: 0.3449288490208076
Energy: 0.3566382173381949
Energy: 0.49521724643401444
Energy: 0.32448776759034104
Energy: 0.35087654997568
Energy: 0.3566451358637674
Energy: 0.34328332386467747
Energy: 0.3691288850392962
Energy: 0.4815986258055535
Energy: 0.3455032357599819
Energy: 0.33573452381849517
Energy: 0.351973168470548
Energy: 0.35537819962197303
Energy: 0.3562784478931933
Energy: 0.40841806134732994
Energy: 0.3605012839303321
Energy: 0.38868621189929253
Energy: 0.4300097854825034
Energy: 0.36230590757388065
Energy: 0.35101035312838047
Energy: 0.34770830817554066
Energy: 0.33843561963667435
Energy: 0.3359887674412286
Energy: 0.34761102344680755
Energy: 0.34985634659407816
Energy: 0.34749128708945765
Energy: 0.34804409307124134
Energy: 0.3476462862127448
Energy: 0.33654902317745927
Energy: 0.3482208785678964
Energy: 0.35903267984590276
Energy: 0.3477657218087722
Energy: 0.5328069028752408
Energy: 0.3594564085387028
Energy: 0.3372342617842886
Energy: 0.35935812966201197
Energy: 0.3584206714340241
Energy: 0.36204664048788465
Energy: 0.5606802064764298
Energy: 0.3478491136385058
Energy: 0.3786228256673398
Energy: 0.36005932391688766
Energy: 0.3516781461423466
Energy: 0.37230864758310794
Energy: 0.5626506258541608
Energy: 0.34716111591858617
Energy: 0.3472364644268219
Energy: 0.35841058353997773
Energy: 0.3472248953382484
Energy: 0.3311739242925312
Energy: 0.4621380083311357
Energy: 0.34783426193707817
Energy: 0.34735149586690267
Energy: 0.33667488074421753
Energy: 0.3488682968033042
Energy: 0.3622083111830546
Energy: 0.6147655212770884
Energy: 0.3481425267406299
Energy: 0.34723054143131765
Energy: 0.36278303702773956
Energy: 0.3483077869230732
Energy: 0.33638441470072616
Energy: 0.6147477276152078
Energy: 0.3473010076839235
Energy: 0.3537520888643643
Energy: 0.3607422087251613
Energy: 0.34752813348224365
Energy: 0.3381689866200411
Energy: 0.42644791703944585
Energy: 0.35641212339892936
Energy: 0.36024047444514834
Energy: 0.34257269549754016
Energy: 0.35813512325634334
Energy: 0.33830968363915087
Energy: 0.34419724089451936
Energy: 0.3591369904178786
Energy: 0.3336968702938184
Energy: 0.34469027347518605
Energy: 0.36320684638776657
Energy: 0.324444414107271
Energy: 0.34362711071650265
Energy: 0.32972674883530445
Energy: 0.32934822412577186
Energy: 0.3436311765327562
Energy: 0.34453832026957165
Energy: 0.3436243541239952
Energy: 0.5407358118690517
Energy: 0.3874473420367535
Energy: 0.4779500118634362
Energy: 0.541607637727917
Energy: 0.37248171714041806
Energy: 0.3418696079457747
Energy: 0.36517352857869656
Energy: 0.3297820616563353
Energy: 0.33045253111862205
Energy: 0.3439484019352745
Energy: 0.3451163984739789
Energy: 0.3265395078825004
Energy: 0.36599308846257533
Energy: 0.32899131598393877
Energy: 0.3257149333991726
Energy: 0.34885675207383504
Energy: 0.3509680740315386
Energy: 0.32948895658025074
Energy: 0.3669922897661139
Energy: 0.3500629275442919
Energy: 0.35144323685147044
Energy: 0.3287703648848232
Energy: 0.34958431753196517
Energy: 0.33742920010683425
Energy: 0.6665724456668624
Energy: 0.3430650273089681
Energy: 0.32761526715156286
Energy: 0.36053984296268843
Energy: 0.34377977618630795
Energy: 0.3289243955644462

minimum gb energy = 0.3181532751232399 eV
minimum distance =  2.66578540197619 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 0.27423911346152985
Energy: 0.27618395774869736
Energy: 0.14321810804761723
Energy: 0.14372066765373054
Energy: 0.2984303399173707
Energy: 0.2513123830652745
Energy: 0.3864200209608976
Energy: 0.2901119210512777
Energy: 0.29338931663219264
Energy: 0.2871413375362971
Energy: 0.2899827656803185
Energy: 0.28360747669222
Energy: 0.3848546025962139
Energy: 0.37093496577237767
Energy: 0.35278502375258414
Energy: 0.32924114232114393
Energy: 0.3532984480136082
Energy: 0.3782793730365647
Energy: 0.3787016070594981
Energy: 0.3555393998733989
Energy: 0.3619430959269003
Energy: 0.3400839594343564
Energy: 0.34222796148803003
Energy: 0.35027222546862985
Energy: 0.363981059877692
Energy: 0.20596677880264175
Energy: 0.20550477985062376
Energy: 0.3529075328628881
Energy: 0.1428620326560491
Energy: 0.34078331591095545
Energy: 0.35981095784959993
Energy: 0.20870728676618083
Energy: 0.20881546011687982
Energy: 0.3593604475310786
Energy: 0.14266291318867552
Energy: 0.1571374008890564
Energy: 0.36074970704682385
Energy: 0.3484555536546743
Energy: 0.34709425299985563
Energy: 0.3583613854059663
Energy: 0.3380483898478675
Energy: 0.3542800409099662
Energy: 0.3581679346949991
Energy: 0.37328875493709157
Energy: 0.3802444516968642
Energy: 0.35419419616002934
Energy: 0.34221822027973525
Energy: 0.3589855283310373
Energy: 0.36464252986307133
Energy: 0.3571393915214609
Energy: 0.35762493626817254
Energy: 0.36582028442920533
Energy: 0.3619271699169551
Energy: 0.3624637112224295
Energy: 0.14261915386842752
Energy: 0.3700853629676321
Energy: 0.15744495862220914
Energy: 0.14254944010884155
Energy: 0.37472310999766295
Energy: 0.14436696209142583
Energy: 0.1425890322188686
Energy: 0.36021178560814765
Energy: 0.36659150526702594
Energy: 0.14270299409948778
Energy: 0.3590459335451326
Energy: 0.14410033641079553
Energy: 0.36500722996192997
Energy: 0.3605475771641731
Energy: 0.36139186123344674
Energy: 0.35024731175529594
Energy: 0.35431425142823736
Energy: 0.34903642742488017
Energy: 0.3780486250108913
Energy: 0.3576949797126875
Energy: 0.35698837316199117
Energy: 0.36298655579022654
Energy: 0.3945697701623951
Energy: 0.3868623162090521
Energy: 0.3748298533876159
Energy: 0.34444786485963286
Energy: 0.3472509543478346
Energy: 0.35797431567551763
Energy: 0.3455815329106194
Energy: 0.3585078213737264
Energy: 0.3365900381064262
Energy: 0.14256140653195898
Energy: 0.14267232651869097
Energy: 0.3342066058008262
Energy: 0.2082045323476647
Energy: 0.20506642469341305
Energy: 0.3438083827225089
Energy: 0.32855275636323417
Energy: 0.34484350538194625
Energy: 0.3502746280791957
Energy: 0.2077070683720198
Energy: 0.3483096885122301
Energy: 0.3514319438776138
Energy: 0.33676394839749635
Energy: 0.33940103840236996
Energy: 0.33960346825103427
Energy: 0.360866396332769
Energy: 0.3606483438453841
Energy: 0.38582247350939763
Energy: 0.28784396808415236
Energy: 0.29223428421455766
Energy: 0.28773272314814813
Energy: 0.32892524697556064
Energy: 0.28925671923770235
Energy: 0.25919858723709016
Energy: 0.3120043013572385
Energy: 0.29241483795685885
Energy: 0.14263295891390362
Energy: 0.28968628983859385
Energy: 0.284086427842776

minimum gb energy = 0.14254944010884155 eV
minimum distance =  2.66861590082228 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 0.6939139587215921
Energy: 0.6179326583629347
Energy: 0.38555215321311304
Energy: 0.3926710748874329
Energy: 0.6185380054621062
Energy: 0.38595913284108047
Energy: 0.39821792955253077
Energy: 0.30959418207664
Energy: 0.31184743084165956
Energy: 0.31060081510400145
Energy: 0.3026510513581605
Energy: 0.3008965072334199
Energy: 0.30262531202125803
Energy: 0.30422885843464703
Energy: 0.3062386084965557
Energy: 0.30330365927252056
Energy: 0.3052259423697169
Energy: 0.3082075181326421
Energy: 0.3028889467790581
Energy: 0.3136343911695392
Energy: 0.31541787196557025
Energy: 0.3033725561033031
Energy: 0.29899227543276824
Energy: 0.3085550094197212
Energy: 0.30167675212951445
Energy: 0.31581508350067383
Energy: 0.30126565480577827
Energy: 0.3086445673446395
Energy: 0.33784883675212724
Energy: 0.3094800097410932
Energy: 0.4095686255575568
Energy: 0.3001115635269519
Energy: 0.30953949883016824
Energy: 0.3244995943898512
Energy: 0.3405655824631664
Energy: 0.2999495664654041
Energy: 0.39716167455071977
Energy: 0.3148184002397116
Energy: 0.3073587215940884
Energy: 0.3064376558667732
Energy: 0.30885442530977514
Energy: 0.3007905308131306
Energy: 0.33934392026072285
Energy: 0.32879370669001334
Energy: 0.32579115734239017
Energy: 0.32426823522848724
Energy: 0.32742240928618666
Energy: 0.32592735418993174
Energy: 0.4128459575381478
Energy: 0.3069364968994512
Energy: 0.31029916881900654
Energy: 0.3226510331152273
Energy: 0.3130245729771057
Energy: 0.32508994515971185
Energy: 0.5396811857795808
Energy: 0.306671348101443
Energy: 0.30028077812132875
Energy: 0.3097521714807089
Energy: 0.2996141263319356
Energy: 0.31670423222230765
Energy: 0.5386608140150988
Energy: 0.2991947362150783
Energy: 0.29961229958835917
Energy: 0.33778602606012753
Energy: 0.3110879923914359
Energy: 0.30153529650240196
Energy: 0.4439980008976935
Energy: 0.29089175586280414
Energy: 0.31153466487152925
Energy: 0.32238167685670593
Energy: 0.28734755203363316
Energy: 0.32543085314923337
Energy: 0.3478547354250868
Energy: 0.30777143199137497
Energy: 0.3198753569247269
Energy: 0.3475016186485837
Energy: 0.28681816146169503
Energy: 0.3195519344279528
Energy: 0.33950023668215784
Energy: 0.3131661586295567
Energy: 0.3209748813870282
Energy: 0.3397612897366366
Energy: 0.3109497308555953
Energy: 0.32169878735307716
Energy: 0.3363954628009745
Energy: 0.4306404137065449
Energy: 0.4287119310022865
Energy: 0.336387679561744
Energy: 0.35694145111745834
Energy: 0.30961161350920635
Energy: 0.5387052400493022
Energy: 0.32080990027648393
Energy: 0.3206839301621763
Energy: 0.31000097386756315
Energy: 0.3288530483504149
Energy: 0.32195113848598483
Energy: 0.4727470428679761
Energy: 0.4001143419673951
Energy: 0.31274497099042364
Energy: 0.37999829693917553
Energy: 0.36347696852832095
Energy: 0.3135281312455058
Energy: 0.5347272472536561
Energy: 0.31317810084152214
Energy: 0.3225750638017105
Energy: 0.3343062447302112
Energy: 0.32693581756526113
Energy: 0.3263044938842501
Energy: 0.5042970460031403
Energy: 0.3244971740275281
Energy: 0.33037924727462
Energy: 0.3124421543656828
Energy: 0.3403252281729731
Energy: 0.3162391377088316
Energy: 0.3970441395286883
Energy: 0.44355728634435065
Energy: 0.323207120633599
Energy: 0.3026720840014597
Energy: 0.35780159666964667
Energy: 0.34113541613910975
Energy: 0.5200063147379007
Energy: 0.32186032694478767
Energy: 0.30986007866579574
Energy: 0.3013997910643101
Energy: 0.32882858667901216
Energy: 0.309009024110857
Energy: 0.43435631209238595
Energy: 0.4024293517150617
Energy: 0.4039170894302958
Energy: 0.4344163022274616
Energy: 0.3949386143796791
Energy: 0.3109759013266855
Energy: 0.31238502083758296
Energy: 0.31856161534426014
Energy: 0.3159299612065443
Energy: 0.31172085487512313
Energy: 0.32795857998591393
Energy: 0.31026655383064056
Energy: 0.31611967907025945
Energy: 0.3065479534011941
Energy: 0.3054650587891077
Energy: 0.3172785930045119
Energy: 0.3035390321904862
Energy: 0.31417498729779675
Energy: 0.4018903602243236
Energy: 0.3064160983752561
Energy: 0.30852991738211005
Energy: 0.31109294414857247
Energy: 0.3033475821895259
Energy: 0.30674869827757656
Energy: 0.5402027951451809
Energy: 0.3175773920233839
Energy: 0.3091283602681174
Energy: 0.34238287742951834
Energy: 0.3121305255471429
Energy: 0.29336408814910997

minimum gb energy = 0.28681816146169503 eV
minimum distance =  2.67852864163888 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 0.6722315767165372
Energy: 0.33460327818871016
Energy: 0.4209872181874674
Energy: 0.4490254619340953
Energy: 0.334656373377698
Energy: 0.44877903480495485
Energy: 0.46754408045853335
Energy: 0.33241242925773296
Energy: 0.3328221809312425
Energy: 0.3364107303323933
Energy: 0.3362576952853188
Energy: 0.3323667671218565
Energy: 0.33464373241076356
Energy: 0.33279836925136486
Energy: 0.322676452077214
Energy: 0.3355957750982699
Energy: 0.33382635898530044
Energy: 0.3230517769282059
Energy: 0.3352423627136884
Energy: 0.34581962483928275
Energy: 0.322388951589731
Energy: 0.335821455817089
Energy: 0.3233457116942423
Energy: 0.32570158507535624
Energy: 0.335558604041514
Energy: 0.35041268132791176
Energy: 0.33765574458084713
Energy: 0.3432905888368495
Energy: 0.3494006603966066
Energy: 0.33008221099115315
Energy: 0.4805163346208114
Energy: 0.33581157364005243
Energy: 0.3406950780283737
Energy: 0.3455097127861042
Energy: 0.3354177643797973
Energy: 0.3476155341349236
Energy: 0.4706167076876248
Energy: 0.34348307371949355
Energy: 0.33334656807480895
Energy: 0.3355119755488136
Energy: 0.3386718991163433
Energy: 0.33054525543679997
Energy: 0.3944934418072566
Energy: 0.37374765449875774
Energy: 0.3739081628299871
Energy: 0.3062133659171198
Energy: 0.3745528021303865
Energy: 0.3051876630978509
Energy: 0.47976472651167945
Energy: 0.34345596870085
Energy: 0.3474723386398256
Energy: 0.34398664071929125
Energy: 0.33631598711460337
Energy: 0.341958523011089
Energy: 0.4697047591681677
Energy: 0.34502405597799374
Energy: 0.34725962039116
Energy: 0.336304966699482
Energy: 0.3421227062218698
Energy: 0.33733730219880753
Energy: 0.4710068803226262
Energy: 0.34799267996922134
Energy: 0.34604836498889074
Energy: 0.34170056050540265
Energy: 0.344955988649128
Energy: 0.34673351487382637
Energy: 0.5357473137962208
Energy: 0.317598829490651
Energy: 0.34597580824636737
Energy: 0.3418289050184165
Energy: 0.3082265411579287
Energy: 0.3379152437349803
Energy: 0.3377517619303263
Energy: 0.3070400352414268
Energy: 0.30643559859085023
Energy: 0.343747885035159
Energy: 0.30761595202332825
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Energy: 0.33562079980813736
Energy: 0.34292870425455596
Energy: 0.33236013219066357
Energy: 0.3367654081384809
Energy: 0.34325361158611883
Energy: 0.33461325172434386
Energy: 0.3744112353105117
Energy: 0.33758093869066735
Energy: 0.3773487288986334
Energy: 0.37472576579098765
Energy: 0.396178734042338
Energy: 0.3754876266638581
Energy: 0.46787199497088383
Energy: 0.34825606718907537
Energy: 0.33107829799203825
Energy: 0.3371216843250969
Energy: 0.3364680134628243
Energy: 0.33448234838699376
Energy: 0.5806292322559694
Energy: 0.3371591744756088
Energy: 0.32377459266168845
Energy: 0.3228785063039357
Energy: 0.33673581802756386
Energy: 0.44311909411417366
Energy: 0.6195966830869786
Energy: 0.3317065394218155
Energy: 0.3315945084917472
Energy: 0.3598341801988511
Energy: 0.334135449113327
Energy: 0.32479247005910394
Energy: 0.3344361640446479
Energy: 0.3338058645580835
Energy: 0.33409967791857703
Energy: 0.335483032350141
Energy: 0.337226424272299
Energy: 0.32215159588296594
Energy: 0.3355013400558432
Energy: 0.32358599775958835
Energy: 0.322662283225123
Energy: 0.33659462406797536
Energy: 0.33750635366960713
Energy: 0.32446340819352143
Energy: 0.3357863810114262
Energy: 0.33621430280474174
Energy: 0.33138160364654706
Energy: 0.3433846121187466
Energy: 0.3370834445842481
Energy: 0.3311711499524922
Energy: 0.4384695484472697
Energy: 0.4137095687356977
Energy: 0.41386014441255364
Energy: 0.42002678004065047
Energy: 0.41377000176094225
Energy: 0.41329238474803315
Energy: 0.47164049608749137
Energy: 0.3450896815867546
Energy: 0.3318645681444442
Energy: 0.34385655410953214
Energy: 0.336280840161083
Energy: 0.3327892093575275
Energy: 0.3585483248861039
Energy: 0.37869672104394764
Energy: 0.37698363741315644
Energy: 0.3588466094441978
Energy: 0.378273916939325
Energy: 0.30498948661346065
Energy: 0.4705911794631451
Energy: 0.3439258988779646
Energy: 0.3347337747019441
Energy: 0.34377529506918103
Energy: 0.33687362001636734
Energy: 0.3300385310505259
Energy: 0.47184903557993607
Energy: 0.3454174960153075
Energy: 0.3461713652347284
Energy: 0.34181728604807865
Energy: 0.3472046154455731
Energy: 0.3465868673604303
Energy: 0.4697954908765716
Energy: 0.34570504835005084
Energy: 0.33733692609192273
Energy: 0.3358604783855134
Energy: 0.3454549484509995
Energy: 0.33685926489584384
Energy: 0.6101674905988491
Energy: 0.3347243095488994
Energy: 0.34495318355128535
Energy: 0.3456673348758845
Energy: 0.3233600739515095
Energy: 0.3462333623198216
Energy: 0.337421376310601
Energy: 0.358052345563827
Energy: 0.35813886743562917
Energy: 0.33769954334223995
Energy: 0.3581992739912811
Energy: 0.4434597907091007
Energy: 0.3364530784159071
Energy: 0.34481212026962166
Energy: 0.33841571174414803
Energy: 0.3368831877524849
Energy: 0.352914158467462
Energy: 0.3396077227318992
Energy: 0.37369024778191773
Energy: 0.3393491391360356
Energy: 0.3574562439430389
Energy: 0.3746292868885746
Energy: 0.3342352800852805
Energy: 0.33643263893116515
Energy: 0.46846060427835223
Energy: 0.33521195659313174
Energy: 0.33295623724188717
Energy: 0.35410543661649757
Energy: 0.33591556436500125
Energy: 0.3351618670028133
Energy: 0.5833679710115833
Energy: 0.34612678616629383
Energy: 0.3242673673096454
Energy: 0.3207275859107337
Energy: 0.34393196490926264
Energy: 0.3245516396094898

minimum gb energy = 0.30498948661346065 eV
minimum distance =  2.67246680312134 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 0.4576415978271069
Energy: 0.41954323099288865
Energy: 0.4072173425419901
Energy: 0.3294235304538688
Energy: 0.7141078226863874
Energy: 0.40663395622608317
Energy: 0.5140733573136931
Energy: 0.3484426755943164
Energy: 0.3623159118536069
Energy: 0.35488629444775266
Energy: 0.3718823926813527
Energy: 0.3636539129147593
Energy: 0.3732165511213815
Energy: 0.3457804909585585
Energy: 0.34165021327621414
Energy: 0.37375477700706705
Energy: 0.34468065487386046
Energy: 0.34107770384293756
Energy: 0.3710582454080034
Energy: 0.34601437949431035
Energy: 0.34513738859338294
Energy: 0.37119177727603214
Energy: 0.34858595260613223
Energy: 0.34526889004153366
Energy: 0.3726593190460383
Energy: 0.34991277780431407
Energy: 0.35637704624579697
Energy: 0.3904925381745828
Energy: 0.35074468752294113
Energy: 0.3607201940746006
Energy: 0.4250984396220924
Energy: 0.3564574850456105
Energy: 0.3504050556821555
Energy: 0.4056094447855727
Energy: 0.3483924407671423
Energy: 0.34803095099980974
Energy: 0.5426980818709539
Energy: 0.35733351171436895
Energy: 0.35564618142198684
Energy: 0.37227000508963254
Energy: 0.3553486817854148
Energy: 0.36183846680606063
Energy: 0.45758018279456475
Energy: 0.3508700285125136
Energy: 0.3281801199348752
Energy: 0.3330523274370813
Energy: 0.3431999693398858
Energy: 0.3297916652823005
Energy: 0.40593574478324196
Energy: 0.35521834207299546
Energy: 0.35755046383931094
Energy: 0.3411336635187814
Energy: 0.34039765944399053
Energy: 0.35592110759377055
Energy: 0.5428423701354236
Energy: 0.3508101237084531
Energy: 0.35776372031992604
Energy: 0.3739461333250183
Energy: 0.3507157918856014
Energy: 0.3578662764380622
Energy: 0.5448495009561581
Energy: 0.3595430710512132
Energy: 0.3566262002090715
Energy: 0.3715386991532241
Energy: 0.35901462704835363
Energy: 0.34576178467648927
Energy: 0.4897063410261988
Energy: 0.3346025930598096
Energy: 0.35289578436425306
Energy: 0.3723418494627886
Energy: 0.334381207682136
Energy: 0.38657403943562374
Energy: 0.37226792821160815
Energy: 0.33803622787392007
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Energy: 0.3337177836228559
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Energy: 0.3481349382579389
Energy: 0.34696103785661364
Energy: 0.37499637750408954
Energy: 0.3472000550948016
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Energy: 0.32833441340384467
Energy: 0.3418554512555374
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Energy: 0.37450465479736994
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Energy: 0.34731164613433824
Energy: 0.3465338698689091
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Energy: 0.3477435785801143
Energy: 0.5422018631951938
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Energy: 0.44104644792967396
Energy: 0.34751298830770777
Energy: 0.3914380354931143
Energy: 0.346645507873332
Energy: 0.5442361231017558
Energy: 0.3904651171547576
Energy: 0.36088542542223256
Energy: 0.3746105927448062
Energy: 0.3919836919047958
Energy: 0.35763780467398676
Energy: 0.3707009820775535
Energy: 0.331840377104362
Energy: 0.32955730397588817
Energy: 0.3605973406902832
Energy: 0.4106442262366502
Energy: 0.37477396124906837
Energy: 0.3496398595642004
Energy: 0.3329223055900216
Energy: 0.330823573675859
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Energy: 0.38208240894305784
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Energy: 0.34534783608185465
Energy: 0.3631647787845917
Energy: 0.3737472110687077
Energy: 0.34585877220374905
Energy: 0.3627829775240906
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Energy: 0.44373712989563685
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Energy: 0.34869728214825774
Energy: 0.3436077914006598
Energy: 0.5133829265034954
Energy: 0.36313374602981485
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Energy: 0.3784937348119512
Energy: 0.3742787547546064
Energy: 0.4573177785000404
Energy: 0.4485824201366807
Energy: 0.33211032137448443
Energy: 0.33022672799070957
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Energy: 0.33240582975986427
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Energy: 0.36189720044671725
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Energy: 0.34618420202073147
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Energy: 0.3729076363699832
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Energy: 0.34665483275252396
Energy: 0.5429535381608955
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Energy: 0.3306521715891882
Energy: 0.3280222408501363
Energy: 0.3497353858734119
Energy: 0.33531805711893303
Energy: 0.3280540441136059
Energy: 0.3444515396643062
Energy: 0.36462506956858964
Energy: 0.36147628939587284
Energy: 0.3448908434194803
Energy: 0.3613727821843688
Energy: 0.35557719887767586
Energy: 0.44074256633449627
Energy: 0.3475747684534446
Energy: 0.34739965106977583
Energy: 0.4399611906570298
Energy: 0.3568461931261632
Energy: 0.34757604527169117
Energy: 0.5115626392725178
Energy: 0.36320673990188246
Energy: 0.36308762617476037
Energy: 0.3402716974067547
Energy: 0.3764894879249639
Energy: 0.3732614736152561
Energy: 0.6794103900468653
Energy: 0.3454894864826042
Energy: 0.3371985655562428
Energy: 0.3325453721922315
Energy: 0.4920076375265751
Energy: 0.3675914847113879

minimum gb energy = 0.32779110258686955 eV
minimum distance =  2.66627384794433 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 0.5541153404471069
Energy: 0.5885188875797015
Energy: 0.3459153379688996
Energy: 0.34575863817421615
Energy: 0.5910136821170235
Energy: 0.3456852888928424
Energy: 0.3997737609482624
Energy: 0.37078556852465205
Energy: 0.370644351562069
Energy: 0.369159122351181
Energy: 0.3709903226174505
Energy: 0.37046445905958086
Energy: 0.40597968282570096
Energy: 0.3384651880299329
Energy: 0.3620010743089709
Energy: 0.36062090332245217
Energy: 0.3392135595865528
Energy: 0.3617173843422814
Energy: 0.4041322808726547
Energy: 0.36346690146058325
Energy: 0.3622042096107331
Energy: 0.3660058917543669
Energy: 0.3627053755202103
Energy: 0.3621413013895658
Energy: 0.399715264010778
Energy: 0.3702498287435842
Energy: 0.3704482433153922
Energy: 0.4003021839720054
Energy: 0.36519618851972757
Energy: 0.37108736948184395
Energy: 0.3994866963668397
Energy: 0.35383804886813786
Energy: 0.37027693839435666
Energy: 0.4002202968938539
Energy: 0.3532512225003182
Energy: 0.37083548216947315
Energy: 0.4508061511514162
Energy: 0.37312471189688357
Energy: 0.37156589588755606
Energy: 0.3396684572096264
Energy: 0.3704304157087847
Energy: 0.370714523690136

minimum gb energy = 0.3384651880299329 eV
minimum distance =  2.70847923209364 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 0.7514628710528242
Energy: 0.6459317665733747
Energy: 0.45698703256065476
Energy: 0.40853115304300264
Energy: 0.644234398745799
Energy: 0.4739257055265369
Energy: 0.41925517663155487
Energy: 0.466967123692143
Energy: 0.3962496692851039
Energy: 0.39647053928178955
Energy: 0.47513208276291286
Energy: 0.3941351273297754
Energy: 0.4789813876389453
Energy: 0.4015317376862432
Energy: 0.40095106019999455
Energy: 0.4573801693228301
Energy: 0.40082342242681074
Energy: 0.3965469169874296
Energy: 0.41948515451038204
Energy: 0.39346346711699853
Energy: 0.41631455782892657
Energy: 0.4188924634545275
Energy: 0.39964353941898256
Energy: 0.41433548217638766
Energy: 0.4301680585091024
Energy: 0.43297584821097684
Energy: 0.43745959797906353
Energy: 0.42903302873070037
Energy: 0.4363771519075403
Energy: 0.4331255299544368
Energy: 0.46440684489876294
Energy: 0.432773340867685
Energy: 0.43287205232348547
Energy: 0.4725729350862196
Energy: 0.43146142318374847
Energy: 0.43249124188457067
Energy: 0.428520024472425
Energy: 0.48154504061868014
Energy: 0.4850230804544343
Energy: 0.43675594979775567
Energy: 0.49484123790210716
Energy: 0.4449788065240103
Energy: 0.5441013902828614
Energy: 0.44251784944979633
Energy: 0.4961636627270183
Energy: 0.4031068234746708
Energy: 0.4290416723384545
Energy: 0.4505789250301673
Energy: 0.45552381382575696
Energy: 0.4710614654838444
Energy: 0.4401689035367105
Energy: 0.4849239136891223
Energy: 0.4949225370806436
Energy: 0.42974352235383084
Energy: 0.539456585450587
Energy: 0.41389609035243147
Energy: 0.4136646614275977
Energy: 0.5387805895738241
Energy: 0.4133533076218483
Energy: 0.41169138451930104
Energy: 0.4922035909722799
Energy: 0.42192797372870816
Energy: 0.4089610876843478
Energy: 0.4939708842478069
Energy: 0.46429670073639284
Energy: 0.4769947066035739
Energy: 0.5074418079968765
Energy: 0.4423702253004523
Energy: 0.4436294670933226
Energy: 0.45837292060615226
Energy: 0.4461599809870411
Energy: 0.4195010388763864
Energy: 0.469292122180852
Energy: 0.4241035261380351
Energy: 0.4225243990692427
Energy: 0.412046571626042
Energy: 0.431149733796571
Energy: 0.44416678787741815
Energy: 0.5369916022581898
Energy: 0.41884506633634
Energy: 0.42032655002970304
Energy: 0.44732163328147495
Energy: 0.4159169718975817
Energy: 0.41563804407091803
Energy: 0.5047466223817489
Energy: 0.4238942008108218
Energy: 0.43977104642656045
Energy: 0.4050365196914708
Energy: 0.4233702087166997
Energy: 0.45638665957589636
Energy: 0.555743891462255
Energy: 0.4215974829104506
Energy: 0.41705899128087537
Energy: 0.5155760207809776
Energy: 0.4386964293092892
Energy: 0.41714198842446426
Energy: 0.5505512707621154
Energy: 0.43654306361665823
Energy: 0.43471291216625885
Energy: 0.514117519807686
Energy: 0.41078972303440925
Energy: 0.4654413123726082
Energy: 0.5355661130397811
Energy: 0.42693511697808567
Energy: 0.43304684672117477
Energy: 0.5218334781600454
Energy: 0.44461792376695813
Energy: 0.4395520271317376
Energy: 0.5626626506739062
Energy: 0.4250428190572366
Energy: 0.4252783544275588
Energy: 0.4130525095000951
Energy: 0.4652451614249569
Energy: 0.4130564864707533
Energy: 0.5160061702258032
Energy: 0.4367548586254521
Energy: 0.429103134038546
Energy: 0.4133521880488372
Energy: 0.44198124658047544
Energy: 0.4128906957855671
Energy: 0.4666681484803307
Energy: 0.44707514795810344
Energy: 0.44612152792204435
Energy: 0.47917431621167395
Energy: 0.4408233367345559
Energy: 0.44188605782607543
Energy: 0.4519079577771867
Energy: 0.47436748178906973
Energy: 0.4679654208201107
Energy: 0.45629293333315085
Energy: 0.46669847879338433
Energy: 0.4672029367903731
Energy: 0.44388540289748313
Energy: 0.43707517204662155
Energy: 0.4599855539257524
Energy: 0.4450308677186689
Energy: 0.4551330351682153
Energy: 0.45732306313828947
Energy: 0.45933040478190157
Energy: 0.40358500324260277
Energy: 0.40345420007920446
Energy: 0.4512502125916614
Energy: 0.4046909102699257
Energy: 0.45119303960485824
Energy: 0.4262337921600402
Energy: 0.42371600659991454
Energy: 0.42352254975281306
Energy: 0.45011250442257916
Energy: 0.4676824110982182
Energy: 0.4238196563796682
Energy: 0.671041641721023
Energy: 0.4619059489366213
Energy: 0.48195489531738633
Energy: 0.3897955519061261
Energy: 0.512049689950269
Energy: 0.40377318847302124
Energy: 0.5777054320755728
Energy: 0.5041824955906236
Energy: 0.4794390606287317
Energy: 0.39002974847478233
Energy: 0.5261911111480795
Energy: 0.41666060771489205
Energy: 0.4362422879403074
Energy: 0.4224994304019599
Energy: 0.4226212821024192
Energy: 0.42537796577712667
Energy: 0.42393457704265736
Energy: 0.42284933142865033
Energy: 0.4319001316531493
Energy: 0.4026915371789366
Energy: 0.4025116911910242
Energy: 0.43269218475001964
Energy: 0.40230577601423717
Energy: 0.4265257642608399
Energy: 0.419577935144907
Energy: 0.433133529998005
Energy: 0.42533582125507546
Energy: 0.42111610316524556
Energy: 0.4665313891751283
Energy: 0.4324433706967992
Energy: 0.4250307516937948
Energy: 0.44270113233905606
Energy: 0.44032594247679036
Energy: 0.43626922399833806
Energy: 0.4528249592295014
Energy: 0.4400444510814417
Energy: 0.43628499114514746
Energy: 0.44272079514916596
Energy: 0.44014023338224684
Energy: 0.4594992449956509
Energy: 0.4832868003465311
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Energy: 0.4365224931503891
Energy: 0.4309917468628223
Energy: 0.4022372443512755
Energy: 0.4797706371386275
Energy: 0.43583362660959557
Energy: 0.601081896927494
Energy: 0.4617704666475038
Energy: 0.46061815044198745
Energy: 0.41094252636553463
Energy: 0.48022759679989846
Energy: 0.4568793056669262
Energy: 0.44896690539405787
Energy: 0.40865937861577545
Energy: 0.4098317443975413
Energy: 0.47453237597108583
Energy: 0.42708168267519525
Energy: 0.43853487590246315
Energy: 0.5001348170269619
Energy: 0.41438900337779583
Energy: 0.4139843167285961
Energy: 0.49860790084087964
Energy: 0.4142844711462909
Energy: 0.44924308186044937
Energy: 0.49846669834591323
Energy: 0.4246301509565353
Energy: 0.4224998060958271
Energy: 0.48194541629646565
Energy: 0.4628269898528027
Energy: 0.4564616484303705
Energy: 0.47018077703932587
Energy: 0.465496950383478
Energy: 0.46517214513834954
Energy: 0.4109224293051903
Energy: 0.4559445506376352
Energy: 0.4658193918067844
Energy: 0.4904458616954229
Energy: 0.4182987812861812
Energy: 0.41659319851156995
Energy: 0.47716482432283697
Energy: 0.41607555273167385
Energy: 0.4164302278399737
Energy: 0.5043092037353916
Energy: 0.42076931123804573
Energy: 0.42212533406339653
Energy: 0.4045441771312353
Energy: 0.42571930343966374
Energy: 0.4222335318094959
Energy: 0.552388137541741
Energy: 0.4211322129038309
Energy: 0.41567077924326257
Energy: 0.4192500442300254
Energy: 0.4187073779882039
Energy: 0.4154273922275009
Energy: 0.5497904614045279
Energy: 0.4550293313961951
Energy: 0.44939157718491635
Energy: 0.5418013346434113
Energy: 0.4106112455694665
Energy: 0.4211492545833315
Energy: 0.5438286651660971
Energy: 0.4364721078463484
Energy: 0.4361148715994276
Energy: 0.5295055288978221
Energy: 0.4104511491468228
Energy: 0.41421043479839775
Energy: 0.5838289872484186
Energy: 0.43688000390133225
Energy: 0.42149179876564724
Energy: 0.44799607808135
Energy: 0.4439065525953762
Energy: 0.42218359091129787
Energy: 0.6475511098574072
Energy: 0.42240440330164275
Energy: 0.4330631968476789
Energy: 0.41864732698884144
Energy: 0.41942956303129003
Energy: 0.43491005150125667
Energy: 0.4557779139923902
Energy: 0.44398334041094795
Energy: 0.44631131200708274
Energy: 0.4397510180649463
Energy: 0.4436588151037005
Energy: 0.4446283339541932
Energy: 0.4493778719959011
Energy: 0.4676246747765389
Energy: 0.4668753033178769
Energy: 0.4680710248765222
Energy: 0.44980970222060235
Energy: 0.4662231587617908
Energy: 0.4528368120922126
Energy: 0.46030270863009676
Energy: 0.46401708619898474
Energy: 0.4538283410604893
Energy: 0.4374328592000876
Energy: 0.4360644749644826
Energy: 0.4454731488965455
Energy: 0.4019959819991385
Energy: 0.41638607928002414
Energy: 0.4440910163595256
Energy: 0.40182287682271295
Energy: 0.4400495671438503
Energy: 0.4790072560853189
Energy: 0.4027538868647245
Energy: 0.40323602678412646
Energy: 0.460896358092466
Energy: 0.40177479345527495
Energy: 0.3959376317143444
Energy: 0.47999748774730744
Energy: 0.4464574132468107
Energy: 0.3952389419897429
Energy: 0.4334017922691822
Energy: 0.5035533885598679
Energy: 0.42700888522969327

minimum gb energy = 0.3897955519061261 eV
minimum distance =  2.60291848987768 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 0.9061207869594072
Energy: 0.4566528334871698
Energy: 0.4418506416610449
Energy: 0.4373680358822542
Energy: 0.5987372691766228
Energy: 0.44824648715605275
Energy: 0.4407638336367397
Energy: 0.42577017561715946
Energy: 0.42639987092148113
Energy: 0.40224233683965055
Energy: 0.42526519229144366
Energy: 0.43380850354788136
Energy: 0.48318202948410355
Energy: 0.4276506974597683
Energy: 0.42793799886293876
Energy: 0.45878434915015104
Energy: 0.4127626150338092
Energy: 0.48840695836823833
Energy: 0.44651257601354444
Energy: 0.4262282634670014
Energy: 0.4624203584031074
Energy: 0.4473829443505938
Energy: 0.4126975005361283
Energy: 0.43108650360413175
Energy: 0.4428986187493101
Energy: 0.43544966795823875
Energy: 0.4414380313012016
Energy: 0.43968369654949147
Energy: 0.4465359806609098
Energy: 0.4346488618428812
Energy: 0.4710891351152411
Energy: 0.4466671700038001
Energy: 0.44664781825950095
Energy: 0.5026075106497916
Energy: 0.4534795537535766
Energy: 0.43540298123781535
Energy: 0.4431077858100395
Energy: 0.4495349403647019
Energy: 0.4512711306314486
Energy: 0.44042919777418216
Energy: 0.4808034940807948
Energy: 0.45101244711015
Energy: 0.7106082315161363
Energy: 0.4744469253769684
Energy: 0.4750205893958368
Energy: 0.3975709116182713
Energy: 0.47500522243679305
Energy: 0.4214349437025069
Energy: 0.5044421211525084
Energy: 0.43898234911708195
Energy: 0.44425043752125354
Energy: 0.45215284052865495
Energy: 0.4398236259267557
Energy: 0.4431047265476681
Energy: 0.47485741101892687
Energy: 0.409300319132723
Energy: 0.4275763171396062
Energy: 0.4787057195997
Energy: 0.41250242062449016
Energy: 0.428292791552286
Energy: 0.4622069520900611
Energy: 0.428672369488186
Energy: 0.43042119932902245
Energy: 0.4663928510498962
Energy: 0.4292386835089221
Energy: 0.4265914296815904
Energy: 0.4570893480573288
Energy: 0.4794709854776723
Energy: 0.4848043458859106
Energy: 0.4138810804077488
Energy: 0.49722379955492363
Energy: 0.4652016887021216
Energy: 0.45731157269548806
Energy: 0.4433386729433236
Energy: 0.47269893191090273
Energy: 0.4272544787694561
Energy: 0.4455059757258367
Energy: 0.4280570974036057
Energy: 0.4279795421281658
Energy: 0.44412034931408906
Energy: 0.44077932725110586
Energy: 0.42409709690877484
Energy: 0.4430004247994076
Energy: 0.4414829478683802
Energy: 0.5288391090987083
Energy: 0.44151366997438835
Energy: 0.441836350648978
Energy: 0.4520220414079688
Energy: 0.44205296433978986
Energy: 0.44810158116308413
Energy: 0.4535541070714699
Energy: 0.4335171918604679
Energy: 0.43758986730817373
Energy: 0.45283220227133064
Energy: 0.4363507873504671
Energy: 0.4471821366080458
Energy: 0.5269124527791167
Energy: 0.39700140394614575
Energy: 0.3969094801332634
Energy: 0.4680081220225748
Energy: 0.397148286388348
Energy: 0.41524441580065774
Energy: 0.5147765293038432
Energy: 0.4398539252544973
Energy: 0.4405697888087593
Energy: 0.46975972134642136
Energy: 0.44001851255146235
Energy: 0.4412734074836142
Energy: 0.5518605562071514
Energy: 0.4318220270755471
Energy: 0.4317111310759202
Energy: 0.44138258043711914
Energy: 0.4365431209399286
Energy: 0.431990531863889
Energy: 0.5514656923057744
Energy: 0.4326744726849989
Energy: 0.4331635924758859
Energy: 0.44023679751378064
Energy: 0.43668266385927207
Energy: 0.4326991984373532
Energy: 0.4347936316284191
Energy: 0.4411048493990197
Energy: 0.441601995358448
Energy: 0.4319159477948827
Energy: 0.4359026434988783
Energy: 0.4400570712023883
Energy: 0.4464131194853548
Energy: 0.43338038593186945
Energy: 0.4519355582883651
Energy: 0.4676622878072997
Energy: 0.43354405447486055
Energy: 0.45287722832851474
Energy: 0.44029280435712265
Energy: 0.4614131334535842
Energy: 0.4382316459222024
Energy: 0.43921896207434147
Energy: 0.43369339417104624
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Energy: 0.4472186641560747
Energy: 0.45100960932145645
Energy: 0.45102615109158317
Energy: 0.4387820252597702
Energy: 0.4733367973576622
Energy: 0.4474888715046383
Energy: 0.42939908047743125
Energy: 0.4488599556218632
Energy: 0.4489846094702766
Energy: 0.4190594203204622
Energy: 0.44802783696974136
Energy: 0.4499459601174356
Energy: 0.5355430864739019
Energy: 0.4865247080676666
Energy: 0.48909740471451146
Energy: 0.396634294892638
Energy: 0.48691006791495467
Energy: 0.4458599550331593
Energy: 0.49832825461882196
Energy: 0.499412932331714
Energy: 0.46296954477505775
Energy: 0.3959963901059391
Energy: 0.508274493567978
Energy: 0.4451229433801503
Energy: 0.4581558517881877
Energy: 0.42202667675716216
Energy: 0.4278985264573325
Energy: 0.4659424185253093
Energy: 0.41833387052041876
Energy: 0.42657834982278753
Energy: 0.4871913818855085
Energy: 0.42674093795285
Energy: 0.42812449103929584
Energy: 0.49741428261521514
Energy: 0.415455734217762
Energy: 0.40467511153248287
Energy: 0.50377464069958
Energy: 0.45438489922709385
Energy: 0.4423903372866871
Energy: 0.4592012835276448
Energy: 0.44227421063143235
Energy: 0.4434510714043546
Energy: 0.45675005345848246
Energy: 0.47428943839577364
Energy: 0.4739056869054077
Energy: 0.42807670674131026
Energy: 0.5307531001809622
Energy: 0.42853477266860945
Energy: 0.4752595519347011
Energy: 0.4432319160451282
Energy: 0.44306521829734297
Energy: 0.43900640077300496
Energy: 0.44459041490346257
Energy: 0.4440477235103944
Energy: 0.5266243522491632
Energy: 0.4433857300963313
Energy: 0.4413291788293408
Energy: 0.4581197361500822
Energy: 0.4430897224426497
Energy: 0.44432553409970044
Energy: 0.5276196855793708
Energy: 0.4507939538192459
Energy: 0.45769887555604266
Energy: 0.45046774617533447
Energy: 0.4587866976876591
Energy: 0.4458779677914058
Energy: 0.5202656264337363
Energy: 0.42304152083163743
Energy: 0.45078895830582055
Energy: 0.4801260136521631
Energy: 0.39595287535742113
Energy: 0.44808906142541444
Energy: 0.5277096410682814
Energy: 0.3967603117359948
Energy: 0.3968188286245588
Energy: 0.5190098721142826
Energy: 0.39700694074203075
Energy: 0.45978926140797843
Energy: 0.45374889798660556
Energy: 0.4255113307207307
Energy: 0.4270650516001585
Energy: 0.41665125103694395
Energy: 0.42463407228929995
Energy: 0.43203824272291286
Energy: 0.5032034298828966
Energy: 0.4596452635730522
Energy: 0.44029426586680703
Energy: 0.385583302785072
Energy: 0.4609479065509467
Energy: 0.4627466902327307

minimum gb energy = 0.385583302785072 eV
minimum distance =  2.61827729988388 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 0.7972026591430006
Energy: 0.5215603989344275
Energy: 0.4652702888867532
Energy: 0.4229581249156014
Energy: 0.522075238721292
Energy: 0.4229011254429695
Energy: 0.3924155626477367
Energy: 0.4419033396256741
Energy: 0.4344796775764676
Energy: 0.3925953600475349
Energy: 0.42003265982394977
Energy: 0.396366084035662
Energy: 0.3920498491831629
Energy: 0.37902461842369994
Energy: 0.3790327565064574
Energy: 0.3920685186225095
Energy: 0.3786349931467087
Energy: 0.3932533194115235
Energy: 0.3920514594246819
Energy: 0.3780653227473576
Energy: 0.3919969541716582
Energy: 0.3920931061578501
Energy: 0.38354076688310695
Energy: 0.39195183770536646
Energy: 0.40100989600097553
Energy: 0.4553881445971313
Energy: 0.43124521406698724
Energy: 0.40099299145579176
Energy: 0.45515677014623146
Energy: 0.4321110217841041
Energy: 0.39890348489608707
Energy: 0.43219106277865404
Energy: 0.4554043646993928
Energy: 0.4552248378381423
Energy: 0.40538212927282896
Energy: 0.45514342029183824
Energy: 0.41235325212546836
Energy: 0.398515839655882
Energy: 0.3993238874920979
Energy: 0.4299055220406322
Energy: 0.3955010430825781
Energy: 0.3991332326775439
Energy: 0.4928355463463846
Energy: 0.3923952503366281
Energy: 0.39302939484066307
Energy: 0.3797364741889894
Energy: 0.3974368022272949
Energy: 0.4168268996840927
Energy: 0.4156742940367024
Energy: 0.3921339894779219
Energy: 0.39194789426234283
Energy: 0.41439702472090595
Energy: 0.3922443544151883
Energy: 0.3918843779427165
Energy: 0.5364834750380445
Energy: 0.39208653470217725
Energy: 0.391219717853719
Energy: 0.5372018205709119
Energy: 0.3914519300078349
Energy: 0.4294884372824766
Energy: 0.45267899548110974
Energy: 0.41405775114459054
Energy: 0.3972805636235283
Energy: 0.3883206561821542
Energy: 0.4304542351564539
Energy: 0.43082880570328086
Energy: 0.495406314402572
Energy: 0.39239310660505616
Energy: 0.39230897598652553
Energy: 0.4118989622863614
Energy: 0.39257174330319977
Energy: 0.3922253611979222
Energy: 0.5328999337803132
Energy: 0.3930323903428546
Energy: 0.40583902019583085
Energy: 0.3780330219676259
Energy: 0.4284191961195988
Energy: 0.40593612405757334
Energy: 0.38198117198044834
Energy: 0.4022908084490527
Energy: 0.4165781365944045
Energy: 0.38940663832701533
Energy: 0.425246089595816
Energy: 0.41923361267388476
Energy: 0.3863537519911193
Energy: 0.45415974607656484
Energy: 0.4554709481563482
Energy: 0.3855440146003326
Energy: 0.45424931307242306
Energy: 0.45544378154618864
Energy: 0.38176498578230056
Energy: 0.42139338490159284
Energy: 0.3842199477229155
Energy: 0.38296832387910124
Energy: 0.39463657499781285
Energy: 0.3854774699069271
Energy: 0.37944586860948204
Energy: 0.38008262994996894
Energy: 0.37953076318566686
Energy: 0.3796391570239651
Energy: 0.42487584398562134
Energy: 0.37945074343202373
Energy: 0.3794714191628031
Energy: 0.3824961163926329
Energy: 0.3793229001056551
Energy: 0.3801674427449628
Energy: 0.4308618234668171
Energy: 0.3795642950258754
Energy: 0.4822517912382158
Energy: 0.3797672699838803
Energy: 0.379563492423287
Energy: 0.42899252212915784
Energy: 0.48512799687984465
Energy: 0.39157235186288697
Energy: 0.5529172907303547
Energy: 0.3797339299732225
Energy: 0.3794714632801791
Energy: 0.39074529471625785
Energy: 0.4360071562522302
Energy: 0.3919137592820155
Energy: 0.37957701832399154
Energy: 0.4148956980306757
Energy: 0.37951603917563304
Energy: 0.41287370067531626
Energy: 0.43384638706113726
Energy: 0.414685138708379
Energy: 0.49248295187844265
Energy: 0.40602354895979353
Energy: 0.4484578100876019
Energy: 0.47787042700767834
Energy: 0.3770030923922004
Energy: 0.44928405614579
Energy: 0.4498616589715547
Energy: 0.37982624609575066
Energy: 0.4147173426073788
Energy: 0.44287325329565486
Energy: 0.3797197137289031
Energy: 0.41657900997789565
Energy: 0.45730765471805845
Energy: 0.37960756203490476
Energy: 0.37969094710539797
Energy: 0.3791673759171753
Energy: 0.45357771806197444
Energy: 0.3795224175085455
Energy: 0.4634518438284102
Energy: 0.3790662895760136
Energy: 0.37933381836617464
Energy: 0.3821064664028738
Energy: 0.3793467017178755
Energy: 0.37899894036802284
Energy: 0.43605916283031493
Energy: 0.38553764656621337
Energy: 0.386047703749409
Energy: 0.42214625034508385
Energy: 0.3858020333492781
Energy: 0.42335552139626337
Energy: 0.4361444166763823
Energy: 0.4223374730050245
Energy: 0.44886464591739156
Energy: 0.40195836305221105
Energy: 0.42199392088560767
Energy: 0.42299180462905606
Energy: 0.42918936526496687
Energy: 0.4418876241809202
Energy: 0.43461314950375707
Energy: 0.4302151498921981
Energy: 0.38474130740542145
Energy: 0.3965945159805084
Energy: 0.4367894310763741
Energy: 0.3930302640745549
Energy: 0.3930086953198507
Energy: 0.4398694781457038
Energy: 0.379231452759408
Energy: 0.3927409423213775
Energy: 0.39176653196690975
Energy: 0.44194830865668716
Energy: 0.43080889576370507
Energy: 0.392397065148775
Energy: 0.42192968047209484
Energy: 0.39226127414457246
Energy: 0.6738949734352763
Energy: 0.47394436784032934
Energy: 0.41799049224432777
Energy: 0.4059721380805573
Energy: 0.4440347467799349
Energy: 0.45317137468167273

minimum gb energy = 0.3770030923922004 eV
minimum distance =  2.59383490978965 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 0.6415867708509279
Energy: 0.4553719291526673
Energy: 0.43314035094203135
Energy: 0.4570915563886582
Energy: 0.4545641500022557
Energy: 0.47811501228136805
Energy: 0.4518587390327565
Energy: 0.4027010078809464
Energy: 0.4034459060588613
Energy: 0.371345083049945
Energy: 0.40308852106016824
Energy: 0.4285134548413701
Energy: 0.4886446506939503
Energy: 0.37222322866791946
Energy: 0.3731584568730006
Energy: 0.430393834205196
Energy: 0.37232975687598
Energy: 0.3735927423843139
Energy: 0.4303572937221461
Energy: 0.37266260545819074
Energy: 0.3725724701158677
Energy: 0.4311618436395018
Energy: 0.3720939341581165
Energy: 0.43103192795856243
Energy: 0.4379122700057214
Energy: 0.4654400911057846
Energy: 0.4240712776143194
Energy: 0.4437954659363222
Energy: 0.46925195300257544
Energy: 0.43104970006628224
Energy: 0.37224200544645636
Energy: 0.4359036467532466
Energy: 0.4347479353883688
Energy: 0.485503907858422
Energy: 0.43500803538513216
Energy: 0.48670520964489017
Energy: 0.44652763521892225
Energy: 0.4412614054762383
Energy: 0.4417201657192598
Energy: 0.43959139336292874
Energy: 0.4430280015989789
Energy: 0.4413147191045118
Energy: 0.412472861531866
Energy: 0.47176556636178446
Energy: 0.4745621287544904
Energy: 0.4562788731864218
Energy: 0.4732709984392696
Energy: 0.45978272916680685
Energy: 0.43743156839372044
Energy: 0.4601317525814699
Energy: 0.4598389841542261
Energy: 0.43659981283425836
Energy: 0.46164206867648105
Energy: 0.45738273094177484
Energy: 0.5732190897615554
Energy: 0.41000149077249365
Energy: 0.4098336019576764
Energy: 0.49444173260717794
Energy: 0.40982548556100024
Energy: 0.41042269923672603
Energy: 0.413200603593555
Energy: 0.40832351073899026
Energy: 0.46862721007125324
Energy: 0.447014719231258
Energy: 0.3883520397489528
Energy: 0.45189408157737154
Energy: 0.34255560055569084
Energy: 0.47087598901003763
Energy: 0.4620648167066489
Energy: 0.3423294501850183
Energy: 0.4623665344709807
Energy: 0.4162350430377571
Energy: 0.34433939298748995
Energy: 0.4397960560030703
Energy: 0.41793971306803496
Energy: 0.4176210405925493
Energy: 0.46449740509860177
Energy: 0.41803166507120393
Energy: 0.414362410801255
Energy: 0.4717270761705819
Energy: 0.4415885632531176
Energy: 0.44375059677885875
Energy: 0.47011147009274173
Energy: 0.4595913019849892
Energy: 0.46048324469230867
Energy: 0.46423399845000524
Energy: 0.46156550720391787
Energy: 0.436512216681215
Energy: 0.46449817011816347
Energy: 0.46389036181106225
Energy: 0.43736799475723304
Energy: 0.43103234183900146
Energy: 0.4345629424644777
Energy: 0.43612585875802923
Energy: 0.4318621788341693
Energy: 0.43266261520917243
Energy: 0.435494867425007
Energy: 0.48009563391053867
Energy: 0.4804655636300248
Energy: 0.4320983090366415
Energy: 0.48148792366083404
Energy: 0.47937445969300574
Energy: 0.4473077183471121
Energy: 0.4193044118317926
Energy: 0.43622655665452986
Energy: 0.44841535424494205
Energy: 0.4456325822627479
Energy: 0.434853571130141
Energy: 0.4617040808017364
Energy: 0.4467974271843626
Energy: 0.4714647358131498
Energy: 0.4373324193250299
Energy: 0.44785681843501024
Energy: 0.466273641671194
Energy: 0.44027287618231564
Energy: 0.44294067541811416
Energy: 0.4759557660609704
Energy: 0.43922903401875674
Energy: 0.4749138517206459
Energy: 0.4417146616043399
Energy: 0.43926764018798037
Energy: 0.4660167935818088
Energy: 0.47239290791329325
Energy: 0.4513901384240566
Energy: 0.447793328067709
Energy: 0.47910281006048944
Energy: 0.5198498111433618
Energy: 0.41008784928707986
Energy: 0.4088833117244518
Energy: 0.44346777184754993
Energy: 0.41073787210660956
Energy: 0.4515169461419095
Energy: 0.4525716041751886
Energy: 0.4037495479846708
Energy: 0.4041039502349027
Energy: 0.37137879895969733
Energy: 0.4451917999948199
Energy: 0.4032481657442819
Energy: 0.37447453521388474
Energy: 0.40553827445841323
Energy: 0.4180566664011514
Energy: 0.4179699558779324
Energy: 0.42484317741880945
Energy: 0.4620030001105957

minimum gb energy = 0.3423294501850183 eV
minimum distance =  2.61438953772688 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 0.7183239748799376
Energy: 0.4114809670122366
Energy: 0.47778231548566985
Energy: 0.47418371642524526
Energy: 0.599361237343119
Energy: 0.3814654226129388
Energy: 0.49021909453455664
Energy: 0.4039671134738028
Energy: 0.37378271012603215
Energy: 0.40734342297982795
Energy: 0.4043263202866933
Energy: 0.3730474244151203
Energy: 0.40452345292000336
Energy: 0.3545848103523096
Energy: 0.3548053453409736
Energy: 2.8372678836892438
Energy: 0.35451245195939657
Energy: 0.3548072899632844
Energy: 0.4037693054874561
Energy: 0.35417051697885665
Energy: 0.3543523334731786
Energy: 0.4040446370658405
Energy: 0.32516428160580335
Energy: 0.41619585843950846
Energy: 0.34619126365299197
Energy: 0.34148194929094544
Energy: 0.34115582187279464
Energy: 0.3466229603690122
Energy: 0.34145285298291445
Energy: 0.34111275531501223
Energy: 0.3564970838091328
Energy: 0.3411004749967791
Energy: 0.3407455300360611
Energy: 0.32604051387911226
Energy: 0.3408072025599295
Energy: 0.3862986980282624
Energy: 0.3895907796496558
Energy: 0.3406005186214968
Energy: 0.3407012435548944
Energy: 0.38750255954268126
Energy: 0.3415955183386901
Energy: 0.3794864721511324
Energy: 0.34217989611260885
Energy: 0.38166817135737996
Energy: 0.4329979991837998
Energy: 0.38257474717583473
Energy: 0.3834054692781794
Energy: 0.43279980804705004
Energy: 0.34140277813570574
Energy: 0.3457687419703884
Energy: 0.37918707242276833
Energy: 0.34239138666795216
Energy: 0.3896211007595468
Energy: 0.3405157535676111
Energy: 0.3407306017341169
Energy: 0.3841103185043702
Energy: 0.3838665392981784
Energy: 0.3407009507624223
Energy: 0.3931457661778122
Energy: 0.34259933082096883
Energy: 0.39543825632712354
Energy: 0.3733188864647662
Energy: 0.3413830289084308
Energy: 0.34131534225973936
Energy: 0.3919602915489524
Energy: 0.3404766592798823
Energy: 0.46659930927443005
Energy: 0.4038848432237478
Energy: 0.40400830245309133
Energy: 0.37351643797001455
Energy: 0.4037049438453257
Energy: 0.40426631020314985
Energy: 0.4274329101486346
Energy: 0.4047744746790084
Energy: 0.4045320846404904
Energy: 0.37242061216257233
Energy: 0.4054688888625411
Energy: 0.40458648796795
Energy: 0.42623507131123833
Energy: 0.40517033380163514
Energy: 0.4051022972916493
Energy: 0.3480101018027874
Energy: 0.4065934390270524
Energy: 0.3726493060661115
Energy: 0.40934838493229686
Energy: 0.4040171780489263
Energy: 0.40343223959713376
Energy: 0.41153348590275696
Energy: 0.40335397450399113
Energy: 0.4295980174810672
Energy: 0.5539060362396253
Energy: 0.4082751360528697
Energy: 0.4058596202919084
Energy: 0.4050443000657661
Energy: 0.4092619110616797
Energy: 0.37379845484201235
Energy: 0.4762284636146954
Energy: 0.40587901547066474
Energy: 0.4530375392693184
Energy: 0.4395513797464364
Energy: 0.406119742095349
Energy: 0.45332614124134574

minimum gb energy = 0.32516428160580335 eV
minimum distance =  2.65728051798424 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 0.48586951134107986
Energy: 0.5671506093566983
Energy: 0.3944494665223651
Energy: 0.47510529599619805
Energy: 2.693473369036971
Energy: 0.45659207581498534
Energy: 0.4520334808118546
Energy: 0.40096823637858586
Energy: 0.38479733088122253
Energy: 0.4194810356883886
Energy: 0.39929129186783807
Energy: 0.3981835702074512
Energy: 0.41588701151022545
Energy: 0.3258299958859289
Energy: 0.36997908204274305
Energy: 0.4156217416985958
Energy: 0.3264459103174753
Energy: 0.36984126454571203
Energy: 0.41873321938194236
Energy: 0.37036437578446746
Energy: 0.3699189562414338
Energy: 0.4018080922606048
Energy: 0.447689997808355
Energy: 0.3697986646413359
Energy: 0.41381305943955143
Energy: 0.3491611657970276
Energy: 0.3495045066710409
Energy: 0.3553902958452955
Energy: 0.350401768081588
Energy: 0.3497689651513277
Energy: 0.43226147213008914
Energy: 0.3481872279832742
Energy: 0.3258213588182648
Energy: 0.3254610348132008
Energy: 0.34820594392455284
Energy: 0.32699936720297235
Energy: 0.3666016023888477
Energy: 0.3523737339960236
Energy: 0.3480796542701518
Energy: 0.3654562492923898
Energy: 0.35047317986096505
Energy: 0.36249115296432244
Energy: 0.3197790171864257
Energy: 0.3125161773795073
Energy: 0.32031986651593797
Energy: 0.32397081518699994
Energy: 0.31194795525631597
Energy: 0.32456451286745513
Energy: 0.3213612834903028
Energy: 0.32706200671719127
Energy: 0.3191853015696675
Energy: 0.32070912043877114
Energy: 0.397278300295907
Energy: 0.31940527528259566
Energy: 0.3192430247734547
Energy: 0.32800851527492864
Energy: 0.32818251727395403
Energy: 0.3191784839654382
Energy: 0.36328348755175505
Energy: 0.32208184856335237
Energy: 0.3540107754607674
Energy: 0.31918703295937983
Energy: 0.3191024113525318
Energy: 0.3613295841273233
Energy: 0.31977029184292244
Energy: 0.3195133789734276
Energy: 0.410651800378929
Energy: 0.3198555149071505
Energy: 0.31961645318883997
Energy: 0.4114412851091741
Energy: 0.3225155211769796
Energy: 0.319233240249521
Energy: 0.4130214316724837
Energy: 0.3215958490845018
Energy: 0.3217324226766359
Energy: 0.357322938851085
Energy: 0.3205123834750894
Energy: 0.3205015285711424
Energy: 0.3487703595357006
Energy: 0.32765020282048424
Energy: 0.3401104668053967
Energy: 0.3494865000249739
Energy: 0.3668653103416615
Energy: 0.3479879621042092
Energy: 0.34852069567215715
Energy: 0.41976841161881345
Energy: 0.42340221897724367
Energy: 0.34822728411974324
Energy: 0.3281388752988195
Energy: 0.3483383875570071
Energy: 0.42825437313437403
Energy: 0.39615687088388885
Energy: 0.3708903566916503
Energy: 0.34966601378849843
Energy: 0.4282383166741455
Energy: 0.3493158938640103
Energy: 0.43695039037667105
Energy: 0.41567530394995517
Energy: 0.41534323859745087
Energy: 0.4383245235690265
Energy: 0.4156969815472662
Energy: 0.34802100958213716
Energy: 0.4368982223319077
Energy: 0.41532705831967276
Energy: 0.41517749136089954
Energy: 0.4171680281867188
Energy: 0.4220489070493106
Energy: 0.3482925847382679
Energy: 5.3034835957327084
Energy: 0.41563133964716653
Energy: 0.3832741332064811
Energy: 5.29147232911742
Energy: 0.4133320740868821
Energy: 0.38496899990422817
Energy: 0.5235033479225703
Energy: 0.3482846357710106
Energy: 0.34819198980949595
Energy: 0.4249641872614273
Energy: 0.34797250068918467
Energy: 0.4243564138701065
Energy: 0.53312149349585
Energy: 0.4156539308481107
Energy: 0.40044133726407866
Energy: 0.4158782446603419
Energy: 0.418876794102537
Energy: 0.399094703159431
Energy: 0.4450534434991012
Energy: 0.41712812586557496
Energy: 0.4681001151947343
Energy: 0.39327944851887353
Energy: 0.42019293921482437
Energy: 0.3697489265090301
Energy: 0.4464417998103983
Energy: 0.4159349257278387
Energy: 0.4153711635693013
Energy: 0.4474878826441137
Energy: 0.41967162299495253
Energy: 0.43199506547578237
Energy: 0.5263799490128407
Energy: 0.3640575479104342
Energy: 0.3867684788718665
Energy: 0.4170708652666848
Energy: 0.44942661184823923
Energy: 0.4152972034893488
Energy: 0.41680171151701295
Energy: 0.32560221538386314
Energy: 0.37078233880774664
Energy: 0.4151790476254444
Energy: 0.32534279684045186
Energy: 0.3704963093768865
Energy: 0.35667022649013386
Energy: 0.3498208143888298
Energy: 0.3506461861262917
Energy: 0.3561488500512544
Energy: 0.3493653962650325
Energy: 0.38391597147046724
Energy: 0.4313900402505409
Energy: 0.3493519170148411
Energy: 0.34884355442067777
Energy: 0.3259185558259558
Energy: 0.37141943204461786
Energy: 0.32629798074563726
Energy: 0.4294491648703723
Energy: 0.34862970066145205
Energy: 0.34873543441142646
Energy: 0.3996435293838081
Energy: 0.3500750736048256
Energy: 0.34829135335436995
Energy: 0.37384787436521205
Energy: 0.34299637967856395
Energy: 0.34917687308054407
Energy: 0.32085042704311434
Energy: 0.3689655551777612
Energy: 0.3207859887498985
Energy: 0.31982363407901476
Energy: 0.312467250045354
Energy: 0.3192871786029561
Energy: 0.3195193330272713
Energy: 0.31194188997341254
Energy: 0.3189735406487955
Energy: 0.3218927143238767
Energy: 0.3301559171505779
Energy: 0.32046267623702573
Energy: 0.32265256356872574
Energy: 0.3418088030999276
Energy: 0.3202443639561884
Energy: 0.32083375673382014
Energy: 0.3283280398627818
Energy: 0.3279215244043291
Energy: 0.3213313226449671
Energy: 0.31925151700256704
Energy: 0.3284755449974669
Energy: 0.395889465926745
Energy: 0.3223334715900123
Energy: 0.3197984323997952
Energy: 0.397012893679881
Energy: 0.3203515546624402
Energy: 0.31946227478012856
Energy: 0.38090833000507296
Energy: 0.3203204497720076
Energy: 0.42012967944654617
Energy: 0.3402937498501105
Energy: 0.3190036851505248
Energy: 0.4218414782565065
Energy: 0.3511786071130052
Energy: 0.32024175839472185
Energy: 0.3668042893683714
Energy: 0.3520518462839896
Energy: 0.32993978758222875
Energy: 0.3759112350480721
Energy: 0.34868303219755514
Energy: 0.31904561658100966
Energy: 0.3484255061414686
Energy: 0.3487546283730849
Energy: 0.3203028310351959
Energy: 0.348403844531978
Energy: 0.3514386104116521
Energy: 0.37094570978392344
Energy: 0.3479851123798371
Energy: 0.3534940696041816
Energy: 0.42454431989630526
Energy: 0.34909041810074115
Energy: 0.43972439183791284
Energy: 0.41893743076852374
Energy: 0.3860986546709712
Energy: 0.42133151629534854
Energy: 0.41810316032356687
Energy: 0.4090184541322305
Energy: 0.46025486504614027
Energy: 0.4261816374558481
Energy: 0.3503604340302361
Energy: 0.34820746471749014
Energy: 0.43810387972099146
Energy: 0.34927150253356115
Energy: 0.40992782977161557
Energy: 0.4184375526094532
Energy: 0.41519900378573465
Energy: 4.9710768192373544
Energy: 0.4174505523051632
Energy: 0.3834938261097995
Energy: 0.44269049877867667
Energy: 0.3478732561740677
Energy: 0.42813994799369015
Energy: 0.4154747818709437
Energy: 0.3489247733691072
Energy: 0.4247660868462842
Energy: 0.5268325559647143
Energy: 0.3866914422215005
Energy: 0.3864290312120746
Energy: 0.4185487352554388
Energy: 0.42025816554826256
Energy: 0.4153203459733631
Energy: 0.4473209542067
Energy: 0.41577666228700244
Energy: 0.4153503359823645
Energy: 0.44846862764863216
Energy: 0.41892731829553775
Energy: 0.43136964339273126

minimum gb energy = 0.31194188997341254 eV
minimum distance =  2.64007965960751 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 0.3944013531502598
Energy: 0.5340048327565355
Energy: 0.39460245475769484
Energy: 0.4133535548055055
Energy: 0.41399056597535666
Energy: 0.47659030878388264
Energy: 0.44719732544967394
Energy: 0.35670922150368456
Energy: 0.38607678337746004
Energy: 0.36040597351793485
Energy: 0.40334486511227047
Energy: 0.3952511425059313
Energy: 0.5049919426343378
Energy: 0.33037705159878583
Energy: 0.3301124358501767
Energy: 0.4225731924042332
Energy: 0.3504990660120815
Energy: 0.37437900396443813
Energy: 0.3606267562634717
Energy: 0.3304785899971419
Energy: 0.3741615292848702
Energy: 0.4090161532787575
Energy: 0.42715532074587054
Energy: 0.3742053809460487
Energy: 0.39739249168704366
Energy: 0.3577949215613058
Energy: 0.35910925356847456
Energy: 0.3981473262514767
Energy: 0.3551385181478058
Energy: 0.3529945031383573
Energy: 0.36059746984139557
Energy: 0.3528028898251227
Energy: 0.33192295081941786
Energy: 0.3114648618296226
Energy: 0.35264644860646854
Energy: 0.3307370540894375
Energy: 0.41585040136206514
Energy: 0.356566168117629
Energy: 0.35632571828506493
Energy: 0.35981304804259595
Energy: 0.35460499412471297
Energy: 0.35889067837736366
Energy: 0.3188316804265519
Energy: 0.3074821654054396
Energy: 0.30826106801184117
Energy: 0.32091145278956595
Energy: 0.3082443364894571
Energy: 0.31974276309003663
Energy: 0.321791173911385
Energy: 0.3209667144833471
Energy: 0.3193665713686638
Energy: 0.32283563513717745
Energy: 0.3679216090512273
Energy: 0.3193378110034582
Energy: 0.3440027358078668
Energy: 0.3106576797446253
Energy: 0.33147897170814805
Energy: 0.3443942670119252
Energy: 0.3102376974322333
Energy: 0.33097105639450114
Energy: 0.37378441834276344
Energy: 0.3042595606289422
Energy: 0.30421692275379325
Energy: 0.34289886091337046
Energy: 0.30457170343605305
Energy: 0.3043086409141495
Energy: 0.3676791935777632
Energy: 0.30882179475941307
Energy: 0.3127459794583148
Energy: 0.3682127293121708
Energy: 0.3091769158776541
Energy: 0.3044897915967727
Energy: 0.3050053803559833
Energy: 0.3285674533249019
Energy: 0.3055083335294797
Energy: 0.30388117880659987
Energy: 0.32757790206810145
Energy: 0.32634401681334857
Energy: 0.3044089858263332
Energy: 0.3615033327958788
Energy: 0.3041438719642543
Energy: 0.3055852117212767
Energy: 0.3670905268142597
Energy: 0.30446114229087623
Energy: 0.3045421872007836
Energy: 0.3585437987920827
Energy: 0.3934092630374274
Energy: 0.30432210591977193
Energy: 0.3543767948512817
Energy: 0.3338464836728408
Energy: 0.3874638713209506
Energy: 0.3191748895368631
Energy: 0.3199327628496957
Energy: 0.36543666786122114
Energy: 0.32512850520840636
Energy: 0.3805817961208687
Energy: 0.3651153772897869
Energy: 0.3262459213406097
Energy: 0.319293916040705
Energy: 0.35638705978302687
Energy: 0.32423813734843765
Energy: 0.31933543945549253
Energy: 0.3825353550572518
Energy: 0.32717928078136516
Energy: 0.319798993678573
Energy: 0.3836601509831171
Energy: 0.3252840787347297
Energy: 0.32050438520071184
Energy: 0.3529781765365287
Energy: 0.3286157953290054
Energy: 0.34342872952280584
Energy: 0.3539283372317276
Energy: 0.4115511710365809
Energy: 0.35309762540959827
Energy: 0.3526961584115738
Energy: 0.3498080968521545
Energy: 0.3395067325765119
Energy: 0.3525033919042915
Energy: 0.31985383858932276
Energy: 0.35355772904935856
Energy: 0.46628787089661267
Energy: 0.8085748281468733
Energy: 0.40564757299504356
Energy: 0.35406556962726143
Energy: 0.415115506282475
Energy: 0.3545906312200012
Energy: 0.39449295851696486
Energy: 0.41589906699050017
Energy: 0.35245726707151587
Energy: 0.3198964872211712
Energy: 2.55708912958646
Energy: 0.35264409790211504
Energy: 0.41311371035635047
Energy: 0.4207843703444272
Energy: 0.4163119643119958
Energy: 0.4138098555401957
Energy: 0.41915264628199983
Energy: 0.4187923690985702
Energy: 6.069264962216011
Energy: 0.3530296388968564
Energy: 0.3882295051241396
Energy: 0.361188698026707
Energy: 0.41284118797255304
Energy: 0.386005749685848
Energy: 3.2798168335952793
Energy: 0.3528316967282395
Energy: 0.3536168668060404
Energy: 3.32649227221577
Energy: 0.35304403090230857
Energy: 0.41973528431899676
Energy: 0.4997473288896881
Energy: 0.4198043656000285
Energy: 0.39846970435547335
Energy: 0.4182473705539513
Energy: 0.417733506941087
Energy: 0.39389709283839486
Energy: 0.4124122687560445
Energy: 0.4183176735674102
Energy: 0.3746768249529927
Energy: 0.33157604109314903
Energy: 0.4179666249000483
Energy: 0.37500934359314736

minimum gb energy = 0.30388117880659987 eV
minimum distance =  2.63330015519413 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 0.35959396640586033
Energy: 0.4801944689696992
Energy: 0.37616337375318687
Energy: 0.3681096935485454
Energy: 0.4710830735173812
Energy: 0.3881282127976477
Energy: 0.39489434879712454
Energy: 0.3462398114660025
Energy: 0.3374772736781219
Energy: 0.3779829729867421
Energy: 0.33839070463188603
Energy: 0.37084715447069966
Energy: 0.45261423243080856
Energy: 0.2924773259429547
Energy: 0.3156628338503336
Energy: 0.3775871380528651
Energy: 0.2949523438014308
Energy: 0.31567406485518734
Energy: 5.686653646500514
Energy: 0.3155731048812598
Energy: 0.31582456713001694
Energy: 5.150517042383039
Energy: 0.36762090278433085
Energy: 0.35293227139846894
Energy: 0.3548204800564734
Energy: 0.33451494863432385
Energy: 0.33460636303853775
Energy: 0.35494469320997835
Energy: 0.33645792684350606
Energy: 0.3415723739675736
Energy: 0.35104883973727335
Energy: 0.345259164781623
Energy: 0.3164028749413502
Energy: 0.32378346090457466
Energy: 0.33870376130290875
Energy: 0.2924307346599605
Energy: 0.3681135908541412
Energy: 0.3349029764304798
Energy: 0.3538075235410278
Energy: 0.34466429567264534
Energy: 0.34625727243941495
Energy: 0.3550256343905167
Energy: 0.30468515593648576
Energy: 0.27808293430400777
Energy: 0.29225881214954125
Energy: 0.3045969160020825
Energy: 0.2780171213109307
Energy: 0.29289413309591156
Energy: 0.3062584653578044
Energy: 0.2924503313578235
Energy: 0.3040151737561672
Energy: 0.3071995345778269
Energy: 0.3399161971060263
Energy: 0.3039559216991355
Energy: 0.3261097640873532
Energy: 0.2862682237493504
Energy: 0.28723899598130925
Energy: 0.3214878398718581
Energy: 0.28793754836819874
Energy: 0.30374381319780736
Energy: 0.3303320526858889
Energy: 0.2852160939575527
Energy: 0.28533871654036397
Energy: 0.27209490719330937
Energy: 0.28500798268209504
Energy: 0.2782162375694158
Energy: 0.3382329698141881
Energy: 0.28517425152712345
Energy: 0.28554072857146884
Energy: 0.32736857365161776
Energy: 0.28925284745264035
Energy: 0.31557597421981687
Energy: 0.27410917187342815
Energy: 0.32848531843892975
Energy: 0.3330596661793105
Energy: 0.2742579178944446
Energy: 0.3295600698579055
Energy: 0.30179671090987986
Energy: 0.2744045784537068
Energy: 0.2882734378857758
Energy: 0.2738425916111176
Energy: 0.27555565825599654
Energy: 0.32045269189723463
Energy: 0.27375256747354426
Energy: 0.29905470135323087
Energy: 0.26894099383777237
Energy: 0.26892233070494875
Energy: 0.2746137337592526
Energy: 0.2700157886312211
Energy: 0.3340386989478301
Energy: 0.33201321603624384
Energy: 0.26843581488385554
Energy: 0.26849490515276
Energy: 0.3246603610501092
Energy: 0.26849516869683143
Energy: 0.26944586927653613
Energy: 0.3276120709991972
Energy: 0.26846882924457366
Energy: 0.2684188818180969
Energy: 0.3183787953863597
Energy: 0.2686270196724356
Energy: 0.2694535328049087
Energy: 0.2686819159440986
Energy: 0.26999693206140657
Energy: 0.2808324050392092
Energy: 0.26876322295350574
Energy: 0.2702297091945163
Energy: 0.27039671267076043
Energy: 0.2685756829386127
Energy: 0.2703036828214844
Energy: 0.2685526983823145
Energy: 0.26965070551084164
Energy: 0.3167573251261506
Energy: 0.2686035699904911
Energy: 0.2687478952284763
Energy: 0.2904166320137694
Energy: 0.3270673440393424
Energy: 0.26867333759958456
Energy: 0.27431525002147417
Energy: 0.3292218406644639
Energy: 0.32640685819878357
Energy: 0.273919306952037
Energy: 0.2739898407505796
Energy: 0.32183402558567015
Energy: 0.2739914135133606
Energy: 0.2874070860893975
Energy: 0.33157170067562985
Energy: 0.2738851284747177
Energy: 0.2739394904203448
Energy: 0.3242605423874879
Energy: 0.2738587518987345
Energy: 0.27448024631435275
Energy: 0.31867853043449224
Energy: 0.2751814288654678
Energy: 0.2754065883885247
Energy: 0.285767216658871
Energy: 0.2758998099880282
Energy: 0.27434304020116584
Energy: 0.28564553860958924
Energy: 0.2750054363235032
Energy: 0.2850911407226876
Energy: 0.2865774101217054
Energy: 0.3301970321955318
Energy: 0.285269014750416
Energy: 0.28563155822315395
Energy: 0.3321731632023722
Energy: 0.3131156228923545
Energy: 0.3083041254978307
Energy: 0.3336806119604594
Energy: 0.3145353422060113
Energy: 0.3432278873286439
Energy: 0.304096010535158
Energy: 0.3045975421199003
Energy: 0.33847693082553293
Energy: 0.689573756756243
Energy: 0.3544789025635461
Energy: 0.3402912037715674
Energy: 0.304189373046011
Energy: 0.3094178282548248
Energy: 0.2754114151479434
Energy: 0.30404632476697957
Energy: 0.2846417976775656
Energy: 0.34766993672892804
Energy: 0.30418388678856834
Energy: 0.3043450312681659
Energy: 0.3432422701995574
Energy: 0.306950299375813
Energy: 0.32419322624006736
Energy: 3.281164470136683
Energy: 0.30375362686983415
Energy: 0.3376837816739338
Energy: 4.614850772328027
Energy: 0.3474880143009775
Energy: 0.33440655484798354
Energy: 0.42056496446672775
Energy: 0.28535493603435036
Energy: 0.30399280299717074
Energy: 0.3346870272817125
Energy: 0.28520518024834773
Energy: 0.30422933759198284
Energy: 0.40109698401367155
Energy: 0.3359522127207332
Energy: 0.35549015733866346
Energy: 0.3350410741377007
Energy: 0.34606022823713883
Energy: 0.3500955566844121
Energy: 0.3541135396459824
Energy: 0.38566948915456944
Energy: 0.3347062675065824
Energy: 0.3282084229564616
Energy: 0.38473378772217565
Energy: 0.3039794739092834
Energy: 0.3676587503009491
Energy: 0.3726676221783253
Energy: 0.3721274840666784
Energy: 0.3676932263307615
Energy: 0.3859138987561347
Energy: 0.3814779626904406
Energy: 6.1835747238351315
Energy: 0.3383407212445621
Energy: 0.3380913400592761
Energy: 0.33695440132983023
Energy: 0.3287677731309535
Energy: 0.3808059157158193
Energy: 0.45241888149703585
Energy: 0.30428382342260485
Energy: 0.3387758398300195
Energy: 0.37670260989489257
Energy: 0.32336197260735156
Energy: 0.3384040641294942
Energy: 0.3949997302935271
Energy: 0.37302831126144953
Energy: 0.3676896787754927
Energy: 0.37734950356710173
Energy: 0.38604498487484445
Energy: 0.369870281663453

minimum gb energy = 0.2684188818180969 eV
minimum distance =  2.64086460832253 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 0.17336600771464858
Energy: 2.431175049352966
Energy: 0.06963100586656422
Energy: 0.07025868946515762
Energy: 11.330036526100798
Energy: 0.17304011296079147
Energy: 0.29701845470196664
Energy: 0.28470439077855325
Energy: 12.202238573498773
Energy: 0.2977328439257358
Energy: 10.583075333601844
Energy: 0.2655824676913949
Energy: 9.708325962626436
Energy: 0.06935669662756454
Energy: 0.06943558150600741
Energy: 10.8477601537495
Energy: 0.06931346265925652
Energy: 0.0699893437391829
Energy: 12.492394820575738
Energy: 0.06932603117278759
Energy: 0.07035825728138786
Energy: 12.923481275605416
Energy: 0.06935456337353701
Energy: 0.09044051135172115
Energy: 0.06948314828738962
Energy: 0.29669958292446635
Energy: 10.521242453187469
Energy: 0.06997331435433533
Energy: 0.277840446612306
Energy: 0.2968479347861598
Energy: 0.06945193319240482
Energy: 0.2765475660952764
Energy: 0.07004225235866156
Energy: 0.07064839943294929
Energy: 0.27662629835519614
Energy: 0.06934020331591641
Energy: 0.2943733979251022
Energy: 12.82896541536881
Energy: 9.50101384835133
Energy: 10.775673591395838
Energy: 0.2632559221524875
Energy: 0.2769513245686145
Energy: 0.30390653986246335
Energy: 0.06942751441107459
Energy: 0.06927487910696838
Energy: 13.547215146959902
Energy: 0.06930649503133877
Energy: 0.06968558289950057
Energy: 0.2699372085144925
Energy: 0.06942761281768613
Energy: 0.07062926651100422
Energy: 0.27810953809572586
Energy: 0.06956093810166666
Energy: 0.09082399127813573
Energy: 0.2037996572525936
Energy: 6.367195792263005
Energy: 0.3076061060206758
Energy: 0.0701052873742402
Energy: 11.29576598593869
Energy: 0.328925472754314

minimum gb energy = 0.06927487910696838 eV
minimum distance =  2.65559363294444 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 0.3603125252345838
Energy: 0.42623476605055094
Energy: 0.3628931882102027
Energy: 0.3316709085902977
Energy: 0.44582302865550555
Energy: 0.33331768811016643
Energy: 0.41955695202944554
Energy: 0.3728765862726852
Energy: 0.3944183172484568
Energy: 0.37474581758817577
Energy: 6.58428631168438
Energy: 0.3850943753094446
Energy: 0.38648335140627427
Energy: 0.3459650521414807
Energy: 0.3461472337268756
Energy: 0.3727560835005574
Energy: 0.34599778139809806
Energy: 0.4005618417068206
Energy: 0.3414076647380979
Energy: 0.3461762892222624
Energy: 0.3461856485919077
Energy: 0.34162101280310414
Energy: 0.3588310207215514
Energy: 0.3844699531592964
Energy: 0.3064843155929403
Energy: 0.38808328818165977
Energy: 0.3874580894183752
Energy: 0.30645684634709097
Energy: 5.274554749281641
Energy: 0.3873336208829844
Energy: 0.2820127247380054
Energy: 0.3720457607293145
Energy: 0.32926366410605984
Energy: 0.3203502842564271
Energy: 1.920159816649047
Energy: 0.33453530509267826
Energy: 0.34103345870036594
Energy: 0.3078939699297005
Energy: 0.30843108370793304
Energy: 0.3533939367702291
Energy: 0.9282661317237284
Energy: 0.35469317663141675
Energy: 0.33973719418291565
Energy: 0.31939488519435616
Energy: 0.319092767678935
Energy: 0.33970357190790734
Energy: 0.30233929207260823
Energy: 0.33167599695011585
Energy: 3.0043839564280153
Energy: 0.3309405277300113
Energy: 0.37543982416628185
Energy: 0.8943205113672413
Energy: 0.28290868768990024
Energy: 0.36931526449783636
Energy: 0.283324334118145
Energy: 0.30801076319562853
Energy: 0.645588449265068
Energy: 0.2833099611325477
Energy: 0.3114305554680432
Energy: 0.3582060502265557
Energy: 0.26676650326499557
Energy: 0.3082578557774299
Energy: 0.2834586608585765
Energy: 0.3033230549650053
Energy: 0.343859336781507
Energy: 0.3024818805786965
Energy: 0.2832599967540386
Energy: 0.3412072411213623
Energy: 0.28388879267847755
Energy: 0.2832522689874915
Energy: 0.3428260922589908
Energy: 0.28400567519614467
Energy: 0.28352395970025224
Energy: 0.29470545445284607
Energy: 0.30317459022659754
Energy: 0.28344165311439246
Energy: 0.29498883142971133
Energy: 0.28387326392681755
Energy: 0.3514190630625141
Energy: 0.2676244203894628
Energy: 0.2674648813282028
Energy: 0.3194277248952102
Energy: 0.2671226300394812
Energy: 0.31786834902064054
Energy: 0.25914633630703654
Energy: 0.26715458031177597
Energy: 0.26699954597426717
Energy: 0.25959025492599636
Energy: 0.26906283701167527
Energy: 0.26703678558747346
Energy: 0.25938762123698855
Energy: 0.3022683347967066
Energy: 0.3030822158564137
Energy: 0.2971044105112466
Energy: 0.31316478021494487
Energy: 0.29542915471858194
Energy: 0.2628396937813428
Energy: 0.3020524049354652
Energy: 0.2595384511558694
Energy: 0.2593241540448858
Energy: 0.3021505874538337
Energy: 0.2592140336216492
Energy: 0.25913183493855546
Energy: 0.2948480962197142
Energy: 0.2595732625334996
Energy: 0.25924131989026633
Energy: 0.29737960728261315
Energy: 0.25959792383173624
Energy: 0.2599708995682474
Energy: 0.25966904494863796
Energy: 0.25963176363323864
Energy: 0.29649093459347514
Energy: 0.25930162252620786
Energy: 0.2945909182581816
Energy: 0.34178437419103913
Energy: 0.25922430620418924
Energy: 0.25926630926796257
Energy: 0.34135171809825093
Energy: 0.26184965792449477
Energy: 0.2590973953449147
Energy: 0.26749859248164853
Energy: 0.2950067583276572
Energy: 0.29541082963660614
Energy: 0.31537103799192484
Energy: 0.3058978294856727
Energy: 0.28604311071959465
Energy: 0.26927099185306463
Energy: 0.2951661140026116
Energy: 0.2966140282293991
Energy: 0.2697286753658572
Energy: 0.2952868399864321
Energy: 0.26708592329885966
Energy: 0.2670045748686785
Energy: 0.3337754705607181
Energy: 0.34028271808944494
Energy: 0.2670643967251758
Energy: 0.318981709067039
Energy: 0.26752324245799675
Energy: 0.26080988884815726
Energy: 0.28406466437126915
Energy: 0.28435193333139835
Energy: 0.2985059559636912
Energy: 0.2839268637041409
Energy: 0.28691205223278693
Energy: 0.2681335113401491
Energy: 0.2832760580330688
Energy: 0.2832474175153676
Energy: 0.2678055765288597
Energy: 0.6745694049824563
Energy: 0.2837638315373277
Energy: 0.30659159227659594
Energy: 0.3088413977546267
Energy: 0.3087930112625957
Energy: 0.3411103169501308
Energy: 0.29661965638711296
Energy: 0.28360134623475697
Energy: 0.3102408068137541
Energy: 0.3088166098826012
Energy: 0.3086878082762478
Energy: 0.31087267958179476
Energy: 0.3199202684041166
Energy: 0.3358435810107173
Energy: 0.29281925288840926
Energy: 0.37577612545029226
Energy: 0.38035575028925855
Energy: 0.2928354550364055
Energy: 0.37013841274002346
Energy: 0.38307758825707244
Energy: 0.2724468986059517
Energy: 0.34008689668996733
Energy: 0.34933840445870834
Energy: 0.3102418137460445
Energy: 0.3397815088035334
Energy: 0.31975558497709305
Energy: 0.3079992788151807
Energy: 0.35414882727436037
Energy: 0.3538975204835956
Energy: 0.30797507963939935
Energy: 0.3555408106663313
Energy: 0.35530069047211416
Energy: 0.30808459797575244
Energy: 0.32946526584458186
Energy: 0.329529497656435
Energy: 0.3097919205598248
Energy: 0.3077345888560676
Energy: 0.34533686688273874
Energy: 0.38701147923001533
Energy: 0.3627751564953617
Energy: 0.3821808882412993
Energy: 0.37581394209010427
Energy: 0.2926168381009656
Energy: 0.3870888413265536
Energy: 0.31988599326244405
Energy: 0.3387279697227219
Energy: 0.3385970124141154
Energy: 0.31993050357581576
Energy: 0.34166713492690437
Energy: 0.3551892088687528

minimum gb energy = 0.2590973953449147 eV
minimum distance =  2.65851366578003 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 0.3729235283247347
Energy: 0.4963556993571733
Energy: 0.4150645387617723
Energy: 0.3645102976320453
Energy: 5.297716222580057
Energy: 0.4148316666528143
Energy: 0.48307221809495
Energy: 0.42903606254015836
Energy: 0.45116092693198473
Energy: 0.43044748624665174
Energy: 0.4265501640571934
Energy: 0.3858209736163021
Energy: 0.43860418334325507
Energy: 0.3882198090095887
Energy: 0.4324517321009589
Energy: 0.43836925892854217
Energy: 0.3848360503404445
Energy: 0.43760355818661495
Energy: 6.159626087994668
Energy: 0.4343266499164412
Energy: 0.43291159910539645
Energy: 5.2917521101035945
Energy: 0.39950098326043815
Energy: 0.43825028752190154
Energy: 0.375334487594296
Energy: 0.44853950937663184
Energy: 0.45109610115394727
Energy: 0.37541080720717857
Energy: 3.922571402202424
Energy: 0.4136860257946999
Energy: 0.3098257661423044
Energy: 0.415871343352787
Energy: 0.3731344706324142
Energy: 0.38291939650527757
Energy: 0.4656045050680752
Energy: 0.3820479997757171
Energy: 0.37480370512025707
Energy: 0.3966366668463816
Energy: 0.3656134463428909
Energy: 0.37545953547591343
Energy: 0.3960891395387393
Energy: 0.36528997830385784
Energy: 0.3833679540425668
Energy: 0.3626510190933685
Energy: 0.35264076613604495
Energy: 0.38385276452577843
Energy: 0.36045629996117173
Energy: 0.36141841564495447
Energy: 0.4089850381319142
Energy: 0.37602391275809244
Energy: 0.39155149005507073
Energy: 0.4174914364232463
Energy: 0.3317398237923449
Energy: 0.3444094810985901
Energy: 0.31029321710249896
Energy: 0.3355608902138248
Energy: 0.3323543594749535
Energy: 0.3104094702498412
Energy: 0.33426418414851145
Energy: 0.3321241041128952
Energy: 0.31033845069891147
Energy: 0.397281677611595
Energy: 0.34270168444919435
Energy: 0.359596370684694
Energy: 0.3339160451343764
Energy: 0.35779230660098355
Energy: 0.3142849487931633
Energy: 0.3537678595293688
Energy: 0.30980975113660597
Energy: 0.31493632436595626
Energy: 0.37728427418049276
Energy: 0.3099518186288083
Energy: 0.3149610400682204
Energy: 0.3603529675164366
Energy: 0.3103479871489591
Energy: 0.3156102694278174
Energy: 0.35783064142123777
Energy: 0.3103366491898296
Energy: 0.31277958545199464
Energy: 0.34991738763891117
Energy: 0.36845207474520825
Energy: 0.357677635085605
Energy: 0.3103348694744914
Energy: 0.3688389464749176
Energy: 0.36295713569404237
Energy: 0.3133508190661327
Energy: 0.31062454908058773
Energy: 0.3359180902823989
Energy: 0.3127924832972259
Energy: 0.31030857968307957
Energy: 0.33473986773629405
Energy: 0.3792517965169454
Energy: 0.3571672634797388
Energy: 0.37854604072504144
Energy: 0.3517341341250682
Energy: 0.327990330494546
Energy: 0.33674580837787826
Energy: 0.35677898044622086
Energy: 0.3462081307936682
Energy: 0.3372028639298038
Energy: 0.3547585702411509
Energy: 0.3293561793601651
Energy: 0.33304147510411
Energy: 0.42174196378512346
Energy: 0.33222303637170075
Energy: 0.3330748381259711
Energy: 0.41349439175581293
Energy: 0.3320938007497205
Energy: 0.3049463402011123
Energy: 0.3876331584828305
Energy: 0.36387964625228075
Energy: 0.364800632380082
Energy: 0.41419852446024663
Energy: 0.36383389874578714
Energy: 0.3328871168466646
Energy: 0.39996721184641965
Energy: 0.4017766879364504
Energy: 0.3326195737842677
Energy: 0.3772928940213766
Energy: 0.3701581421872438
Energy: 0.45213931935659
Energy: 0.40065344985289003
Energy: 0.399558653756596
Energy: 0.44937558868122307
Energy: 0.3827030884690818
Energy: 0.40010338739876267
Energy: 0.43703039036707125
Energy: 0.3702695539466303
Energy: 0.39951130958899406
Energy: 0.4413074047928059
Energy: 0.368485660588035
Energy: 0.39965403913135344
Energy: 0.3994931782287529
Energy: 0.37919640888786393
Energy: 0.4036481005982152
Energy: 0.4185329800164005
Energy: 0.37740518018919106
Energy: 0.44491809691861284

minimum gb energy = 0.3049463402011123 eV
minimum distance =  2.60885582184719 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 0.42638453737819015
Energy: 0.4700164514349004
Energy: 0.48917790321676113
Energy: 0.4172661225848038
Energy: 0.5368895052429067
Energy: 0.4244371239445525
Energy: 0.450346231875483
Energy: 0.4467936545949754
Energy: 0.42959500614666785
Energy: 0.4468054182579665
Energy: 0.4482931215066505
Energy: 0.3964022368191593
Energy: 0.45659195351705417
Energy: 0.4519370128582585
Energy: 0.4521516489601619
Energy: 0.4569605453807092
Energy: 0.452396789466304
Energy: 0.4718604078190084
Energy: 1.0250164207443455
Energy: 0.4530014635944349
Energy: 0.45168019323450614
Energy: 0.4504873739235848
Energy: 0.47170596995163244
Energy: 0.46245855899840743
Energy: 0.3862145624772196
Energy: 0.4294333219416711
Energy: 0.4307582863547501
Energy: 0.38598537343518735
Energy: 0.4481653868755827
Energy: 0.45309521545334314
Energy: 0.34238929039605526
Energy: 0.3670815559083342
Energy: 0.4523128267213696
Energy: 0.4038700443970956
Energy: 0.4213722789519486
Energy: 0.40289868108723453
Energy: 0.38607522499175717
Energy: 0.42935799505696476
Energy: 0.36790355275672476
Energy: 0.3859143317794975
Energy: 0.466641561130266
Energy: 0.36690058925171615
Energy: 0.3875062650000561
Energy: 0.4100767951269311
Energy: 0.40269655556928025
Energy: 0.3882924910182428
Energy: 0.4056157193788151
Energy: 0.4007331180851618
Energy: 0.4210956884922947
Energy: 0.39017525506430334
Energy: 0.38489164428081635
Energy: 0.43589931564052725
Energy: 0.342354395131335
Energy: 0.4021047616606184
Energy: 0.3663837789950155
Energy: 0.3429627388074222
Energy: 0.3426736605649523
Energy: 0.39922153001203803
Energy: 0.34361738787666846
Energy: 0.3421895159117757
Energy: 0.3430157699998942
Energy: 0.3423550304256278
Energy: 0.3982066123939896
Energy: 0.40025578525372996
Energy: 0.34225811418486535
Energy: 0.3635935492766019
Energy: 0.34607047641366573
Energy: 0.37696978508155127
Energy: 0.3471008134359734
Energy: 0.3424660388170682
Energy: 0.40926993121716415
Energy: 0.34254350493566715
Energy: 0.34217102803861016
Energy: 0.3722051100258874
Energy: 0.342190915988291
Energy: 0.3421397870287285
Energy: 0.4349294308005167
Energy: 0.34229342040568106
Energy: 0.3313886086085542
Energy: 0.3734210119051936
Energy: 0.40301141173579597
Energy: 0.3917141015218847
Energy: 0.38772001571643916
Energy: 0.4046867693441301
Energy: 0.33107370093293315
Energy: 0.36744183486476706
Energy: 0.3693363008998402
Energy: 0.3740488958150618
Energy: 0.3881093919123747
Energy: 0.40043452035832516
Energy: 0.9156943857676955
Energy: 0.4357986201627226
Energy: 0.4156585826989576
Energy: 0.4704425913565342
Energy: 0.3529455206571155
Energy: 0.46418924972815506
Energy: 0.4558348860586937
Energy: 0.4152793322815749
Energy: 0.41537874973955663
Energy: 0.45606174099882485
Energy: 0.41836097633974995
Energy: 0.41608899837503743
Energy: 0.45019989418168216
Energy: 0.4468372342021736
Energy: 0.3841285397919413
Energy: 0.3912966710563734
Energy: 0.4490652051428806
Energy: 0.38216352528506914
Energy: 0.3525210366062202
Energy: 0.38909471587531586
Energy: 0.4884804133456486
Energy: 0.41631351897156
Energy: 0.4218492770305199
Energy: 0.4309312612685791
Energy: 0.41711078492695186
Energy: 0.4466871496964258
Energy: 0.42962453882663826
Energy: 0.41697291079106036
Energy: 0.4480968568001598
Energy: 0.3973374555172798
Energy: 0.4571790914371539
Energy: 0.46264623092571755
Energy: 0.4516233827278289
Energy: 0.395111652281874
Energy: 0.47191749024603735
Energy: 0.4297133135021411
Energy: 1.1350464579723543
Energy: 0.45169671026230496
Energy: 0.4516536478890522
Energy: 1.072655986321481
Energy: 0.4655042527464632
Energy: 0.45255499714255454
Energy: 0.3867325787789723
Energy: 0.42889425786293656
Energy: 0.4291760227167161
Energy: 0.38620959288777623
Energy: 0.44807614699343945
Energy: 0.4340898632341281
Energy: 0.3421521374999832
Energy: 0.38978991525042345
Energy: 0.38681770921284336
Energy: 0.4043159918881532
Energy: 0.455057182448893
Energy: 0.3916179953143358
Energy: 0.3860414253343643
Energy: 0.4294074582028862
Energy: 0.4303531752178791
Energy: 0.3859576098998501
Energy: 0.46588966028173356
Energy: 0.3863797353297227
Energy: 0.3874767561377063
Energy: 0.4118311315276192
Energy: 0.4015924777359461
Energy: 0.38754073740251266
Energy: 0.40670494867252177
Energy: 0.40061536063855574
Energy: 0.3866091963175126
Energy: 0.40442525219115943
Energy: 0.37556167086424036
Energy: 0.4378934615128738
Energy: 0.42236931166586833
Energy: 0.4019644203372441
Energy: 0.41630983898353296
Energy: 0.343173054545864
Energy: 0.3426850777835013
Energy: 0.37275132808411365
Energy: 0.34417650767224606
Energy: 0.3422981281168502
Energy: 0.3433377098439064
Energy: 0.34251640869320427
Energy: 0.3424585035892129
Energy: 0.399844170356845
Energy: 0.3423588224683737
Energy: 0.3628491817763664
Energy: 0.34237839501988676
Energy: 0.3769919234585222
Energy: 0.342492607347196
Energy: 0.34242880253723423
Energy: 0.4098367211503408
Energy: 0.3424210412223279
Energy: 0.3459155654827031
Energy: 0.3719592851442706
Energy: 0.34231457635095475
Energy: 0.3428809921821143
Energy: 0.4344388480262597
Energy: 0.3422916253849067
Energy: 0.33155878009596035
Energy: 0.3729240437017429
Energy: 0.3716713293787653
Energy: 0.3928248686514138
Energy: 0.3729561036470723
Energy: 0.3326043476430697
Energy: 0.33154183026261025
Energy: 0.36735935157806976
Energy: 0.3690807096065582
Energy: 0.4066810984459554
Energy: 0.3882684923167068
Energy: 0.4011455924629754
Energy: 0.46742499898018797
Energy: 0.35376611437085015
Energy: 0.41099473361638184
Energy: 0.4683381940922819
Energy: 0.35287326669619457
Energy: 0.42989070880053215
Energy: 0.45607787103596575
Energy: 0.4155724963778568
Energy: 0.4155383892442974
Energy: 0.4565689990731056
Energy: 0.3915251518612172
Energy: 0.38591884072744725
Energy: 0.45020290044798195
Energy: 0.3855456006447251
Energy: 0.38228400829524556
Energy: 0.3910304789816925
Energy: 0.38641081057168214
Energy: 0.3835652915024006
Energy: 0.3525054355677448
Energy: 0.3893012342019346
Energy: 0.48777899034952876
Energy: 0.4164077875029258
Energy: 0.43239093879226986
Energy: 0.4308466620695967

minimum gb energy = 0.33107370093293315 eV
minimum distance =  2.61265888200462 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 0.6176310933618323
Energy: 0.6307501357970362
Energy: 0.5211351444983578
Energy: 0.45871561914388853
Energy: 0.6302825958790297
Energy: 0.5199462548573666
Energy: 0.4935361603372248
Energy: 0.4711502661225263
Energy: 0.39457851251212794
Energy: 0.414853499277738
Energy: 0.4719152579241531
Energy: 0.3948832328006334
Energy: 0.9416986600848849
Energy: 0.44966407762743826
Energy: 0.4482345268460694
Energy: 0.4694271077461866
Energy: 0.4890136216529463
Energy: 0.48362946948686747
Energy: 0.4132634471957891
Energy: 0.48887339240049404
Energy: 0.45020258407422337
Energy: 0.4442486376522462
Energy: 0.3990435107965657
Energy: 0.4890537058522904
Energy: 0.3992325080387899
Energy: 0.4704532622228943
Energy: 0.47182970983912775
Energy: 0.4004647707969632
Energy: 0.40071457813397343
Energy: 0.41575167503778915
Energy: 0.45235612158455274
Energy: 0.43723965867513465
Energy: 0.4492073552554086
Energy: 0.468667577174111
Energy: 0.5040831751823173
Energy: 0.4489536472148462
Energy: 0.39876462983022143
Energy: 0.38775916281083816
Energy: 0.388698833767098
Energy: 0.39915120968647805
Energy: 0.4531284095541926
Energy: 0.40227385400270116
Energy: 0.39859399196507544
Energy: 0.3876867096029231
Energy: 0.3880880449349004
Energy: 0.3994898347538229
Energy: 0.4439035536214864
Energy: 0.3987176295176818
Energy: 0.5098714318682012
Energy: 0.4098717799095873
Energy: 0.40881256939289456
Energy: 0.37438332455923823
Energy: 0.40960046507054787
Energy: 0.38752605766382736
Energy: 0.4469116988623816
Energy: 0.4179053766849761
Energy: 0.4031972626863298
Energy: 0.42667595951492837
Energy: 0.40093958757978404
Energy: 0.4043799814892354
Energy: 0.5057501091931891
Energy: 0.40424633324837467
Energy: 0.40613410711146536
Energy: 0.47269234929321224
Energy: 0.37392800153466055
Energy: 0.3995770304843246
Energy: 0.46902745759644876
Energy: 0.46021215476840993
Energy: 0.3740568106992796
Energy: 0.40380434489949424
Energy: 0.4600216591782645
Energy: 0.4122108110767263
Energy: 0.4938205735705559
Energy: 0.414344931857061
Energy: 0.39454764936911135
Energy: 0.414157828639039
Energy: 0.4716984518164618
Energy: 0.43559146175478647
Energy: 0.3746516917134042
Energy: 0.4355675486001057
Energy: 0.5190215987363956
Energy: 0.45613696969562284
Energy: 0.5017671099896689
Energy: 0.5185708727161291

minimum gb energy = 0.37392800153466055 eV
minimum distance =  2.60964402030952 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 0.7296564271408875
Energy: 0.5984462566839803
Energy: 0.5143873110422864
Energy: 0.5109481415358637
Energy: 0.5308163760280699
Energy: 0.48406613072025056
Energy: 0.5659722938726989
Energy: 0.46401305086627614
Energy: 0.45924217657446814
Energy: 0.4640256277766972
Energy: 0.45988593991006305
Energy: 0.4646591584881137
Energy: 0.573079029692764
Energy: 0.5288129880745676
Energy: 0.48396989359242404
Energy: 0.5189671553465856
Energy: 0.5300274916209302
Energy: 0.4607934405544652
Energy: 0.5010546850040497
Energy: 0.47060631636236616
Energy: 0.459572349119469
Energy: 0.4736102107074158
Energy: 0.446389222579318
Energy: 0.4627416241333861
Energy: 0.5115186815122358
Energy: 0.45495372471376877
Energy: 0.4601852146204328
Energy: 0.47281304602418717
Energy: 0.4552800285747463
Energy: 0.4601244578154414
Energy: 0.4506291884690597
Energy: 0.4557481820118208
Energy: 0.4552246328254127
Energy: 0.4594878414592398
Energy: 0.4558086489216315
Energy: 0.4547620762395891
Energy: 0.45300776462807907
Energy: 0.45790960401343866
Energy: 0.45524894327768883
Energy: 0.45304178435220255
Energy: 0.4545835080071167
Energy: 0.45536310179844375
Energy: 0.461957063587572
Energy: 0.46437644454415233
Energy: 0.46119423937108656
Energy: 0.45135729212472053
Energy: 0.4593844041535719
Energy: 0.46295394694597425
Energy: 0.43737842127938825
Energy: 0.4629373932271292
Energy: 0.4610669245436965
Energy: 0.5028729739629391
Energy: 0.46422523069658694
Energy: 0.45368779682845173
Energy: 0.4507257448760958
Energy: 0.4607595487964156
Energy: 0.45917770517693896
Energy: 0.5021848468157092
Energy: 0.48848479334413514
Energy: 0.4534297818628701
Energy: 0.45091633583609214
Energy: 0.47455691268929306
Energy: 0.4654475848423378
Energy: 0.45457730874232094
Energy: 0.47504617582928255
Energy: 0.4627621581329778
Energy: 0.627579092442218
Energy: 0.47363640204166924
Energy: 0.502460233605017
Energy: 0.4967599635878757
Energy: 0.5280471341680081
Energy: 0.5085688083369307
Energy: 0.4539878293372083
Energy: 0.4655820239115616
Energy: 0.4772531423111949
Energy: 0.45542176035065507
Energy: 0.4634773789547588
Energy: 0.4638723801102838
Energy: 0.4383226319132413
Energy: 0.5163719585516133
Energy: 0.4726761074091892
Energy: 0.4846468283464585
Energy: 0.5141863601860195
Energy: 0.4715880515170949
Energy: 0.44330651829455
Energy: 0.4490491614786369
Energy: 0.46553864926822963
Energy: 0.44750148357362035
Energy: 0.4726690546944964
Energy: 0.4744017403758269
Energy: 0.448981246833818
Energy: 0.4466062424447034
Energy: 0.44832933672959047
Energy: 0.4491602440331226
Energy: 0.45707845693621596
Energy: 0.4457420023608273
Energy: 0.4442002828221229
Energy: 0.4467416700033797
Energy: 0.46917440193387766
Energy: 0.4428351521659303
Energy: 0.4465613601693763
Energy: 0.4641590513528345
Energy: 0.5965867626373552
Energy: 0.4884157846020183
Energy: 0.4635970474520223
Energy: 0.47137001029658737
Energy: 0.48513593180140724
Energy: 0.4538897337966937
Energy: 0.4793708161536205
Energy: 0.46353187801724527
Energy: 0.4543557400219197
Energy: 0.4753244939598006
Energy: 0.4655967073577389
Energy: 0.47460222257022555
Energy: 0.5918280503043671
Energy: 0.5555967143924547
Energy: 0.4529783056662126
Energy: 0.45695974409604107
Energy: 0.555658885086696
Energy: 0.45109727757707185
Energy: 0.48812617502949857
Energy: 0.45199113323505247
Energy: 0.5017659696898057
Energy: 0.4569243962073285
Energy: 0.4501484753708159
Energy: 0.46532871742427306
Energy: 0.47393186193851466
Energy: 0.4607469106479508
Energy: 0.4609188607554569
Energy: 0.45466611393997364
Energy: 0.46144605787052834
Energy: 0.4614365497112989
Energy: 0.4395120765755973
Energy: 0.4592035007968739
Energy: 0.4779685393811775
Energy: 0.5295974899627552
Energy: 0.49069644386267663
Energy: 0.46324213103474393
Energy: 0.5109424095597679
Energy: 0.4731786900074267
Energy: 0.4742029614762017
Energy: 0.464984801971482
Energy: 0.47544936598215626
Energy: 0.47308177853549077
Energy: 0.4880505096488778
Energy: 0.4636967550090739
Energy: 0.4596346423857898
Energy: 0.48392384552121914
Energy: 0.45890278445309035
Energy: 0.45805957334389413
Energy: 0.5265874732643284
Energy: 0.45069776184532706
Energy: 0.46369474555638046
Energy: 0.482458145479928
Energy: 0.4423595910108374
Energy: 0.4716806348470872
Energy: 0.5503400151283934
Energy: 0.44374591337447433
Energy: 0.444527207923369
Energy: 0.44692895312594894
Energy: 0.4443955796089141
Energy: 0.4472514839465642
Energy: 0.5169710632968109
Energy: 0.44715778258827454
Energy: 0.44667033630856834
Energy: 0.4657848935815135
Energy: 0.447154452383133
Energy: 0.4772631936967271
Energy: 0.5523843917783738
Energy: 0.4611951097466445
Energy: 0.46282880999560394
Energy: 0.5325100497183732
Energy: 0.46449902005947247
Energy: 0.46341569845292746
Energy: 0.5668419340951344
Energy: 0.45800467327131184
Energy: 0.46377029448068396
Energy: 0.4555172588281429
Energy: 0.45822279588175874
Energy: 0.4769038644768812
Energy: 0.43915749840733836
Energy: 0.4759747997121417
Energy: 0.5127383713124241
Energy: 0.5547784590266776
Energy: 0.4573548697231554
Energy: 0.46934814867818603

minimum gb energy = 0.43737842127938825 eV
minimum distance =  2.63623195688403 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 0.6400321055749182
Energy: 0.6871426310920477
Energy: 0.539343406753157
Energy: 0.5395635714624867
Energy: 0.6830375029970251
Energy: 0.5408152416693777
Energy: 0.5406767957409383
Energy: 0.4584075520557062
Energy: 0.46138781178210947
Energy: 0.45864418065716667
Energy: 0.46015952586151887
Energy: 0.4614372954162868
Energy: 0.4915177608036407
Energy: 0.4532261976106659
Energy: 0.45161760710344095
Energy: 0.49463031051057976
Energy: 0.4523396059400064
Energy: 0.4609679397044356
Energy: 0.49350224068008147
Energy: 0.45839840557241535
Energy: 0.4627569045029761
Energy: 0.46353332865493146
Energy: 0.45160962614988903
Energy: 0.46217407702881474
Energy: 0.47332133083975864
Energy: 0.4594440740249958
Energy: 0.46247119916485574
Energy: 0.4754609314453356
Energy: 0.46088731171497815
Energy: 0.4630069313360839
Energy: 0.49432316880583327
Energy: 0.49659217778986126
Energy: 0.4977184542477881
Energy: 0.45796793175164047
Energy: 0.4929331197860341
Energy: 0.5029109793348203
Energy: 0.49296632151778524
Energy: 0.5008004479416824
Energy: 0.44460510063929404
Energy: 0.49501769377676025
Energy: 0.4956776551382596
Energy: 0.5014543388864918
Energy: 0.5415091325154288
Energy: 0.47754019180609625
Energy: 0.4623049900787538
Energy: 0.4602768272176532
Energy: 0.4734098177445565
Energy: 0.4626638710863067
Energy: 0.4376414029646801
Energy: 0.4601262620175981
Energy: 0.4383415708967761
Energy: 0.4377454000121608
Energy: 0.4970715611793599
Energy: 0.4386351922273757
Energy: 0.4376250151598031
Energy: 0.4596573119131177
Energy: 0.438458509396955
Energy: 0.4375603864595522
Energy: 0.49593135286393264
Energy: 0.4383590618399881
Energy: 0.5409376428570777
Energy: 0.47799063982950085
Energy: 0.4611725647351384
Energy: 0.46015840279822856
Energy: 0.4762272762708984
Energy: 0.46261087242278764
Energy: 0.659741635255147
Energy: 0.5203567322309172
Energy: 0.4931382695656321
Energy: 0.6630484270367725
Energy: 0.5205010638752073
Energy: 0.5016750691917969
Energy: 0.4746130511520839
Energy: 0.4580057493474881
Energy: 0.4593153920236395
Energy: 0.46002414020821025
Energy: 0.4586349371137444
Energy: 0.46175571184163966
Energy: 0.494441840543947
Energy: 0.4991151337378238
Energy: 0.5016275482842735
Energy: 0.49537018337104227
Energy: 0.4952949258152064
Energy: 0.5047872745921795
Energy: 0.49208031478992537
Energy: 0.43789133604481084
Energy: 0.46278170618654946
Energy: 0.4747622215127166
Energy: 0.43756632130575523
Energy: 0.4625255707874362
Energy: 0.49187703480919615
Energy: 0.4372329719830343
Energy: 0.4378263574494524
Energy: 0.4955111176223317
Energy: 0.4372002813480045
Energy: 0.46011643819440573
Energy: 0.43712176491067106
Energy: 0.4576169380481288
Energy: 0.4610091390436907
Energy: 0.43836370146262016
Energy: 0.45940181640118255
Energy: 0.45827565710902124

minimum gb energy = 0.43712176491067106 eV
minimum distance =  2.68792236215395 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 0.7885284781974315
Energy: 0.5182381590059414
Energy: 0.5404123148449194
Energy: 0.6252118369907783
Energy: 0.7205522390122944
Energy: 0.5411702235935669
Energy: 0.5660591530581647
Energy: 0.4989169559578726
Energy: 0.49610632566258445
Energy: 0.489547354237994
Energy: 0.4957522251865309
Energy: 0.4938062766700367
Energy: 0.5482226374649215
Energy: 0.5007880763771086
Energy: 0.5303596785048057
Energy: 0.5301907265359821
Energy: 0.49885816155134816
Energy: 0.5311012238294104
Energy: 0.5208443676972581
Energy: 0.497905627185766
Energy: 0.500057694147294
Energy: 0.5151909348532316
Energy: 0.5082752134171407
Energy: 0.5026734825052931
Energy: 0.5034656106728048
Energy: 0.49758312087942863
Energy: 0.49611100840611805
Energy: 0.48235971232575
Energy: 0.4995614281873041
Energy: 0.4874979276597683
Energy: 0.5017303793501725
Energy: 0.48961833602796706
Energy: 0.4876310218258044
Energy: 0.49139725647270716
Energy: 0.49173916729717443
Energy: 0.4879920115702975
Energy: 0.5480723858385266
Energy: 0.509117348913109
Energy: 0.5392969252305888
Energy: 0.5678473897534565
Energy: 0.5068505589458501
Energy: 0.557301833846835
Energy: 0.5134826001291324
Energy: 0.49030191560492187
Energy: 0.48778201124548126
Energy: 0.5095177534738925
Energy: 0.502456203846693
Energy: 0.48887896796717845
Energy: 0.573842437879789
Energy: 0.526294844369201
Energy: 0.5191749524911417
Energy: 0.4991255424230866
Energy: 0.5234723668604151
Energy: 0.5116519433248691
Energy: 0.5747085301650564
Energy: 0.49500032572001856
Energy: 0.49877890415920617
Energy: 0.4871307556793361
Energy: 0.5006612163898143
Energy: 0.4831686323114492
Energy: 0.513478767387923
Energy: 0.4815096740070556
Energy: 0.4817956077095129
Energy: 0.509754803556899
Energy: 0.4805407602145316
Energy: 0.482231626491289
Energy: 0.5139746688986461
Energy: 0.49285124300673344
Energy: 0.4929572432332639
Energy: 0.5168343181554014
Energy: 0.48426351586954314
Energy: 0.4964638085684112
Energy: 0.5829166207083151
Energy: 0.5181188177768297
Energy: 0.5043955626777087
Energy: 0.5061019951640617
Energy: 0.5143526012130982
Energy: 0.4907066037732568
Energy: 0.5674605551231773
Energy: 0.5086138831512143
Energy: 0.49575247183107246
Energy: 0.4863240670344694
Energy: 0.5086309176557483
Energy: 0.4952296886903424
Energy: 0.5231191474676402
Energy: 0.4811901605113694
Energy: 0.4806474943012445
Energy: 0.5235128621693369
Energy: 0.4848632843575925
Energy: 0.4847037636898548
Energy: 0.5147469348244591
Energy: 0.52460783409058
Energy: 0.5337664926358227
Energy: 0.5171210190778668
Energy: 0.53292655916346
Energy: 0.5231197436603116
Energy: 0.5172898634187783
Energy: 0.4977744190855562
Energy: 0.49801532871598697
Energy: 0.4951796783227403
Energy: 0.49992681260939764
Energy: 0.4930602771264335
Energy: 0.5431669456940725
Energy: 0.5134162957311039
Energy: 0.5130792059781528
Energy: 0.4996198917067674
Energy: 0.5139456711521488
Energy: 0.5122549387570215
Energy: 0.5466493926772406
Energy: 0.49036179181599543
Energy: 0.4923454411161526
Energy: 0.5254050309948313
Energy: 0.4897462795106607
Energy: 0.5050621198291071
Energy: 0.5510210707742169
Energy: 0.4904634013848072
Energy: 0.4926721022186445
Energy: 0.507109886447392
Energy: 0.4894943659339833
Energy: 0.4946265739806981
Energy: 0.546390824660321
Energy: 0.5038977032204981
Energy: 0.5023406997003398
Energy: 0.49637876145086074
Energy: 0.5025077223782726
Energy: 0.4872867390954868

minimum gb energy = 0.4805407602145316 eV
minimum distance =  2.62192976868239 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 0.6263674576794456
Energy: 0.69153532484593
Energy: 0.481797147432661
Energy: 0.47498812949060687
Energy: 0.6318188632132506
Energy: 0.4717323379803915
Energy: 0.5692243527482063
Energy: 0.507887518331149
Energy: 0.5085084038778758
Energy: 0.5488066414860284
Energy: 0.549656674325457
Energy: 0.5235574914279374
Energy: 0.5819196421538774
Energy: 0.4835938858390347
Energy: 0.4947289552431135
Energy: 0.5160401446505197
Energy: 0.4588950384193726
Energy: 0.4936670269998856
Energy: 0.5553344183425821
Energy: 0.4865263516903695
Energy: 0.48826738446113277
Energy: 0.5135828529171954
Energy: 0.522567248020933
Energy: 0.4891022140816943
Energy: 0.466019731694584
Energy: 0.5369305969437796
Energy: 0.53600636214637
Energy: 0.4607544523782673
Energy: 0.5364928856118275
Energy: 0.53507925552039
Energy: 0.4983541672561159
Energy: 0.5002472044617592
Energy: 0.49917060726080276
Energy: 0.48443530853920636
Energy: 0.497079892596547
Energy: 0.49716715314755255
Energy: 0.5568077674637534
Energy: 0.47502155899035886
Energy: 0.4756824903876912
Energy: 0.5485942730499542
Energy: 0.47514434526300064
Energy: 0.47556494859179876
Energy: 0.5331041454468799
Energy: 0.48056943797902774
Energy: 0.5048483089001685
Energy: 0.49391554732367854
Energy: 0.47648290299361135
Energy: 0.49949818787685424
Energy: 0.5897585332110068
Energy: 0.4672532437107881
Energy: 0.47265148949466346
Energy: 0.4890162391293204
Energy: 0.5282028403111942
Energy: 0.4733798651795997
Energy: 0.5796156016106124
Energy: 0.44698201888101713
Energy: 0.47278457040353206
Energy: 0.47827763657402045
Energy: 0.47137914842342693
Energy: 0.4732654415165481
Energy: 0.4955872279150182
Energy: 0.47790527904089436
Energy: 0.47442668844441493
Energy: 0.4618092778493807
Energy: 0.4605503653865529
Energy: 0.4697596728975923
Energy: 0.4963067535015247
Energy: 0.4356985626554004
Energy: 0.4374757694907643
Energy: 0.4829564048081016
Energy: 0.4367466134602579
Energy: 0.4382479132602849
Energy: 0.4301064977088673
Energy: 0.439237277610435
Energy: 0.4372010007340399
Energy: 0.4334242484303969
Energy: 0.4631627317156318
Energy: 0.437082993036663
Energy: 0.43018882364611677
Energy: 0.4407728259987114
Energy: 0.4400036678219223
Energy: 0.4365263261770568
Energy: 0.46116396633799933
Energy: 0.4401576192294682
Energy: 0.49371497572230766
Energy: 0.44202681825037127
Energy: 0.4455489575015225
Energy: 0.48079688434889895
Energy: 0.43818903276692767
Energy: 0.4394472097904119
Energy: 0.5615141881848406
Energy: 0.49806184127319814
Energy: 0.49732124155989077
Energy: 0.5866516807528777
Energy: 0.4392093070274441
Energy: 0.5032857383368043
Energy: 0.4670029591324261
Energy: 0.46961967843926583
Energy: 0.4694628576889754
Energy: 0.46956891771454345
Energy: 0.46805699803097767
Energy: 0.4681034209627248
Energy: 0.510453453526256
Energy: 0.49113776734791226
Energy: 0.4845451214485395
Energy: 0.48820690460164134
Energy: 0.48707182280662614
Energy: 0.48461617954951053
Energy: 0.5394983983866424
Energy: 0.4775270543235994
Energy: 0.4779878886044219
Energy: 0.4954498518942306
Energy: 0.4756279952630104
Energy: 0.47444961854908496
Energy: 0.5567909990885231
Energy: 0.47640875237545016
Energy: 0.47781369448699623
Energy: 0.5016079679655561
Energy: 0.4746353070719225
Energy: 0.4751613139677188
Energy: 0.5848669901019635
Energy: 0.4857126542693349
Energy: 0.4870347335621116
Energy: 0.48436641122082674
Energy: 0.5411772390069544
Energy: 0.4861165784012346
Energy: 0.46528537167999534
Energy: 0.5443796234690814
Energy: 0.48961500666703256
Energy: 0.45888264783155563
Energy: 0.5438756983863455
Energy: 0.4915135157878637
Energy: 0.5814651276518954
Energy: 0.49389681478864694
Energy: 0.4946519271041179
Energy: 0.4976290059142113
Energy: 0.494979338194455
Energy: 0.49758813222563814
Energy: 0.5842092397439008
Energy: 0.48610891852492644
Energy: 0.49027287917705786
Energy: 0.5172745973184025
Energy: 0.4832149308125073
Energy: 0.48976357118222186
Energy: 0.511511892681784
Energy: 0.5408156921434928
Energy: 0.5389071655137307
Energy: 0.45976964019137173
Energy: 0.5426895692213702
Energy: 0.48620144363226586

minimum gb energy = 0.4301064977088673 eV
minimum distance =  2.62041963484403 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 0.5303654015424338
Energy: 0.6586660616506507
Energy: 0.44743118583199404
Energy: 0.6194372539225246
Energy: 0.6324665819235613
Energy: 0.4437998408372266
Energy: 0.5858509714200044
Energy: 0.4740749112586504
Energy: 0.47251966634607906
Energy: 0.5121037326813739
Energy: 0.4529984962465089
Energy: 0.45191261558227175
Energy: 0.5409205422172497
Energy: 0.4565640816299797
Energy: 0.4554710600327566
Energy: 0.5162212715657848
Energy: 0.45534809267123877
Energy: 0.45560478042690067
Energy: 0.5423208759695893
Energy: 0.4521829817082599
Energy: 0.452433307210494
Energy: 0.4727216597661963
Energy: 0.45153419682155527
Energy: 0.4522847640915542
Energy: 0.459161325114889
Energy: 0.5058171839171356
Energy: 0.45596671367692215
Energy: 0.4579274661630111
Energy: 0.5059437406952869
Energy: 0.4555783931012135
Energy: 0.46879874937692506
Energy: 0.48780801132362217
Energy: 0.48520487669050716
Energy: 0.4606041624313941
Energy: 0.4871630625817312
Energy: 0.45308233372740986
Energy: 0.5752651899599434
Energy: 0.4490698291578035
Energy: 0.472863609615499
Energy: 0.5092971105557393
Energy: 0.44891013868968405
Energy: 0.47371906249230017
Energy: 0.4839738683822394
Energy: 0.4517270692321672
Energy: 0.453006541894343
Energy: 0.46034540994321005
Energy: 0.45340183481660357
Energy: 0.4533329044146067
Energy: 0.45186063286008077
Energy: 0.45614280931333695
Energy: 0.45584171950805685
Energy: 0.45353598588465305
Energy: 0.4546250562968751
Energy: 0.45448451933982764
Energy: 0.4654197162046231
Energy: 0.4613192030832802
Energy: 0.4560179529623143
Energy: 0.45162313917429214
Energy: 0.48050801508812874
Energy: 0.4551632842445626
Energy: 0.5457140429223749
Energy: 0.44930996252449984
Energy: 0.547554162999094
Energy: 0.5344842344363109
Energy: 0.45092989891068314
Energy: 0.4961579994222698
Energy: 0.5427884730141809
Energy: 0.44733323865304186
Energy: 0.44772667619734713
Energy: 0.46597572470439697
Energy: 0.4493343453290819
Energy: 0.44794599163248994
Energy: 0.46897984967386247
Energy: 0.4852773552514554
Energy: 0.4776024386927361
Energy: 0.44860173625350047
Energy: 0.48679035322574615
Energy: 0.46055935937846465
Energy: 0.49483418012353264
Energy: 0.4548802171099758
Energy: 0.4560491584222206
Energy: 0.4432795291126397
Energy: 0.4778826292331166
Energy: 0.4545725303896079
Energy: 0.5163942881848591
Energy: 0.44681587015182245
Energy: 0.44700006368182277
Energy: 0.4467508305585848
Energy: 0.44670799573765474
Energy: 0.4470822023875717
Energy: 0.5278569660048206
Energy: 0.44826864679784084
Energy: 0.44841958799658616
Energy: 0.44829006937628496
Energy: 0.45099954882934196
Energy: 0.44842217598971545
Energy: 0.45860321574766244
Energy: 0.4703217696571106
Energy: 0.4589019798787806
Energy: 0.4449909912044759
Energy: 0.48627129332190105
Energy: 0.45742165907237026
Energy: 0.4813839549168971
Energy: 0.44800718490057306
Energy: 0.4479521268387742
Energy: 0.44377249281838393
Energy: 0.48432689060769046
Energy: 0.44807790585119284
Energy: 0.5066156949689077
Energy: 0.4514428549782499
Energy: 0.45010209478295476
Energy: 0.5146454653122233
Energy: 0.44991380817279597
Energy: 0.48561762782270185
Energy: 0.5050953377789403
Energy: 0.4690289861481148
Energy: 0.4704595426074227
Energy: 0.48465427325767857
Energy: 0.44443862119862787
Energy: 0.48541676448724014
Energy: 0.4488639248163813
Energy: 0.44793992631993873
Energy: 0.4478419761183384
Energy: 0.4481835971032569
Energy: 0.44770844483591293
Energy: 0.44792171612662646
Energy: 0.4609093047999419
Energy: 0.44638731392197406
Energy: 0.4469284423527436
Energy: 0.4590924788482176
Energy: 0.4467491398629158
Energy: 0.4469908219533801
Energy: 0.5311437667470764
Energy: 0.4529719908213781
Energy: 0.45828818287243467
Energy: 0.5227457760461668
Energy: 0.4529509384742372
Energy: 0.4714655947180201
Energy: 0.5124367204256115
Energy: 0.44197346429653883
Energy: 0.4485164256811301
Energy: 0.4941209039083761
Energy: 0.44189988607678615
Energy: 0.4486369407538127
Energy: 0.4815060479917032
Energy: 0.4740273098979403
Energy: 0.44828964138901034
Energy: 0.44661321291719264
Energy: 0.5082069001327582
Energy: 0.44738502683427567
Energy: 0.4594590920049826
Energy: 0.4546499993306154
Energy: 0.45510271694972754
Energy: 0.45196983646184413
Energy: 0.5144029695594696
Energy: 0.45318717133554776
Energy: 0.538248451778843
Energy: 0.4549125928703328
Energy: 0.45503323015176694
Energy: 0.45492290503635496
Energy: 0.45563451346746114
Energy: 0.4551077173490966
Energy: 0.5312287654912343
Energy: 0.45209699915536583
Energy: 0.4525217168658477
Energy: 0.4517888320751304
Energy: 0.4519905725352476
Energy: 0.45226956300622967
Energy: 0.47927824305341254
Energy: 0.48379179732367106
Energy: 0.5383547556257359
Energy: 0.4657342533631327
Energy: 0.4895880601597505
Energy: 0.46971042796608625

minimum gb energy = 0.44189988607678615 eV
minimum distance =  2.6468312675598 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 0.6758586194066162
Energy: 0.5919492892644973
Energy: 0.4377010704041567
Energy: 0.5887063529016638
Energy: 0.5907485920890991
Energy: 0.5894048470463212
Energy: 0.5761881136992546
Energy: 0.4360384734229041
Energy: 0.4366543482259232
Energy: 0.4604250093050781
Energy: 0.43924541155505675
Energy: 0.43191784419590157
Energy: 0.5434072019677021
Energy: 0.4351728013010242
Energy: 0.4352477603604999
Energy: 0.5043617145057511
Energy: 0.4346654330308244
Energy: 0.43476178631266515
Energy: 0.4439456688172341
Energy: 0.43695084555747565
Energy: 0.4318776803682899
Energy: 0.4362801131247317
Energy: 0.4369772953461738
Energy: 0.43281380078875176
Energy: 0.4393681422523397
Energy: 0.5028249075058867
Energy: 0.4633171293474664
Energy: 0.437653179785014
Energy: 0.5040960658895743
Energy: 0.43931528118576657
Energy: 0.46204450408933917
Energy: 0.47464273857497624
Energy: 0.4622273525104864
Energy: 0.4458842869347356
Energy: 0.4736122489249581
Energy: 0.43214361567509646
Energy: 0.46951950122728653
Energy: 0.4303658283818303
Energy: 0.43048451045260216
Energy: 0.4712684279527801
Energy: 0.43117856485067857
Energy: 0.4303007444695445
Energy: 0.4311967716414938
Energy: 0.46099720290013324
Energy: 0.43217312566570054
Energy: 0.43924816219675594
Energy: 0.4289022088840165
Energy: 0.4605810303672986
Energy: 0.4318207573531031
Energy: 0.4359022553527992
Energy: 0.43318355397204417
Energy: 0.4356134237754777
Energy: 0.4336541507791477
Energy: 0.43320668091807746
Energy: 0.430697026858992
Energy: 0.4379651016964543
Energy: 0.43928845557391605
Energy: 0.4419931723218317
Energy: 0.45473564912845976
Energy: 0.43878601472250733
Energy: 0.538371596470148
Energy: 0.4224691147916878
Energy: 0.5385546928435387
Energy: 0.5029035282508498
Energy: 0.42216289440868826
Energy: 0.43913398344728855
Energy: 0.472649348234851
Energy: 0.4389387510029865
Energy: 0.43935372248915666
Energy: 0.44067933147043203
Energy: 0.43891994092392056
Energy: 0.4417275823172067
Energy: 0.5609056570035019
Energy: 0.5173910271512996
Energy: 0.48152470658932045
Energy: 0.4304038160696559
Energy: 0.5309625074864809
Energy: 0.4338328251613886
Energy: 0.4427627004486505
Energy: 0.45195746601104164
Energy: 0.45128441500285454
Energy: 0.4303284192582762
Energy: 0.4580596775800486
Energy: 0.44158314202750776
Energy: 0.5339396978929901
Energy: 0.4385837779762759
Energy: 0.43577126211198497
Energy: 0.43701634577941
Energy: 0.4336535093754231
Energy: 0.4359807753762494
Energy: 0.5445170872243176
Energy: 0.4369376590705828
Energy: 0.4369830560164384
Energy: 0.4319077463992631
Energy: 0.43687053271233095
Energy: 0.43188413586436347
Energy: 0.6783182577314665
Energy: 0.5109931548350163
Energy: 0.4400189376946447
Energy: 0.4188405502936267
Energy: 0.5128678080632476
Energy: 0.4516457738242223
Energy: 0.5057385458118244
Energy: 0.4509884602774449
Energy: 0.43459048278396256
Energy: 0.4420181879151867
Energy: 0.4387499872022288
Energy: 0.4398398798309144
Energy: 0.5456377963910412
Energy: 0.4332076859765827
Energy: 0.43428185113261225
Energy: 0.5133904140609186
Energy: 0.4364002777373429
Energy: 0.4344336475297023
Energy: 0.4878983544114393
Energy: 0.43571176412506907
Energy: 0.432581176315344
Energy: 0.4967300831470412
Energy: 0.43250247715657747
Energy: 0.4363667562524092
Energy: 0.44102443157643695
Energy: 0.502579597610422
Energy: 0.5085099051158192
Energy: 0.4395850825345314
Energy: 0.5062135719581192
Energy: 0.4379459161274091
Energy: 0.45993005893292843
Energy: 0.43239910461374376
Energy: 0.4315200637401144
Energy: 0.4394549014642514
Energy: 0.463558697036535
Energy: 0.4370734878054328
Energy: 0.46940851252843274
Energy: 0.42958953364612124
Energy: 0.4296550529141687
Energy: 0.45834666875661034
Energy: 0.43124807637481655
Energy: 0.43417297315301984
Energy: 0.4302934095904979
Energy: 0.42961521509300415
Energy: 0.4544573185799515
Energy: 0.4418499520086907
Energy: 0.4292099150241709
Energy: 0.4341004315884444
Energy: 0.4358502090791395
Energy: 0.43222722139453856
Energy: 0.4325630608892693
Energy: 0.44198470036987947
Energy: 0.43237361870467184
Energy: 0.43251837022334855
Energy: 0.43161595232696
Energy: 0.4377663155574261
Energy: 0.43705109204007103
Energy: 0.43673275792649874
Energy: 0.43646727426044174
Energy: 0.4373273490701897
Energy: 0.5379484570236619
Energy: 0.42196786705524963
Energy: 0.4217826140541364
Energy: 0.4572355102522878
Energy: 0.42461252710569863
Energy: 0.5384800775435619
Energy: 0.49344812323561177
Energy: 0.42260160462832047
Energy: 0.4221632613006864
Energy: 0.49246330705547575
Energy: 0.4220029472043379
Energy: 0.43768802645482485
Energy: 0.44380981151120563
Energy: 0.4917733369669466
Energy: 0.4610457903192172
Energy: 0.4294598569025079
Energy: 0.5077287701662634
Energy: 0.45965323852731055
Energy: 0.44392913823403624
Energy: 0.48429277193801445
Energy: 0.4332368698260701
Energy: 0.4307053015884088
Energy: 0.4568851224382987
Energy: 0.4337270111343411
Energy: 0.5456179679449225
Energy: 0.43725771383870343
Energy: 0.4374554667937154
Energy: 0.4375369413276583
Energy: 0.4398071127875996
Energy: 0.43766726973207487
Energy: 0.5443809880705438
Energy: 0.4369137334459515
Energy: 0.4320988943644376
Energy: 0.43206282241952026
Energy: 0.43693735317559096
Energy: 0.4317426166981926
Energy: 0.4445138795483303
Energy: 0.4676458023918814
Energy: 0.4723329214604769
Energy: 0.4189852061356806
Energy: 0.4804468592662361
Energy: 0.47223393905869937

minimum gb energy = 0.4188405502936267 eV
minimum distance =  2.6482827747745 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.011786441485577554
Energy: 0.3791004817837294
Energy: 0.012123309772491552
Energy: 0.013203429767131469
Energy: 0.3782615475780862
Energy: 0.012169678938604668
Energy: 0.35846350265766275
Energy: 0.06959123634390983
Energy: 0.06813324899606982
Energy: 0.06750740431229338
Energy: 0.06886092992453421
Energy: 0.06817394123957365
Energy: 0.884386220926505
Energy: 0.3802049225086191
Energy: 0.3785029675892135
Energy: 0.6749660561612143
Energy: 0.3786702619043819
Energy: 0.37832725152650054
Energy: 0.358463502657326
Energy: 0.06959123634426634
Energy: 0.06813324899606982
Energy: 0.06750740431193687
Energy: 0.0688609299252274
Energy: 0.06817394123993016

minimum gb energy = 0.011786441485577554 eV
minimum distance =  2.81535229800456 Angstroms
sigma value = 1