Model name: model_name=EAM_Dynamo_ZhouWadleyJohnson_2001_Al__MO_049243498555_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.081654928624631
cohesive_energy=3.5802802150217286
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: 2.2204e-16 eV

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

Energy: 0.010855249936675391
Energy: 0.011084852160970805
Energy: 0.31385356407250625
Energy: 0.011084852160014149
Energy: 0.011084852160970805
Energy: 0.2833440184364803
Energy: 0.011084852160970805
Energy: 0.28334401843601564
Energy: 0.31385356407250625
Energy: 0.011084852160970805
Energy: 0.010855249936675391
Energy: 0.01108485216143547
Energy: 0.011084852160970805
Energy: 0.28334401843601564
Energy: 0.01108485216143547
Energy: 0.28334401843601564

minimum gb energy = 0.010855249936675391 eV
minimum distance =  2.79179447945608 Angstroms
sigma value = 1


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

Energy: 0.4092479991682006
Energy: 0.4065960022845709
Energy: 0.44487442613463796
Energy: 0.4065960022845709
Energy: 0.4094960888618288
Energy: 0.4154690325202212
Energy: 0.39944023065163875
Energy: 0.4154690325178616
Energy: 0.38941917333662923
Energy: 0.39853942319692376
Energy: 0.3990577324865267
Energy: 0.39853942319692376
Energy: 0.39409954460754687
Energy: 0.4147244062670616
Energy: 0.3927212834981736
Energy: 0.41472440626825496
Energy: 0.3954266822934157
Energy: 0.40780995817083265
Energy: 0.3952330700575019
Energy: 0.40780995817083265
Energy: 0.39526728441431114
Energy: 0.4028294740024521
Energy: 0.3789910670616023
Energy: 0.4028294740042422
Energy: 0.40073190712172024
Energy: 0.39833159138648155
Energy: 0.39595624008687563
Energy: 0.39833159138707824
Energy: 0.3848794347566578
Energy: 0.4069991939513212
Energy: 0.3772192123951909
Energy: 0.40699919395012796
Energy: 0.3975073663441951
Energy: 0.41718565723804235
Energy: 0.39330866677979714
Energy: 0.41718565723923573
Energy: 0.37490099075958694
Energy: 0.3981305032196973
Energy: 0.3829125798983484
Energy: 0.398130503220294
Energy: 0.396618805377151
Energy: 0.4146828461795958
Energy: 0.39656984011436736
Energy: 0.4146828461795958
Energy: 0.4068227938778448
Energy: 0.40709657555056605
Energy: 0.38156952483628326
Energy: 0.4070965755523562
Energy: 0.3986248354368461
Energy: 0.3978911666128558
Energy: 0.4003427961191518
Energy: 0.39789116661166235
Energy: 0.40084098236814314
Energy: 0.40327332537846006
Energy: 0.3868191668171512
Energy: 0.4032733253772667
Energy: 0.4074739175093901
Energy: 0.4078454813409102
Energy: 0.398488531232631
Energy: 0.4078454813403135
Energy: 0.40709329989469184
Energy: 0.40685652626560626
Energy: 0.40322781949679815
Energy: 0.4068565262667996
Energy: 0.399126550512816
Energy: 0.3986903713337472
Energy: 0.38745368665029983
Energy: 0.3986903713331505
Energy: 0.39948531208200216
Energy: 0.39890481352796964
Energy: 0.39902852927657895
Energy: 0.39890481352677626
Energy: 0.3855023944772792
Energy: 0.4067211876268902
Energy: 0.3811317767249637
Energy: 0.4067211876256968
Energy: 0.39994600849161976
Energy: 0.40418330553447956
Energy: 0.39922740230858134
Energy: 0.4041833055350762
Energy: 0.37654684061163396
Energy: 0.39815916092080716
Energy: 0.38200963934657306
Energy: 0.39815916091842035
Energy: 0.3925327686757102
Energy: 0.41375761955846285
Energy: 0.39363866773500134
Energy: 0.4137576195578661
Energy: 0.3950630656809134
Energy: 0.40776748643977806
Energy: 0.38929005557621227
Energy: 0.4077674864373913
Energy: 0.3957260597162033
Energy: 0.3982695760995052
Energy: 0.39524184188892214
Energy: 0.3982695760989085
Energy: 0.39597213780664975
Energy: 0.40349819246613317
Energy: 0.4126299566106931
Energy: 0.40349819246613317
Energy: 0.3953507377875665
Energy: 0.4069462026433923
Energy: 0.38921314454639844
Energy: 0.4069462026433923
Energy: 0.3932811278566587
Energy: 0.4046653207622942
Energy: 0.3965466386650355
Energy: 0.404665320764681
Energy: 0.38965936378105714
Energy: 0.39776429523584383
Energy: 0.39799663028045545
Energy: 0.39776429523644047
Energy: 0.3985120298773611
Energy: 0.4149632893328411
Energy: 0.3970888063973819
Energy: 0.41496328933164783
Energy: 0.4096235210448035
Energy: 0.407007007336532
Energy: 0.4064192558343104
Energy: 0.4070070073377254
Energy: 0.41107774447985257
Energy: 0.4033195429766286
Energy: 0.39866255222110486
Energy: 0.4033195429790154
Energy: 0.38637283556893065
Energy: 0.39848500503152634
Energy: 0.4007868740195989
Energy: 0.39848500502916673
Energy: 0.3952838574177009
Energy: 0.41425357718106104
Energy: 0.3928987096143463
Energy: 0.41425357718285105

minimum gb energy = 0.37490099075958694 eV
minimum distance =  2.53729939958969 Angstroms
sigma value = 1


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

Energy: 0.42257207502701344
Energy: 0.42872413919356306
Energy: 0.46552018109349114
Energy: 0.4287241391942433
Energy: 0.4158533159516777
Energy: 0.4253043860843657
Energy: 0.40398404689029394
Energy: 0.42530438609116894
Energy: 0.3978245191158909
Energy: 0.4305766725060679
Energy: 0.41426097974502213
Energy: 0.4305766725060679
Energy: 0.38550829789828467
Energy: 0.4076139821930999
Energy: 0.399615593762076
Energy: 0.40761398218425565
Energy: 0.3856147862030846
Energy: 0.41468417941830676
Energy: 0.40703534936556185
Energy: 0.41468417941966745
Energy: 0.4248914190150365
Energy: 0.4153591981925171
Energy: 0.38543633583783765
Energy: 0.4153591981891155
Energy: 0.3858016586746287
Energy: 0.4111123540841222
Energy: 0.3997829848232848
Energy: 0.4111123540834419
Energy: 0.38889584040108544
Energy: 0.4302964934846099
Energy: 0.38565000188419946
Energy: 0.4302964934866509
Energy: 0.39282633031565284
Energy: 0.4271153328165526
Energy: 0.40404461460537655
Energy: 0.42711533281111
Energy: 0.3846252400725713
Energy: 0.4284735818104406
Energy: 0.3966363361848336
Energy: 0.42847358181588324
Energy: 0.38685477183670086
Energy: 0.4159505002340029
Energy: 0.40401081384086096
Energy: 0.41595050023740454
Energy: 0.3903897147628681
Energy: 0.4209211954054127
Energy: 0.41438543372993086
Energy: 0.42092119540881434
Energy: 0.4149284777646448
Energy: 0.4146248744859531
Energy: 0.40699782127141776
Energy: 0.41462487448731367
Energy: 0.41501464198857674
Energy: 0.4146514673458013
Energy: 0.4069898416036435
Energy: 0.4146514673458013
Energy: 0.3903731415288957
Energy: 0.42091052248530175
Energy: 0.4143861742527493
Energy: 0.4209105224866625
Energy: 0.39695831847215257
Energy: 0.41584930565012784
Energy: 0.40401607886480057
Energy: 0.41584930564944755
Energy: 0.38475130452516354
Energy: 0.428460339345122
Energy: 0.3942309142477388
Energy: 0.4284603393437614
Energy: 0.3929632004519747
Energy: 0.42699007706251313
Energy: 0.4040407234846898
Energy: 0.4269900770645541
Energy: 0.38888527685386676
Energy: 0.42828901636319305
Energy: 0.38585593795780426
Energy: 0.4282890163577505
Energy: 0.3857858928838852
Energy: 0.4106258050410885
Energy: 0.40494829313791436
Energy: 0.41062580503836715
Energy: 0.424810681634025
Energy: 0.41545927927168297
Energy: 0.38561983511273795
Energy: 0.4154592792628387
Energy: 0.385694870592482
Energy: 0.41479964614370635
Energy: 0.3965470745368227
Energy: 0.4147996461403048
Energy: 0.38569241907752183
Energy: 0.40754792957400554
Energy: 0.3996159799615424
Energy: 0.40754792957468594
Energy: 0.3978023085969235
Energy: 0.4304972784061891
Energy: 0.4142952010719237
Energy: 0.43049727840686947
Energy: 0.4157158075367032
Energy: 0.4253223414206546
Energy: 0.40398164279270554
Energy: 0.42532234142133496
Energy: 0.4225720750256528
Energy: 0.42872413919356306
Energy: 0.4444140940668341
Energy: 0.4287241391942433
Energy: 0.415853315952358
Energy: 0.4253043860836854
Energy: 0.40398404689029394
Energy: 0.42530438609116894
Energy: 0.3978245191145302
Energy: 0.4305766725060679
Energy: 0.41426097974502213
Energy: 0.4305766725067482
Energy: 0.3855082978976043
Energy: 0.40761398219378026
Energy: 0.40504585025449974
Energy: 0.40761398218425565

minimum gb energy = 0.3846252400725713 eV
minimum distance =  2.50692873039783 Angstroms
sigma value = 25


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

Energy: 0.41578716627641005
Energy: 0.4342414329985943
Energy: 0.4893559085221678
Energy: 0.4342414329985943
Energy: 0.4086658444268083
Energy: 0.419367471431242
Energy: 0.413537475871486
Energy: 0.41936747143203285
Energy: 0.40609891023162903
Energy: 0.4575105365227231
Energy: 0.40089113157234074
Energy: 0.4575105365227231
Energy: 0.39357260811775263
Energy: 0.4317663169889233
Energy: 0.40914732861839925
Energy: 0.4317663169889233
Energy: 0.40932692898775985
Energy: 0.43528781464886784
Energy: 0.39696991279775734
Energy: 0.43528781464886784
Energy: 0.4425099698103418
Energy: 0.45560671249552903
Energy: 0.39966225722898957
Energy: 0.4556067124963199
Energy: 0.39865422210248624
Energy: 0.40621794028408603
Energy: 0.42837948842886014
Energy: 0.4062179402832952
Energy: 0.4717803108793138
Energy: 0.4349915030393223
Energy: 0.40116499100601904
Energy: 0.43499150303853146
Energy: 0.42767025803473535
Energy: 0.43495812578924653
Energy: 0.39853881222030235
Energy: 0.43495812578924653
Energy: 0.39914281692641723
Energy: 0.4556587428677658
Energy: 0.39906399960637434
Energy: 0.4556587428677658
Energy: 0.3954716173650391
Energy: 0.4350708355648651
Energy: 0.3982335158983589
Energy: 0.4350708355640743
Energy: 0.40913608671748464
Energy: 0.43443329139952497
Energy: 0.39976102377237044
Energy: 0.43443329139952497
Energy: 0.40087394578104274
Energy: 0.43164175916336245
Energy: 0.4035668142821522
Energy: 0.43164175916336245
Energy: 0.426169851974042
Energy: 0.3983678533622829
Energy: 0.40903473829267933
Energy: 0.3983678533622829
Energy: 0.3993741564542027
Energy: 0.433925535169414
Energy: 0.40030995615143194
Energy: 0.4339255351702049
Energy: 0.41378286921224944
Energy: 0.40741004760619687
Energy: 0.4061107414420693
Energy: 0.40741004760619687
Energy: 0.3937724368427308
Energy: 0.4570850291141587
Energy: 0.3936769831946612
Energy: 0.4570850291141587
Energy: 0.40936497611578304
Energy: 0.4367306205751975
Energy: 0.3943907127579739
Energy: 0.43673062057440665
Energy: 0.3969222081359778
Energy: 0.432179597765837
Energy: 0.40977801627378113
Energy: 0.432179597765837
Energy: 0.3996973085712128
Energy: 0.45609302564642934
Energy: 0.4091879578238729
Energy: 0.45609302564563853
Energy: 0.4140922411268342
Energy: 0.4191853139061118
Energy: 0.39809476435265695
Energy: 0.41918531390690267
Energy: 0.416752132958231
Energy: 0.4352396066333393
Energy: 0.43592651677256317
Energy: 0.43523960663413014
Energy: 0.4145999444341465
Energy: 0.42811000321046666
Energy: 0.39830520446705275
Energy: 0.4281100032096758
Energy: 0.40466510709903253
Energy: 0.45607056369903015
Energy: 0.3989548934872901
Energy: 0.45607056369903015
Energy: 0.3983073987435721
Energy: 0.43150413797633214
Energy: 0.40895012371066525
Energy: 0.43150413797554127

minimum gb energy = 0.39357260811775263 eV
minimum distance =  2.50426733886486 Angstroms
sigma value = 9


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

Energy: 0.4204252214730659
Energy: 0.4203280402900583
Energy: 0.5176632743684986
Energy: 0.4203280402910018
Energy: 0.4316532804147543
Energy: 0.4476622101986575
Energy: 0.42041868429070545
Energy: 0.4476622101986575
Energy: 0.43049972761999994
Energy: 0.42410119717686123
Energy: 0.41629710635588113
Energy: 0.4241011971740309
Energy: 0.4275024350633636
Energy: 0.46161398863126113
Energy: 0.4113891324527055
Energy: 0.4616139886322046
Energy: 0.4689192884425413
Energy: 0.44711755902574907
Energy: 0.41877997281011975
Energy: 0.44711755902574907
Energy: 0.39341381522165947
Energy: 0.4241380734303865
Energy: 0.4437808504321062
Energy: 0.4241380734275562
Energy: 0.42767629275219626
Energy: 0.4453918869985113
Energy: 0.4116457503817749
Energy: 0.44539188699756777
Energy: 0.44598362442893047
Energy: 0.4242234271419343
Energy: 0.40669827132509473
Energy: 0.42422342714099076
Energy: 0.42808647161150887
Energy: 0.4479578638471832
Energy: 0.41901104572187836
Energy: 0.4479578638490701
Energy: 0.4203433354646843
Energy: 0.42074660808629943
Energy: 0.41166081294007767
Energy: 0.42074660808535597
Energy: 0.40902031998009375
Energy: 0.43937849049339633
Energy: 0.410919631990932
Energy: 0.43937849049245287
Energy: 0.427782652396974
Energy: 0.4205462215952866
Energy: 0.4116730838254509
Energy: 0.42054622159623006
Energy: 0.39325956605755086
Energy: 0.4203670755049878
Energy: 0.4057060809115865
Energy: 0.42036707550404434
Energy: 0.446129536253842
Energy: 0.42377274452795105
Energy: 0.4207937615573834
Energy: 0.42377274452795105
Energy: 0.393254359118153
Energy: 0.4203279905720267
Energy: 0.4247301414045008
Energy: 0.4203279905729701
Energy: 0.42777865971694234
Energy: 0.4205883912671563
Energy: 0.411677297636715
Energy: 0.4205883912662129
Energy: 0.4090282815071553
Energy: 0.43939020231257936
Energy: 0.4088933142802255
Energy: 0.4393902023116359
Energy: 0.42030830603778957
Energy: 0.4208409790800968
Energy: 0.41169794395397497
Energy: 0.4208409790810403
Energy: 0.4281509085101516
Energy: 0.447949187050764
Energy: 0.41358758626467057
Energy: 0.4479491870498205
Energy: 0.4459737840332244
Energy: 0.42434044414542993
Energy: 0.4066738035118547
Energy: 0.424340444142621
Energy: 0.4276116682759856
Energy: 0.4452111765225028
Energy: 0.41157458041830375
Energy: 0.4452111765206159

minimum gb energy = 0.393254359118153 eV
minimum distance =  2.53430892628782 Angstroms
sigma value = 25


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

Energy: 0.41225083018484776
Energy: 0.4625240179702914
Energy: 0.5451007059080608
Energy: 0.4625240179702914
Energy: 0.3997077318079396
Energy: 0.43159596255638377
Energy: 0.39143054901171115
Energy: 0.43159596255638377
Energy: 0.39137495085822055
Energy: 0.4838949814798466
Energy: 0.3911949319970644
Energy: 0.4838949814810133
Energy: 0.41384329832963324
Energy: 0.4634525763418781
Energy: 0.454284083412374
Energy: 0.4634525763407113
Energy: 0.45569737146393374
Energy: 0.44331752094385074
Energy: 0.4299978085183412
Energy: 0.44331752094268395
Energy: 0.39331680661795826
Energy: 0.4841582479497043
Energy: 0.39262064333202407
Energy: 0.4841582479508711
Energy: 0.3916400125318733
Energy: 0.42442549873336377
Energy: 0.39154332153705695
Energy: 0.42442549873336377
Energy: 0.4553640290887896
Energy: 0.4639448401020789
Energy: 0.41420178981381206
Energy: 0.4639448401020789
Energy: 0.39119294352328743
Energy: 0.4293922650985329
Energy: 0.40112104501626095
Energy: 0.4293922650985329
Energy: 0.48544677651423324
Energy: 0.44122633142366835
Energy: 0.3932687759945442
Energy: 0.4412263314248351
Energy: 0.4160862447981323
Energy: 0.46249400365329524
Energy: 0.5132285155194738
Energy: 0.46249400365329524
Energy: 0.3917601382913445
Energy: 0.45468440640393193
Energy: 0.4832754034211214
Energy: 0.45468440640393193
Energy: 0.45611120259305515
Energy: 0.482533668965255
Energy: 0.39123085415162145
Energy: 0.48253366896642175
Energy: 0.39158454374246365
Energy: 0.44338515202055223
Energy: 0.4138187149215622
Energy: 0.44338515202055223
Energy: 0.4134697436768513
Energy: 0.46180426906197186
Energy: 0.4552051145809975
Energy: 0.46180426906197186
Energy: 0.4001883175769955
Energy: 0.48336901104208335
Energy: 0.3933956191337373
Energy: 0.48336901104208335
Energy: 0.39163479993776334
Energy: 0.4368549316479529
Energy: 0.47922671972368336
Energy: 0.4368549316491197

minimum gb energy = 0.39119294352328743 eV
minimum distance =  2.61295970973098 Angstroms
sigma value = 17


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

Energy: 0.4439037204772442
Energy: 0.44400176026127386
Energy: 0.5502836267981736
Energy: 0.44400176026061305
Energy: 0.45684313506330454
Energy: 0.4383192955544313
Energy: 0.40396619760490693
Energy: 0.4383192955544313
Energy: 0.4533525791888179
Energy: 0.43822213363179396
Energy: 0.4037856630962815
Energy: 0.43822213363113316
Energy: 0.40476010077619556
Energy: 0.4447797819001167
Energy: 0.4391761128505347
Energy: 0.44477978190408146
Energy: 0.474421177948262
Energy: 0.47120639065076403
Energy: 0.40401717573756296
Energy: 0.47120639065076403
Energy: 0.4130298668308452
Energy: 0.44976917091528484
Energy: 0.45547768611103695
Energy: 0.44976917091594565
Energy: 0.40636491249729867
Energy: 0.45307059473178546
Energy: 0.4045706520880398
Energy: 0.45307059473244626
Energy: 0.45134484157150895
Energy: 0.4444226375048144
Energy: 0.4176272053636143
Energy: 0.44442263750415356
Energy: 0.41502068000073183
Energy: 0.4646306190756029
Energy: 0.48022670179546906
Energy: 0.4646306190756029
Energy: 0.5130012380860094
Energy: 0.44425245033669003
Energy: 0.4041858518394919
Energy: 0.4442524503380117
Energy: 0.40664808427196314
Energy: 0.4454802464688195
Energy: 0.45492783830036443
Energy: 0.44548024647014106
Energy: 0.41300212072463705
Energy: 0.45219797868019757
Energy: 0.41291045043021807
Energy: 0.45219797868019757
Energy: 0.45456310925698157
Energy: 0.4442311230491102
Energy: 0.44608642705832585
Energy: 0.4442311230504318
Energy: 0.4071804695967993
Energy: 0.4949320543527672
Energy: 0.458693079312306
Energy: 0.4949320543527672
Energy: 0.4488068369499857
Energy: 0.45420670145754805
Energy: 0.4153829232461097
Energy: 0.45420670145754805
Energy: 0.45676148273608613
Energy: 0.4448090072393979
Energy: 0.451508818140025
Energy: 0.4448090072400587
Energy: 0.404826985133319
Energy: 0.46443963606191346
Energy: 0.463488580883105
Energy: 0.46443963605930033
Energy: 0.4518177903591658
Energy: 0.43803496238463796
Energy: 0.413080399014476
Energy: 0.43803496238463796
Energy: 0.4207086098835759
Energy: 0.4656476748840665
Energy: 0.4374179379194343
Energy: 0.46564767488472736
Energy: 0.40473852940415067
Energy: 0.44708797371785447
Energy: 0.40496872067966844
Energy: 0.4470879737191761
Energy: 0.42744780740730143
Energy: 0.4385663984512212
Energy: 0.4533782852756224
Energy: 0.43856639845188194
Energy: 0.40447420154482233
Energy: 0.506006281723806
Energy: 0.51251869072752
Energy: 0.506006281721163
Energy: 0.47460878777579013
Energy: 0.44476888635593387
Energy: 0.40368003409288405
Energy: 0.4447688863552731
Energy: 0.41320073460757745
Energy: 0.4557100326243595
Energy: 0.45326418754895037
Energy: 0.45571003262766346
Energy: 0.4466475859768754
Energy: 0.4384064200641609
Energy: 0.45251470354992984
Energy: 0.4384064200641609
Energy: 0.4755617894364012
Energy: 0.44485546322104047
Energy: 0.4044750022857386
Energy: 0.44485546322104047
Energy: 0.40382012772313153
Energy: 0.47598642217495446
Energy: 0.5291175551055834
Energy: 0.4759864221729721
Energy: 0.45513693093057855
Energy: 0.4486389294122097
Energy: 0.45386971230002376
Energy: 0.44863892941088807
Energy: 0.4942056442640378
Energy: 0.4901338073729685
Energy: 0.40645248201728057
Energy: 0.4901338073742901
Energy: 0.41562839469674984
Energy: 0.4647430447998497
Energy: 0.4519830571384141
Energy: 0.4647430448018321

minimum gb energy = 0.40368003409288405 eV
minimum distance =  2.47127258903455 Angstroms
sigma value = 53


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

Energy: 0.3722531987964295
Energy: 0.37216005190123586
Energy: 0.5848670018788149
Energy: 0.37216005190123586
Energy: 0.4652673006619857
Energy: 0.4124638460078749
Energy: 0.4000442101544887
Energy: 0.4124638460048324
Energy: 0.3725749028592001
Energy: 0.3725733578970776
Energy: 0.4258381191039078
Energy: 0.3725733578970776
Energy: 0.3725640414182978
Energy: 0.37254761038407846
Energy: 0.4237706595238373
Energy: 0.37254761038407846
Energy: 0.4651152140055053
Energy: 0.41244057733372363
Energy: 0.40006744885655726
Energy: 0.4124405773306811
Energy: 0.3722531987964295
Energy: 0.37216005189971463
Energy: 0.5133677332295722
Energy: 0.37216005189971463
Energy: 0.4652673006619857
Energy: 0.4124638460093962
Energy: 0.424087481933246
Energy: 0.41246384600635366
Energy: 0.3725749028607214
Energy: 0.3725733578955563
Energy: 0.452968640758051
Energy: 0.3725733578970776
Energy: 0.3725640414182978
Energy: 0.37254761038255724
Energy: 0.44369791560018745
Energy: 0.37254761038407846
Energy: 0.46511521400702655
Energy: 0.4124405773352449
Energy: 0.4387915206784108
Energy: 0.4124405773306811
Energy: 0.3722531987964295
Energy: 0.37216005190123586
Energy: 0.5343013908895812
Energy: 0.37216005190123586
Energy: 0.4652673006635069
Energy: 0.4124638460078749
Energy: 0.4435257529362215
Energy: 0.4124638460048324
Energy: 0.3725749028592001
Energy: 0.3725733578970776
Energy: 0.452968640758051
Energy: 0.3725733578970776

minimum gb energy = 0.37216005189971463 eV
minimum distance =  2.58120931862736 Angstroms
sigma value = 9


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

Energy: 0.42917321821768545
Energy: 0.42203624919867844
Energy: 0.5725514090634242
Energy: 0.42203624919867844
Energy: 0.4844421303129417
Energy: 0.449731335111193
Energy: 0.42715456986619166
Energy: 0.44973133511175606
Energy: 0.41789086351199
Energy: 0.42137101446082903
Energy: 0.42562095966165603
Energy: 0.42137101446026604
Energy: 0.4671400209332358
Energy: 0.5000537239843214
Energy: 0.43506067656118835
Energy: 0.5000537239837582
Energy: 0.47501379711363045
Energy: 0.4502200592687246
Energy: 0.4243291919704011
Energy: 0.4502200592681615
Energy: 0.4209152356628717
Energy: 0.42076464972914984
Energy: 0.4651981687717885
Energy: 0.42076464972971295
Energy: 0.5511464024707732
Energy: 0.4467834559479167
Energy: 0.43243684556144474
Energy: 0.44678345594510144
Energy: 0.42250195094279347
Energy: 0.42286903497833717
Energy: 0.47509973834465324
Energy: 0.42286903497833717
Energy: 0.4192197449501281
Energy: 0.5100516533920669
Energy: 0.4275658598718202
Energy: 0.5100516533920669
Energy: 0.41890590277785894
Energy: 0.44746830233702767
Energy: 0.4333395780452423
Energy: 0.4474683023381538
Energy: 0.423516884196759
Energy: 0.5017420407145495
Energy: 0.5425474355711432
Energy: 0.5017420407106594
Energy: 0.48455875762347345
Energy: 0.5259530177813059
Energy: 0.4214516140269242
Energy: 0.5259530177813059
Energy: 0.4194981050188746
Energy: 0.4292681771042771
Energy: 0.5099819401628363
Energy: 0.4292681771042771
Energy: 0.46771872106676843
Energy: 0.5015078935410386
Energy: 0.432803566428562
Energy: 0.5015078935404755
Energy: 0.4240688387426657
Energy: 0.478296560846453
Energy: 0.47274360197243837
Energy: 0.47829656084420086
Energy: 0.4220496137693771
Energy: 0.5112196865202786
Energy: 0.4697024788986373
Energy: 0.5112196865197155
Energy: 0.45863387066849964
Energy: 0.4785051281029632
Energy: 0.4239588488741189
Energy: 0.4785051281046523
Energy: 0.4253229953083764
Energy: 0.4470622048637604
Energy: 0.487320197635288
Energy: 0.4470622048637604
Energy: 0.47488545137048804
Energy: 0.4289292690887097
Energy: 0.42220920557099095
Energy: 0.42892926908589446
Energy: 0.42164863019751675
Energy: 0.4560494353775629
Energy: 0.4568206399133698
Energy: 0.4560494353764368
Energy: 0.4706070632222985
Energy: 0.5026637778753895
Energy: 0.46674849707409566
Energy: 0.5026637778748265
Energy: 0.4667908757942707
Energy: 0.4264742834217623
Energy: 0.418853811980177
Energy: 0.42647428342007326
Energy: 0.426985043079371
Energy: 0.47188985139701284
Energy: 0.41925972236591297
Energy: 0.47188985139701284
Energy: 0.509815228090175
Energy: 0.42293434284942766
Energy: 0.4220200778838731
Energy: 0.42293434284773856
Energy: 0.4275270459694961
Energy: 0.5463438160583522
Energy: 0.5273706322454714
Energy: 0.5463438160589152
Energy: 0.4481671477287328
Energy: 0.4210702117237015
Energy: 0.41846236015043553
Energy: 0.4210702117237015
Energy: 0.47552886276187356
Energy: 0.45331760713139224
Energy: 0.46511677915596944
Energy: 0.4533176071297031
Energy: 0.43462621862225387
Energy: 0.49988271282391045
Energy: 0.46512926884936345
Energy: 0.4998827128249853
Energy: 0.4483133736258545
Energy: 0.42086854219390507
Energy: 0.41785255365110047
Energy: 0.4208685421950312
Energy: 0.42715558240921714
Energy: 0.54587642087209
Energy: 0.5282619741586657
Energy: 0.5458764208709639
Energy: 0.476887800665671
Energy: 0.5016957785952264
Energy: 0.4216344073887624
Energy: 0.5016957785969155
Energy: 0.4338985894977457
Energy: 0.4501149284553219
Energy: 0.41806464297768536
Energy: 0.4501149284525067
Energy: 0.42776638142348594
Energy: 0.42576023323150286
Energy: 0.4182337568029689
Energy: 0.42576023323319195
Energy: 0.4726453110466778
Energy: 0.5019096411734093
Energy: 0.46563415750762227
Energy: 0.5019096411728463
Energy: 0.42431899313948596
Energy: 0.5120445911730566
Energy: 0.5506598190812749
Energy: 0.5120445911758716

minimum gb energy = 0.41785255365110047 eV
minimum distance =  2.52230276691659 Angstroms
sigma value = 73


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

Energy: 0.45592304109662873
Energy: 0.42979769462821366
Energy: 0.5784874231472324
Energy: 0.42979769463089357
Energy: 0.4599724509899762
Energy: 0.46896542109328854
Energy: 0.4309392511169597
Energy: 0.46896542109328854
Energy: 0.4252456597007606
Energy: 0.4514480645575245
Energy: 0.4305346209846903
Energy: 0.4514480645584178
Energy: 0.41727620808140503
Energy: 0.4298334372942778
Energy: 0.43132809893591384
Energy: 0.4298334372924912
Energy: 0.4452835701559878
Energy: 0.46472022432560883
Energy: 0.442114317997621
Energy: 0.4647202243247155
Energy: 0.4331228224854172
Energy: 0.4240241107282099
Energy: 0.5013468537450024
Energy: 0.42402411072910323
Energy: 0.545210515458327
Energy: 0.49091119314094844
Energy: 0.4252358455323269
Energy: 0.49091119313826853
Energy: 0.4194721374630189
Energy: 0.42089083289012413
Energy: 0.5089223884021673
Energy: 0.42089083289012413
Energy: 0.5226141576849186
Energy: 0.4215547459379516
Energy: 0.4204627149035893
Energy: 0.4215547459379516
Energy: 0.42559680884036366
Energy: 0.4663903465425651
Energy: 0.4256271490673375
Energy: 0.46639034654435174
Energy: 0.4185922759725869
Energy: 0.4216457304790295
Energy: 0.4983285896753809
Energy: 0.4216457304852624
Energy: 0.48565936717458563
Energy: 0.42971785909804555
Energy: 0.4175612104694627
Energy: 0.42971785909804555
Energy: 0.43157128136317224
Energy: 0.4537807159552994
Energy: 0.49697701845975834
Energy: 0.4537807159588726
Energy: 0.5196346643829812
Energy: 0.4603574462266494
Energy: 0.432462476445067
Energy: 0.46035744623111596
Energy: 0.4265702936117062
Energy: 0.49419464540220936
Energy: 0.5005141025845966
Energy: 0.49419464540220936
Energy: 0.4978812049527921
Energy: 0.42134871441943733
Energy: 0.4200329852287818
Energy: 0.42134871441675736
Energy: 0.4626229596606651
Energy: 0.43030810054453633
Energy: 0.4254082913199926
Energy: 0.4303081005454297
Energy: 0.45734051382640295
Energy: 0.4301473070803174
Energy: 0.4259908261033114
Energy: 0.43014730708121074
Energy: 0.47558775406118653
Energy: 0.4208956999217856
Energy: 0.41876812827711046
Energy: 0.42089569992446557
Energy: 0.4304743363505784
Energy: 0.484007707851954
Energy: 0.5382642967256092
Energy: 0.484007707851954
Energy: 0.5122258635999706
Energy: 0.4301366695772594
Energy: 0.43167343072954306
Energy: 0.43013666957815266
Energy: 0.4420497032265578
Energy: 0.46999507566726284
Energy: 0.47562034216010385
Energy: 0.4699950756654762

minimum gb energy = 0.41727620808140503 eV
minimum distance =  2.52792303119394 Angstroms
sigma value = 7


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

Energy: 0.4405973715644902
Energy: 0.44075430350581546
Energy: 0.5602783725909062
Energy: 0.44075430349507716
Energy: 0.5319217944200917
Energy: 0.4698342582243563
Energy: 0.4343250574171642
Energy: 0.469834258224988
Energy: 0.4224838592230512
Energy: 0.4413643220456146
Energy: 0.43988169855848325
Energy: 0.44136432203929793
Energy: 0.4433450869886093
Energy: 0.47506889325175194
Energy: 0.43997224027312687
Energy: 0.4750688932504886
Energy: 0.4232107512476926
Energy: 0.46390675755124344
Energy: 0.4482647654536846
Energy: 0.4639067575556651
Energy: 0.42463297108262554
Energy: 0.44177826738838144
Energy: 0.5203184617936436
Energy: 0.44177826738838144
Energy: 0.4902257227324678
Energy: 0.4952145519169672
Energy: 0.44731205286024445
Energy: 0.4952145519220205
Energy: 0.42462488319786934
Energy: 0.44114915469560356
Energy: 0.5468548286946778
Energy: 0.4411491546981302
Energy: 0.48891297048593696
Energy: 0.4676271823709221
Energy: 0.43123620176912475
Energy: 0.46762718237408046
Energy: 0.431394161502617
Energy: 0.4826575519930491
Energy: 0.47793734768707946
Energy: 0.4826575519930491
Energy: 0.45082381488142986
Energy: 0.4423631242622056
Energy: 0.4438157804360987
Energy: 0.4423631242558889
Energy: 0.45506549473778213
Energy: 0.46601990088529566
Energy: 0.44202908500553134
Energy: 0.466019900884664
Energy: 0.44614509978237715
Energy: 0.4447139643696935
Energy: 0.443352934620583
Energy: 0.4447139643684302
Energy: 0.44890237499803753
Energy: 0.43588048959260123
Energy: 0.4417292842077081
Energy: 0.4358804895932329
Energy: 0.42754319949334785
Energy: 0.4793710552588039
Energy: 0.5399261256650189
Energy: 0.4793710552625939
Energy: 0.5790316046952724
Energy: 0.4355897712723623
Energy: 0.4293654853380167
Energy: 0.43558977127488896
Energy: 0.4334871400991856
Energy: 0.46792567849522765
Energy: 0.4867675371964328
Energy: 0.46792567849712263
Energy: 0.44138475279054595
Energy: 0.4609779574278723
Energy: 0.44211067360784584
Energy: 0.4609779574278723
Energy: 0.42699243278271687
Energy: 0.44276319921719537
Energy: 0.4435890554433209
Energy: 0.44276319921593205
Energy: 0.4316592456227418
Energy: 0.46253166867567014
Energy: 0.4422538731747043
Energy: 0.46253166867314344
Energy: 0.44873951743669105
Energy: 0.46473423964057414
Energy: 0.4313599316878588
Energy: 0.46473423964878574
Energy: 0.424805670442921
Energy: 0.441554799057767
Energy: 0.4806835985514374
Energy: 0.44155479906155704
Energy: 0.5304388874134013
Energy: 0.4675053068098828
Energy: 0.44126151815865183
Energy: 0.4675053068098828
Energy: 0.443019756447522
Energy: 0.4413882662958013
Energy: 0.52282665015673
Energy: 0.44138826630022293
Energy: 0.4466500758459424
Energy: 0.4625103002417563
Energy: 0.4375489918674752
Energy: 0.46251030024870465
Energy: 0.4436608350013324
Energy: 0.44204896673280847
Energy: 0.44410964859436725
Energy: 0.44204896673091354
Energy: 0.4228948599647327
Energy: 0.486032234426878
Energy: 0.44082789415876483
Energy: 0.4860322344237197
Energy: 0.44309400313170194
Energy: 0.4674987436184424
Energy: 0.43998519702749106
Energy: 0.46749874361591576
Energy: 0.42239299250133205
Energy: 0.44170714204869005
Energy: 0.47697510414110295
Energy: 0.44170714205879663
Energy: 0.5401603871991326
Energy: 0.4452849715527413
Energy: 0.4363734718171474
Energy: 0.44528497155084634
Energy: 0.4224077106064944
Energy: 0.44159766817443447
Energy: 0.5234991079697123
Energy: 0.44159766818514407

minimum gb energy = 0.42239299250133205 eV
minimum distance =  2.50168958124885 Angstroms
sigma value = 29


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

Energy: 0.4309300287130014
Energy: 0.4214442891097071
Energy: 0.6059078246523111
Energy: 0.42144428910929144
Energy: 0.40641838423938553
Energy: 0.4138605521381157
Energy: 0.41386862285049464
Energy: 0.4138605521387513
Energy: 0.4307702095453502
Energy: 0.45230456683367093
Energy: 0.46201425180006156
Energy: 0.4523045668334509
Energy: 0.4344989944979788
Energy: 0.408306738142772
Energy: 0.41529930902486734
Energy: 0.40830673814235646
Energy: 0.43133897565068446
Energy: 0.43330127646008665
Energy: 0.4304508042296175
Energy: 0.43330127646052663
Energy: 0.4276140937165327
Energy: 0.4489815966574123
Energy: 0.4276589728974953
Energy: 0.4489815966571923
Energy: 0.4305718053862254
Energy: 0.43333290585505735
Energy: 0.431391111869661
Energy: 0.43333290585505735
Energy: 0.41527734662477434
Energy: 0.4083138454769963
Energy: 0.4345112748446282
Energy: 0.4083138454772163
Energy: 0.4619891910301687
Energy: 0.45277004623522044
Energy: 0.4307552672327682
Energy: 0.4527700462348048

minimum gb energy = 0.40641838423938553 eV
minimum distance =  2.57774545174163 Angstroms
sigma value = 5


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

Energy: 0.4218059063843055
Energy: 0.433228639302348
Energy: 0.5764602795895127
Energy: 0.43322863930354144
Energy: 0.4821725248466717
Energy: 0.453505528973999
Energy: 0.4041576314948211
Energy: 0.4535055289734024
Energy: 0.4080796190479394
Energy: 0.4299822292785564
Energy: 0.4853857598215196
Energy: 0.429982229277363
Energy: 0.40658116170184583
Energy: 0.4492572254110905
Energy: 0.41065396031814533
Energy: 0.44925722541168717
Energy: 0.4137021759400565
Energy: 0.4518032710835728
Energy: 0.4893320680799399
Energy: 0.4518032710829761
Energy: 0.4328976923217677
Energy: 0.4353964282314963
Energy: 0.40371173076547734
Energy: 0.43539642823030295
Energy: 0.4081243551279522
Energy: 0.45151546702738876
Energy: 0.413059744039401
Energy: 0.4515154670267921
Energy: 0.40597524684441244
Energy: 0.4350455296386391
Energy: 0.40994197041372543
Energy: 0.43504552963744575
Energy: 0.41338769237724116
Energy: 0.4515636990006651
Energy: 0.4094493942811879
Energy: 0.4515636990006651
Energy: 0.4113610382006856
Energy: 0.4518524862256867
Energy: 0.40642836548787287
Energy: 0.4518524862262834
Energy: 0.4214689772536681
Energy: 0.4497587356514327
Energy: 0.4092906186869683
Energy: 0.4497587356514327
Energy: 0.40903224538740063
Energy: 0.4596537693252917
Energy: 0.4626610200672049
Energy: 0.459653769324695
Energy: 0.4526518941925562
Energy: 0.4339864030344242
Energy: 0.43461466710518626
Energy: 0.4339864030332308
Energy: 0.4141735471561676
Energy: 0.45210912463266045
Energy: 0.4355970019116511
Energy: 0.4521091246320638
Energy: 0.4865800888667957
Energy: 0.44980982511915557
Energy: 0.4091709112088901
Energy: 0.4498098251185589
Energy: 0.4097680146033751
Energy: 0.42879569541296203
Energy: 0.4229752058766602
Energy: 0.428795695411172
Energy: 0.48270114786402535
Energy: 0.46444641644405743
Energy: 0.4040801205018807
Energy: 0.4644464164434608
Energy: 0.41424843202024797
Energy: 0.4350198109881727
Energy: 0.4727861340180093
Energy: 0.435019810987576
Energy: 0.4058152513826822
Energy: 0.4526766745853694
Energy: 0.4046098353575413
Energy: 0.452676674585939
Energy: 0.4087662888968352
Energy: 0.45692403542462956
Energy: 0.4188049983046401
Energy: 0.45692403542462956
Energy: 0.4061234618598075
Energy: 0.4482422479126119
Energy: 0.40996966761670833
Energy: 0.4482422479138053
Energy: 0.41388600573702994
Energy: 0.4516579406404754
Energy: 0.4159288962059413
Energy: 0.45165794064226544
Energy: 0.40372559986285855
Energy: 0.4512215896296587
Energy: 0.4055357469370174
Energy: 0.4512215896302554
Energy: 0.43315437045525096
Energy: 0.43415212650961715
Energy: 0.40841191070967303
Energy: 0.43415212651200386
Energy: 0.44017697503187836
Energy: 0.4275002251862032
Energy: 0.4052139112679965
Energy: 0.4275002251867999
Energy: 0.42808634508046484
Energy: 0.44832051020606933
Energy: 0.4135663890429453
Energy: 0.44832051020606933
Energy: 0.40385963856938883
Energy: 0.4452611929739095
Energy: 0.4335383560701074
Energy: 0.4452611929745062
Energy: 0.44111251204599955
Energy: 0.451068584943102
Energy: 0.4096934168659366
Energy: 0.45106858494489205
Energy: 0.4091880000762475
Energy: 0.44434623303033643
Energy: 0.47992534227215755
Energy: 0.44434623303033643
Energy: 0.45216118483208717
Energy: 0.4335541868886411
Energy: 0.4141306886283635
Energy: 0.4335541868880444
Energy: 0.4041750022975547
Energy: 0.41889692902226944
Energy: 0.45125454457370434
Energy: 0.4188969290228662
Energy: 0.48229680797402447
Energy: 0.44887642666870314
Energy: 0.40846249108178573
Energy: 0.4488764266704932
Energy: 0.40992021500945264
Energy: 0.4495845673931953
Energy: 0.40586480415567366
Energy: 0.4495845673937919

minimum gb energy = 0.40371173076547734 eV
minimum distance =  2.5074535306686 Angstroms
sigma value = 1


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

Energy: 0.4115833527067541
Energy: 0.4116456949770694
Energy: 0.5808714599964478
Energy: 0.4116456949795444
Energy: 0.4083465028366514
Energy: 0.4216851041882516
Energy: 0.38484627884646594
Energy: 0.42168510418660166
Energy: 0.38355998616458253
Energy: 0.4119592369519195
Energy: 0.4553432198810922
Energy: 0.4119592369502694
Energy: 0.3981996771084139
Energy: 0.43653462503615226
Energy: 0.3852792045131344
Energy: 0.43653462503697726
Energy: 0.38285734031040264
Energy: 0.4544341708959557
Energy: 0.474233381584784
Energy: 0.4544341708992558
Energy: 0.38252800848316637
Energy: 0.4136477349781249
Energy: 0.38551398247116625
Energy: 0.41364773497894985
Energy: 0.38288763567998485
Energy: 0.4534456540883406
Energy: 0.4089402110169325
Energy: 0.4534456540866906
Energy: 0.38267666189859323
Energy: 0.4134420984884515
Energy: 0.42254831184171293
Energy: 0.4134420984909265
Energy: 0.4114860653586117
Energy: 0.40842313429887694
Energy: 0.4116380010558577
Energy: 0.40842313429887694
Energy: 0.41148443289528147
Energy: 0.40818179828697343
Energy: 0.42141810312558875
Energy: 0.40818179828697343
Energy: 0.3825943212797616
Energy: 0.41332148484050607
Energy: 0.399107606869343
Energy: 0.41332148483968106
Energy: 0.3829094985703958
Energy: 0.4536114830332547
Energy: 0.4093739798041826
Energy: 0.4536114830357298
Energy: 0.38240052043023953
Energy: 0.4134815559918406
Energy: 0.3855164169958163
Energy: 0.4134815559918406
Energy: 0.38296733424212137
Energy: 0.45443323405643804
Energy: 0.48213199519623995
Energy: 0.45443323405726305
Energy: 0.39855121080637257
Energy: 0.43653223622347676
Energy: 0.38543251177403415
Energy: 0.43653223622595183
Energy: 0.3835611720357968
Energy: 0.4119396964693005
Energy: 0.44260971470306343
Energy: 0.4119396964717755
Energy: 0.408278819350919
Energy: 0.4216175621076172
Energy: 0.3848498527989043
Energy: 0.4216175621084422
Energy: 0.41158335270592905
Energy: 0.4116456949770694
Energy: 0.49223850016330195
Energy: 0.4116456949795444
Energy: 0.4083465028366514
Energy: 0.4216851041882516
Energy: 0.38484627884646594
Energy: 0.42168510418660166
Energy: 0.3835599861637575
Energy: 0.4119592369519195
Energy: 0.5339048288095444
Energy: 0.4119592369502694
Energy: 0.3981996771092389
Energy: 0.43653462503615226
Energy: 0.3852792045123094
Energy: 0.43653462503780227
Energy: 0.38285734031040264
Energy: 0.4544341708959557
Energy: 0.4637207543919754
Energy: 0.4544341708992558
Energy: 0.3825280084815164
Energy: 0.4136477349772999
Energy: 0.38551398247199126
Energy: 0.41364773497894985
Energy: 0.38288763567998485
Energy: 0.4534456540883406
Energy: 0.39954373257266695
Energy: 0.4534456540866906

minimum gb energy = 0.38240052043023953 eV
minimum distance =  2.53371956395747 Angstroms
sigma value = 17


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

Energy: 0.4158603101451355
Energy: 0.4163406814904178
Energy: 0.572799297747375
Energy: 0.4163406814893979
Energy: 0.4843803163077112
Energy: 0.40870143156202104
Energy: 0.39948756833186533
Energy: 0.40870143156457067
Energy: 0.39554531746968685
Energy: 0.4097906294707274
Energy: 0.4873499824704521
Energy: 0.4097906294717472
Energy: 0.420491633826655
Energy: 0.39178338840626775
Energy: 0.3931689285831445
Energy: 0.3917833884067776
Energy: 0.3932164467076512
Energy: 0.4444616335372676
Energy: 0.4683228321069662
Energy: 0.44446163353573787
Energy: 0.39232364258816443
Energy: 0.4230997320642131
Energy: 0.4006350591973788
Energy: 0.42309973206523294
Energy: 0.3981938064030192
Energy: 0.4353883460307786
Energy: 0.41089799567750973
Energy: 0.4353883460374076
Energy: 0.39047429505862524
Energy: 0.4285992563184845
Energy: 0.3938900236072083
Energy: 0.42859925631899437
Energy: 0.4158698236844782
Energy: 0.42826116521952823
Energy: 0.4215454885742733
Energy: 0.42826116522054813
Energy: 0.41789219551805595
Energy: 0.42651312965589616
Energy: 0.3974704405930138
Energy: 0.4265131296523267
Energy: 0.39563760673476134
Energy: 0.41551329259648967
Energy: 0.393929486822311
Energy: 0.4155132925934302
Energy: 0.3972679888841721
Energy: 0.43047900426514907
Energy: 0.3991313592439744
Energy: 0.43047900426514907
Energy: 0.3911583197410582
Energy: 0.4217330906893421
Energy: 0.3966996123368323
Energy: 0.4217330906878123
Energy: 0.3964016617818941
Energy: 0.44337446534544417
Energy: 0.41609955466860277
Energy: 0.44337446534595404
Energy: 0.389440841292986
Energy: 0.39477690304866364
Energy: 0.42066956205023887
Energy: 0.39477690304968344
Energy: 0.39521014699036694
Energy: 0.4104005536200292
Energy: 0.46039882835185053
Energy: 0.4104005536220689
Energy: 0.4053889000781102
Energy: 0.39438162392916626
Energy: 0.3967497769208678
Energy: 0.39438162392712656
Energy: 0.39216054184581195
Energy: 0.41642891628793577
Energy: 0.4017148793641718
Energy: 0.41642891628997547
Energy: 0.4553254693018836
Energy: 0.432017856118282
Energy: 0.39681010544724915
Energy: 0.4320178561152225
Energy: 0.3992137996246771
Energy: 0.40980876965773194
Energy: 0.429672317925364
Energy: 0.4098087696592618
Energy: 0.45518852961744977
Energy: 0.40359480635837136
Energy: 0.3930554331741312
Energy: 0.40359480635633166
Energy: 0.39267629168444546
Energy: 0.41975453333156715
Energy: 0.4469721758429017
Energy: 0.4197545333320771
Energy: 0.41364997957056016
Energy: 0.3990634252109078
Energy: 0.39997811798501726
Energy: 0.3990634252088681
Energy: 0.3958814399366439
Energy: 0.43647638385664767
Energy: 0.46487033078711487
Energy: 0.4364763838576675
Energy: 0.4106959936339519
Energy: 0.416689992399261
Energy: 0.3926830381172681
Energy: 0.41668999239824117
Energy: 0.3913264737556377
Energy: 0.4447117582152401
Energy: 0.40602013235651147
Energy: 0.4447117582162599
Energy: 0.45629124292424333
Energy: 0.42303053153291714
Energy: 0.3960112543650444
Energy: 0.42303053153291714
Energy: 0.4233865722252889
Energy: 0.4603759895474081
Energy: 0.3944665672096533
Energy: 0.4603759895494478
Energy: 0.4262432587449486
Energy: 0.44310321232502076
Energy: 0.39752770223008554
Energy: 0.44310321232655053
Energy: 0.39174604304683497
Energy: 0.42170440016587324
Energy: 0.41871392690270554
Energy: 0.4217044001714825
Energy: 0.3982510751050602
Energy: 0.4431147189092237
Energy: 0.40032953244213804
Energy: 0.443114718907184
Energy: 0.3932678540885862
Energy: 0.4155692379428379
Energy: 0.39342318168852297
Energy: 0.4155692379433478
Energy: 0.39608179626338424
Energy: 0.4266834307942377
Energy: 0.4731892705644892
Energy: 0.42668343079474763
Energy: 0.4231988812936495
Energy: 0.46956587013632
Energy: 0.40056358251164725
Energy: 0.4695658701388696
Energy: 0.39463855792608676
Energy: 0.4193571939767579
Energy: 0.4148783574604642
Energy: 0.4193571939808373
Energy: 0.4170251443090471
Energy: 0.43621859018971537
Energy: 0.39700309028766495
Energy: 0.43621859018665576
Energy: 0.39998271952110737
Energy: 0.3992799992931873
Energy: 0.39348898415699407
Energy: 0.3992799992931873
Energy: 0.4033432378776057
Energy: 0.4450604321400437
Energy: 0.3923585690899988
Energy: 0.44506043214055363

minimum gb energy = 0.389440841292986 eV
minimum distance =  2.51993949955373 Angstroms
sigma value = 89


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

Energy: 0.3596536736562447
Energy: 0.35979864669371864
Energy: 0.5131355314612955
Energy: 0.35979864669238437
Energy: 0.36683511402356705
Energy: 0.3746329585031235
Energy: 0.3678111374277259
Energy: 0.3746329585031235
Energy: 0.36641164565003603
Energy: 0.43561266814058475
Energy: 0.6021086161135256
Energy: 0.43561266814058475
Energy: 0.4447141108754373
Energy: 0.3745609977060712
Energy: 0.3681463916181138
Energy: 0.3745609977060712
Energy: 0.3601242855033699
Energy: 0.3999837269945465
Energy: 0.3717323796360727
Energy: 0.3999837269945465
Energy: 0.3601123202493816
Energy: 0.3602253932026718
Energy: 0.3622552286967162
Energy: 0.3602253932026718
Energy: 0.36663041011897446
Energy: 0.436164902013198
Energy: 0.36797830969329626
Energy: 0.436164902013198
Energy: 0.37235246299706126
Energy: 0.46787710621325146
Energy: 0.36777838043092137
Energy: 0.46787710621325146
Energy: 0.3603453901100651
Energy: 0.39926942339947824
Energy: 0.3614361168797572
Energy: 0.39926942339947824
Energy: 0.3750757884143565
Energy: 0.36059668729172345
Energy: 0.3616636750629503
Energy: 0.3605966872930577
Energy: 0.35963180128346645
Energy: 0.3748794822348482
Energy: 0.36651722426810524
Energy: 0.3748794822348482
Energy: 0.35970593249051497
Energy: 0.43451063928612266
Energy: 0.3678051915003602
Energy: 0.43451063928612266
Energy: 0.3601863602371083
Energy: 0.3603230447648817
Energy: 0.37099907993872144
Energy: 0.36032304476354743
Energy: 0.3614533719801591
Energy: 0.39770258854288143
Energy: 0.3614714541669179
Energy: 0.39770258854154716
Energy: 0.361540167325231
Energy: 0.36035451467167723
Energy: 0.36018799873334545
Energy: 0.36035451467167723

minimum gb energy = 0.35963180128346645 eV
minimum distance =  2.55701196904715 Angstroms
sigma value = 13


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

Energy: 0.37638335453401245
Energy: 0.35786953879725736
Energy: 0.471669032155533
Energy: 0.3578695387911059
Energy: 0.4325905102358845
Energy: 0.36853682256794495
Energy: 0.35721258719068893
Energy: 0.3685368225657081
Energy: 0.3585912201450442
Energy: 0.3581025514441434
Energy: 0.41172002131970725
Energy: 0.3581025514480579
Energy: 0.3636969098137981
Energy: 0.36859519955799575
Energy: 0.3545002024965177
Energy: 0.3685951995591142
Energy: 0.36453774085247587
Energy: 0.38956553411526273
Energy: 0.37275968291266987
Energy: 0.38956553411022965
Energy: 0.3564020150006999
Energy: 0.36903128846328287
Energy: 0.3664436132373488
Energy: 0.3690312884571822
Energy: 0.3641696616721179
Energy: 0.3884341675059371
Energy: 0.469225952321344
Energy: 0.38843416751152937
Energy: 0.3619344962783825
Energy: 0.3685836822490386
Energy: 0.36664830070892573
Energy: 0.36858368224959775
Energy: 0.3644306380696235
Energy: 0.3883002341569692
Energy: 0.44411341051643255
Energy: 0.3883002341625614
Energy: 0.4303450095631598
Energy: 0.3978961710705818
Energy: 0.35449032456859086
Energy: 0.3978961710543643
Energy: 0.3644446576788722
Energy: 0.3988363014207624
Energy: 0.3685440849229964
Energy: 0.3988363014241178
Energy: 0.37052534127635467
Energy: 0.39804921881557526
Energy: 0.3545850920878273
Energy: 0.39804921881669364
Energy: 0.38204340011991283
Energy: 0.3667204710749011
Energy: 0.361832489123583
Energy: 0.3667204710749011
Energy: 0.48077374911338994
Energy: 0.39821122605126313
Energy: 0.3545843920138592
Energy: 0.3982112260490262
Energy: 0.36461248359158394
Energy: 0.35770113388362335
Energy: 0.36144677588632046
Energy: 0.3577011338825048
Energy: 0.3750536547309589
Energy: 0.39832944522110963
Energy: 0.3572866012905187
Energy: 0.3983294452199912
Energy: 0.36882360235537837
Energy: 0.35755841982505115
Energy: 0.35713035945199934
Energy: 0.3575584198200181
Energy: 0.36660042894804634
Energy: 0.3869063948004872
Energy: 0.37280619520183234
Energy: 0.38690639480216493
Energy: 0.36881109453097055
Energy: 0.3671491476362998
Energy: 0.37298250856371956
Energy: 0.36714914764524736
Energy: 0.36888350920474294
Energy: 0.3669965734621502
Energy: 0.3729804513298662
Energy: 0.3669965734643871
Energy: 0.36556759626673113
Energy: 0.38688225183559255
Energy: 0.37283463482018087
Energy: 0.38688225183727026
Energy: 0.3686574098298841
Energy: 0.3576363681530413
Energy: 0.3571183592042826
Energy: 0.35763636815471894
Energy: 0.37549023968407846
Energy: 0.39835180389607633
Energy: 0.35675814212247947
Energy: 0.3983518038943986
Energy: 0.3646059006193173
Energy: 0.35773513589308
Energy: 0.3606905143843265
Energy: 0.357735135895876
Energy: 0.4709980036441244
Energy: 0.39816946259018626
Energy: 0.35462000643999236
Energy: 0.3981694626002524
Energy: 0.3820807232959563
Energy: 0.3667877943626899
Energy: 0.35810676253237245
Energy: 0.36678779436436754
Energy: 0.3808777801627705
Energy: 0.39810511698460493
Energy: 0.35445471589321137
Energy: 0.3981051169851641
Energy: 0.3645208578530688
Energy: 0.3988324107876651
Energy: 0.3681641244811472
Energy: 0.3988324107910205
Energy: 0.43057615463617066
Energy: 0.39801846099954946
Energy: 0.354496956734057
Energy: 0.39801846100458244
Energy: 0.36445726111048865
Energy: 0.388195516757413
Energy: 0.4107850399795695
Energy: 0.3881955167568538
Energy: 0.3616784623652057
Energy: 0.3685739484233543
Energy: 0.36665518698075783
Energy: 0.3685739484183213
Energy: 0.3640838963582681
Energy: 0.3884918449407763
Energy: 0.4619883033200338
Energy: 0.38849184494357236
Energy: 0.3563953273267693
Energy: 0.3689267976696974
Energy: 0.36661732608692177
Energy: 0.3689267976590721
Energy: 0.3645567775614704
Energy: 0.38952468480293334
Energy: 0.3912546345808861
Energy: 0.38952468479622265
Energy: 0.363694909347273
Energy: 0.36874248776780916
Energy: 0.35451232209893757
Energy: 0.36874248777340146

minimum gb energy = 0.35445471589321137 eV
minimum distance =  2.58033162544255 Angstroms
sigma value = 37


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

Energy: 0.40408589101607684
Energy: 0.3560468665381855
Energy: 0.5570464459879595
Energy: 0.3560468665372234
Energy: 0.3935257221569419
Energy: 0.3436456182994018
Energy: 0.33164339308655644
Energy: 0.34364561830036394
Energy: 0.3829379176839845
Energy: 0.3903808595407381
Energy: 0.4432714028940417
Energy: 0.39038085953977597
Energy: 0.37582646244113616
Energy: 0.34310337307850813
Energy: 0.33576149252192505
Energy: 0.34310337307947025
Energy: 0.3339907142497376
Energy: 0.34293502722741787
Energy: 0.38375198889038387
Energy: 0.3429350272254937
Energy: 0.3416921248147676
Energy: 0.34289747135972876
Energy: 0.38404852431917025
Energy: 0.3428974713578045
Energy: 0.33027890134221843
Energy: 0.36694136131384425
Energy: 0.4734871606011433
Energy: 0.36694136131384425
Energy: 0.3256826794851226
Energy: 0.34327391361110493
Energy: 0.34451821796029486
Energy: 0.34327391361014276
Energy: 0.3323886665157304
Energy: 0.3433569308169927
Energy: 0.46917379103639173
Energy: 0.34335693081506846
Energy: 0.4762651297952499
Energy: 0.3829442541368871
Energy: 0.38396632832744676
Energy: 0.38294425413784916
Energy: 0.334263723767043
Energy: 0.41541134552529446
Energy: 0.3770189668868353
Energy: 0.41541134552337017
Energy: 0.4584292874934229
Energy: 0.34299963269147626
Energy: 0.3356038560816193
Energy: 0.34299963269051414
Energy: 0.38516214363696605
Energy: 0.34435381969793144
Energy: 0.34175658204939946
Energy: 0.3443538196960072
Energy: 0.48264322329163006
Energy: 0.3628048696849094
Energy: 0.3260201701410607
Energy: 0.36280486968587156
Energy: 0.40703225475040683
Energy: 0.36273402288996576
Energy: 0.3275940548373703
Energy: 0.36273402288900364
Energy: 0.406975385081595
Energy: 0.34392435579512665
Energy: 0.33205421416399344
Energy: 0.34392435579416447
Energy: 0.38513714419043027
Energy: 0.38366366406750135
Energy: 0.32792491409609104
Energy: 0.38366366406750135
Energy: 0.37581145949861716
Energy: 0.4540933824255551
Energy: 0.3326763701106659
Energy: 0.45409338242459296
Energy: 0.33412064332682684
Energy: 0.3432812916277385
Energy: 0.3321125718940048
Energy: 0.3432812916287007
Energy: 0.3319198134485411
Energy: 0.34389273393040687
Energy: 0.3849892534933275
Energy: 0.3438927339332932

minimum gb energy = 0.3256826794851226 eV
minimum distance =  2.58686250200869 Angstroms
sigma value = 25


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

Energy: 0.33055908952567353
Energy: 0.31164131051690824
Energy: 0.3318723186317731
Energy: 0.31164131051540567
Energy: 0.3957774932613065
Energy: 0.31932889076527654
Energy: 0.3131943468809207
Energy: 0.3193288907630227
Energy: 0.30946362817598494
Energy: 0.3095823289289966
Energy: 0.30764920453357547
Energy: 0.30958232892974796
Energy: 0.31655587996433693
Energy: 0.3192782236330717
Energy: 0.31333999603891005
Energy: 0.31927822363081776
Energy: 0.3124710240032901
Energy: 0.3189784057523913
Energy: 0.31909582010733306
Energy: 0.31897840575164
Energy: 0.3028445934826189
Energy: 0.3193038311606436
Energy: 0.31321497430077794
Energy: 0.3193038311613949
Energy: 0.3132827503160664
Energy: 0.3097408005939926
Energy: 0.31678373776819035
Energy: 0.3097408005932413
Energy: 0.31251861530395275
Energy: 0.330641065192193
Energy: 0.3102608808595153
Energy: 0.3306410651906904
Energy: 0.31260182453716884
Energy: 0.31939829322024954
Energy: 0.43433621506380593
Energy: 0.3193982932217521
Energy: 0.3026846735124088
Energy: 0.311706515282663
Energy: 0.3313388647098746
Energy: 0.3117065152856681
Energy: 0.3131848449148498
Energy: 0.30960704310404497
Energy: 0.4584605408872035
Energy: 0.3096070431017911
Energy: 0.42476883083689965
Energy: 0.3664843675205153
Energy: 0.3103265243511043
Energy: 0.3664843675227692
Energy: 0.3125415606571994
Energy: 0.3191664465631232
Energy: 0.4184694603621941
Energy: 0.3191664465653771
Energy: 0.4114096402741422
Energy: 0.34651126413512356
Energy: 0.3132140767819216
Energy: 0.3465112641358748
Energy: 0.3133168045652381
Energy: 0.30962166844223954
Energy: 0.30270489419432617
Energy: 0.3096216684414883
Energy: 0.3808078598439197
Energy: 0.36597692567089773
Energy: 0.31239657233877166
Energy: 0.36597692567089773
Energy: 0.312538696763079
Energy: 0.33051695131440467
Energy: 0.30482159844751183
Energy: 0.33051695131515596
Energy: 0.3951098954264986
Energy: 0.31910918125525156
Energy: 0.3131299432716069
Energy: 0.3191091812545002
Energy: 0.3337747037172452
Energy: 0.30967853886078806
Energy: 0.30266637253061845
Energy: 0.3096785388585342
Energy: 0.45731665924879106
Energy: 0.36361513526454603
Energy: 0.31274619141291343
Energy: 0.36361513526454603
Energy: 0.31270635025388804
Energy: 0.3323728972119601
Energy: 0.3088304088869674
Energy: 0.3323728972119601
Energy: 0.3130287341915216
Energy: 0.31923847055341587
Energy: 0.31322941833769724
Energy: 0.3192384705549184
Energy: 0.3133285189143385
Energy: 0.3096793153512027
Energy: 0.41126960801616125
Energy: 0.309679315351954
Energy: 0.3045666249380685
Energy: 0.36309467673070434
Energy: 0.3125795471147046
Energy: 0.36309467673220686
Energy: 0.3116824239133151
Energy: 0.36565100961839614
Energy: 0.4058795408647922
Energy: 0.36565100961539104
Energy: 0.3022175777185147
Energy: 0.33052335354137197
Energy: 0.31356833734388423
Energy: 0.33052335354287454

minimum gb energy = 0.3022175777185147 eV
minimum distance =  2.59954582207296 Angstroms
sigma value = 41


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

Energy: 0.42084133734046175
Energy: 0.2992143066845736
Energy: 0.4165729250288394
Energy: 0.29921430668334176
Energy: 0.4290271099348009
Energy: 0.2918439033799112
Energy: 0.2888461943952533
Energy: 0.2918439033811431
Energy: 0.2979663903857362
Energy: 0.2877367707558214
Energy: 0.2872077042531659
Energy: 0.2877367707558214
Energy: 0.362886614728233
Energy: 0.29189760853214064
Energy: 0.28893202637530724
Energy: 0.2918976085364522
Energy: 0.2864671361441129
Energy: 0.307269822663514
Energy: 0.30000371365168826
Energy: 0.307269822663514
Energy: 0.2980885108360212
Energy: 0.2921338265544985
Energy: 0.28884836617553794
Energy: 0.29213382655573034
Energy: 0.2883773239598938
Energy: 0.2919914339739856
Energy: 0.29784057573362127
Energy: 0.2919914339739856
Energy: 0.2832704423994489
Energy: 0.2983439926188525
Energy: 0.2869508601644988
Energy: 0.29834399261638883
Energy: 0.2902423953818492
Energy: 0.3022508906577398
Energy: 0.3957590967043434
Energy: 0.3022508906565079
Energy: 0.286464357538824
Energy: 0.28776859355457635
Energy: 0.2987019670283369
Energy: 0.28776859355457635
Energy: 0.2884323042965044
Energy: 0.2919826777992203
Energy: 0.4297681462200561
Energy: 0.2919826777992203
Energy: 0.28316544546801486
Energy: 0.299270146471658
Energy: 0.42113033355888385
Energy: 0.29927014647288985
Energy: 0.2901426743271782
Energy: 0.300365611877689
Energy: 0.502623383040549
Energy: 0.3003656118690659
Energy: 0.35939922752910275
Energy: 0.33342353486155113
Energy: 0.2984019480518293
Energy: 0.33342353486278303
Energy: 0.2885324114827884
Energy: 0.2917431645296816
Energy: 0.41404282230381156
Energy: 0.29174316453091337
Energy: 0.37588359965865104
Energy: 0.2992151284188115
Energy: 0.28702233962452584
Energy: 0.29921512841757963
Energy: 0.29017744519955113
Energy: 0.29889718811270527
Energy: 0.3815458701799465
Energy: 0.2988971881170168
Energy: 0.3758288853609499
Energy: 0.32774521292235714
Energy: 0.2888222864077678
Energy: 0.3277452129248209
Energy: 0.28830300838104533
Energy: 0.2982965022902035
Energy: 0.2833186694065119
Energy: 0.2982965022889716
Energy: 0.37255858147496707
Energy: 0.2991548148403183
Energy: 0.292438794492812
Energy: 0.29915481484093415
Energy: 0.29980328657424304
Energy: 0.29889345570642517
Energy: 0.28519920691268275
Energy: 0.29889345570704107
Energy: 0.4741215267937716
Energy: 0.43164334210023036
Energy: 0.2888832486949066
Energy: 0.4316433421008463
Energy: 0.4220311855508689
Energy: 0.2981553080542668
Energy: 0.28330331424240207
Energy: 0.2981553080542668
Energy: 0.42819455415824964
Energy: 0.42130705201592916
Energy: 0.292350287979273
Energy: 0.4213070520165451
Energy: 0.3000585756179248
Energy: 0.3265125357134146
Energy: 0.28766467676168783
Energy: 0.32651253571649436
Energy: 0.4145041237353151
Energy: 0.43124081717655244
Energy: 0.2888271735505258
Energy: 0.43124081717593643
Energy: 0.28840504133317013
Energy: 0.29808664749659874
Energy: 0.37581455575281986
Energy: 0.29808664749598285
Energy: 0.28865395832434937
Energy: 0.2989606081394945
Energy: 0.29229934545771213
Energy: 0.29896060814257414
Energy: 0.29021316847655687
Energy: 0.32647454186909247
Energy: 0.37356934897308114
Energy: 0.3264745418684766
Energy: 0.2896447770593084
Energy: 0.31793299016188126
Energy: 0.29069773446500907
Energy: 0.3179329901661928
Energy: 0.2967635397208348
Energy: 0.2981252575609604
Energy: 0.3700881402076329
Energy: 0.298125257565888
Energy: 0.2831012519713501
Energy: 0.2989679316497378
Energy: 0.3022972466917865
Energy: 0.298967931647274

minimum gb energy = 0.2831012519713501 eV
minimum distance =  2.59288163492934 Angstroms
sigma value = 15


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

Energy: 0.389542802934053
Energy: 0.27898323282517035
Energy: 0.5143559355845815
Energy: 0.27898323282047427
Energy: 0.44192267629280524
Energy: 0.2776071224130188
Energy: 0.277545950788689
Energy: 0.27760712241510593
Energy: 0.2875993803980925
Energy: 0.27683040008447923
Energy: 0.26940804428948967
Energy: 0.27683040008187026
Energy: 0.39347850192911066
Energy: 0.2777034551188878
Energy: 0.27741624996261666
Energy: 0.27770345511784417
Energy: 0.27604334099808087
Energy: 0.2798545324334635
Energy: 0.28222284273318154
Energy: 0.27985453243085456
Energy: 0.33854077378631126
Energy: 0.27748590800274864
Energy: 0.2775080227051955
Energy: 0.27748590800170503
Energy: 0.2771806363881925
Energy: 0.28225371935809823
Energy: 0.28173179636473966
Energy: 0.2822537193554893
Energy: 0.32352902617676826
Energy: 0.2818074501226281
Energy: 0.27763571031927436
Energy: 0.2818074501236716
Energy: 0.27837266169451896
Energy: 0.2836444319802538
Energy: 0.3908985269097913
Energy: 0.28364443197973194
Energy: 0.2675231609840986
Energy: 0.2771738473182599
Energy: 0.27627917310202915
Energy: 0.2771738473213906
Energy: 0.27709549574079106
Energy: 0.27752258968114885
Energy: 0.3937098782606873
Energy: 0.2775225896769746
Energy: 0.26985231922086556
Energy: 0.2768153052114334
Energy: 0.2885022606181507
Energy: 0.2768153052150384
Energy: 0.27845110613000645
Energy: 0.28372285956486326
Energy: 0.48436315706524374
Energy: 0.2837228595632979
Energy: 0.26766716463308565
Energy: 0.27917685909736367
Energy: 0.3898979717543533
Energy: 0.27917685909736367
Energy: 0.2772227515540453
Energy: 0.27732002814592344
Energy: 0.4854870987426629
Energy: 0.27732002814853235
Energy: 0.33964437173561524
Energy: 0.276960505104978
Energy: 0.28826076624029534
Energy: 0.276960505104978
Energy: 0.2783505086849411
Energy: 0.2827748658969769
Energy: 0.48109500762776486
Energy: 0.2827748658938462
Energy: 0.3517862074120996
Energy: 0.27984129603303315
Energy: 0.27640048203045026
Energy: 0.27984129791321666
Energy: 0.2773018657467679
Energy: 0.2766486156451633
Energy: 0.37867078958695394
Energy: 0.276648615640989
Energy: 0.35307037174106265
Energy: 0.2779599342176593
Energy: 0.2773994786261797
Energy: 0.2779599342124414
Energy: 0.27836697362561624
Energy: 0.2882235410389825
Energy: 0.3781124161437014
Energy: 0.2882235410415914
Energy: 0.3495520674152887
Energy: 0.28219208213778824
Energy: 0.2799290583779867
Energy: 0.28219208213517927
Energy: 0.2771489452967111
Energy: 0.2768704586847338
Energy: 0.26760690271467397
Energy: 0.2768704586816031
Energy: 0.4530835673389165
Energy: 0.2779960424297182
Energy: 0.27751060531018684
Energy: 0.2779960424307618
Energy: 0.2888790520672367
Energy: 0.28852062007397516
Energy: 0.2705371074204209
Energy: 0.2885206200750188
Energy: 0.4416974478570596
Energy: 0.2822104176318398
Energy: 0.27980670278667713
Energy: 0.28221041763079624
Energy: 0.3903478957825563
Energy: 0.2767907391801427
Energy: 0.26745409482640053
Energy: 0.2767907391770121
Energy: 0.48359237154391155
Energy: 0.27768623662395653
Energy: 0.2775456037795037
Energy: 0.2776862366270872
Energy: 0.289028984772827
Energy: 0.2910182484068521
Energy: 0.2706700375507747
Energy: 0.29101824840946106
Energy: 0.39205911406573474
Energy: 0.2824804367197863
Energy: 0.2799567305386551
Energy: 0.2824804367187428
Energy: 0.27726915741271285
Energy: 0.3944874436899179
Energy: 0.3477430158916117
Energy: 0.39448744369252675
Energy: 0.3869633671560155
Energy: 0.27669409398571587
Energy: 0.2775626938146017
Energy: 0.276694093980498
Energy: 0.278645550649481
Energy: 0.29100923929540157
Energy: 0.34971184613434925
Energy: 0.29100923929388356
Energy: 0.27814383665420095
Energy: 0.28818995290695665
Energy: 0.2797614462275593
Energy: 0.28818995290643484
Energy: 0.271537573793176
Energy: 0.27950418897338164
Energy: 0.34357675189769743
Energy: 0.2795041888200241
Energy: 0.2786504729646841
Energy: 0.27646864694858186
Energy: 0.2787770802921018
Energy: 0.276468646950669
Energy: 0.2786165340680867
Energy: 0.3165645149523726
Energy: 0.4510126674304236
Energy: 0.3165645149544597

minimum gb energy = 0.26745409482640053 eV
minimum distance =  2.59797359290265 Angstroms
sigma value = 85


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

Energy: 0.3676475413634759
Energy: 0.26973796351131657
Energy: 0.49975349640427014
Energy: 0.2697379635126742
Energy: 0.4512952415753479
Energy: 0.2670822720733681
Energy: 0.2536476706350388
Energy: 0.2670822720733681
Energy: 0.3512392405033902
Energy: 0.2670617822846475
Energy: 0.24521475319021113
Energy: 0.26706178228555266
Energy: 0.40759533755737
Energy: 0.26713276455149143
Energy: 0.2536431097315158
Energy: 0.26713276455194396
Energy: 0.26620332974373817
Energy: 0.25307651044987656
Energy: 0.26887828556010884
Energy: 0.253076510448519
Energy: 0.364840573435261
Energy: 0.2671115779288954
Energy: 0.25360711503801303
Energy: 0.26711157793070556
Energy: 0.2521630639907676
Energy: 0.27554082824469317
Energy: 0.2665294383517804
Energy: 0.27554082824424064
Energy: 0.33898640849846534
Energy: 0.26626724497534815
Energy: 0.2537786643524724
Energy: 0.2662672449771583
Energy: 0.2532942112806999
Energy: 0.25890147320851675
Energy: 0.33947538218533074
Energy: 0.25890147321032697
Energy: 0.2904386080122952
Energy: 0.2754538687320211
Energy: 0.2524473841608304
Energy: 0.27545386873245314
Energy: 0.25454666508682167
Energy: 0.2670421853031449
Energy: 0.3647649061853778
Energy: 0.2670421853031449
Energy: 0.24264621188785063
Energy: 0.2663673173415092
Energy: 0.26654674287214325
Energy: 0.2663673173424143
Energy: 0.2533130539715293
Energy: 0.2589573498109411
Energy: 0.4260760410287669
Energy: 0.25895734980958346
Energy: 0.246027179326509
Energy: 0.2670393782133473
Energy: 0.3513904660278855
Energy: 0.2670393782133473
Energy: 0.2545060178922564
Energy: 0.2671119740928529
Energy: 0.4532796518136263
Energy: 0.267111974093758
Energy: 0.24289183450568358
Energy: 0.2695097413424328
Energy: 0.3679989230515137
Energy: 0.26950974134198025
Energy: 0.2533483917107735
Energy: 0.25888012467048355
Energy: 0.494844191282718
Energy: 0.25888012467093613
Energy: 0.2925695350953828
Energy: 0.2671217528582099
Energy: 0.35147830021330523
Energy: 0.26712175286002005
Energy: 0.25446927126296326
Energy: 0.2670525176859611
Energy: 0.42896213653967685
Energy: 0.2670525176827933
Energy: 0.31052568356088495
Energy: 0.2694294421537208
Energy: 0.2665397140450901
Energy: 0.26942944215462583
Energy: 0.25340573369745933
Energy: 0.25876368901621355
Energy: 0.4046499181545351
Energy: 0.25876368901666613
Energy: 0.3098848048509851
Energy: 0.26710111811922677
Energy: 0.2524677762444557
Energy: 0.26710111811560644
Energy: 0.2543929488863035
Energy: 0.2662309474185003
Energy: 0.3390742957697091
Energy: 0.26623094741895287
Energy: 0.30925156925783504
Energy: 0.2770541333821579
Energy: 0.25355434928660237
Energy: 0.277054133383063
Energy: 0.2533701000813314
Energy: 0.2663586568867138
Energy: 0.3153864523908704
Energy: 0.2663586568876189
Energy: 0.4022497380769425
Energy: 0.2671781748585278
Energy: 0.2545354641515054
Energy: 0.26717817485535994
Energy: 0.26737166766963383
Energy: 0.2662371051024766
Energy: 0.2424161775970821
Energy: 0.2662371051024766
Energy: 0.40506533528935035
Energy: 0.27702189865297777
Energy: 0.2537162571635151
Energy: 0.2770218986520727
Energy: 0.35213083356163993
Energy: 0.267112123180699
Energy: 0.24572319245874646
Energy: 0.267112123180699
Energy: 0.47502722634045186
Energy: 0.26706166059983816
Energy: 0.25560527941841105
Energy: 0.2670616605984805
Energy: 0.3686645880066227
Energy: 0.26616632962319065
Energy: 0.2423312441788786
Energy: 0.26616632962183295
Energy: 0.4392282454468333
Energy: 0.27546126464991677
Energy: 0.25368601900970456
Energy: 0.2754612646494642
Energy: 0.3521048870893445
Energy: 0.2671580947905096
Energy: 0.2441796409876472
Energy: 0.2671580947918673
Energy: 0.42879056075580285
Energy: 0.2670884459644022
Energy: 0.255353487554205
Energy: 0.2670884459634971
Energy: 0.26726824203365923
Energy: 0.26637745628361353
Energy: 0.3114870381921725
Energy: 0.2663774562854237
Energy: 0.34448692701905786
Energy: 0.27539768717055424
Energy: 0.2535969910603584
Energy: 0.2753976871687441
Energy: 0.25338272568085346
Energy: 0.26628950713434524
Energy: 0.3096931719917846
Energy: 0.26628950713434524
Energy: 0.339072407978266
Energy: 0.2662627739970439
Energy: 0.25444263653325194
Energy: 0.2662627739974965
Energy: 0.2544988077102366
Energy: 0.26631507688717004
Energy: 0.30949898350361243
Energy: 0.26631507688717004
Energy: 0.24444931911991186
Energy: 0.2853494988098033
Energy: 0.2546158519816877
Energy: 0.28534949880754057
Energy: 0.2534552782022091
Energy: 0.2663236749296903
Energy: 0.40228723724045584
Energy: 0.26632367492923775
Energy: 0.24234172511893118
Energy: 0.26630325873607946
Energy: 0.26853259997752404
Energy: 0.2663032587356268
Energy: 0.25432517355255474
Energy: 0.2662389258835752
Energy: 0.4051206885289449
Energy: 0.2662389258822175

minimum gb energy = 0.2423312441788786 eV
minimum distance =  2.60631918115658 Angstroms
sigma value = 113


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

Energy: 0.012276977126658439
Energy: 0.012676522514886225
Energy: 0.5157267743283696
Energy: 0.01267652251386187
Energy: 0.30669498420120894
Energy: 0.1826569278608426
Energy: 0.18234856021599327
Energy: 0.18265692786051402
Energy: 0.012276977126658439
Energy: 0.01267652251523412
Energy: 0.5157267743283696
Energy: 0.01267652251386187
Energy: 0.30669498420120894
Energy: 0.1826569278608426
Energy: 0.18234856021734616
Energy: 0.18265692786119048
Energy: 0.012276977126658439
Energy: 0.01267652251523412
Energy: 0.5157267743283696
Energy: 0.012676522513533305
Energy: 0.30669498420153746
Energy: 0.18265692786119048
Energy: 0.18234856021564536
Energy: 0.18265692786119048

minimum gb energy = 0.012276977126658439 eV
minimum distance =  2.87020805160966 Angstroms
sigma value = 1