Model name: model_name=EAM_Dynamo_PanBorovikovMendelev_2108_AgNi__MO_222110751402_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.5181212425231942
cohesive_energy=4.385853711507128
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
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: 0.0 eV

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

Energy: 0.02025657798356637
Energy: 0.5076192656414173
Energy: 0.5076192656429435
Energy: 0.020256577975935285
Energy: 0.5076192656429435
Energy: 0.5076192656414173
Energy: 0.020256577975935285
Energy: 0.5076192656429435
Energy: 0.5076192656444697
Energy: 0.020256577974409065
Energy: 0.5002096992709983
Energy: 0.023764513085588607
Energy: 0.4999657089109354
Energy: 0.500209699269472
Energy: 0.02376451308406239
Energy: 0.4999657089109354
Energy: 0.500209699269472
Energy: 0.023764513085588607
Energy: 0.4999657089109354
Energy: 0.500209699269472
Energy: 1.3520518386119722
Energy: 0.020861056798229884
Energy: 0.0208610567997561
Energy: 1.413316258024955
Energy: 0.020861056801282318
Energy: 0.020861056801282318
Energy: 1.6300953176377426
Energy: 0.020861056798229884
Energy: 0.0208610567997561
Energy: 1.2688944522996979
Energy: 0.500209699269472
Energy: 0.4999657089109354
Energy: 0.023764513085588607
Energy: 0.5002096992709983
Energy: 0.4999657089109354
Energy: 0.02376451308253617
Energy: 0.5002096992679806
Energy: 0.4999657089109354
Energy: 0.023764513085588607
Energy: 0.500209699269472
Energy: 0.02025657798356637
Energy: 0.5076192656414173
Energy: 0.5076192656398911
Energy: 0.020256577985057898
Energy: 0.5076192656398911
Energy: 0.5076192656414173
Energy: 0.02025657798356637
Energy: 0.5076192656429435
Energy: 0.5076192656398911
Energy: 0.02025657798356637
Energy: 0.5002096992679806
Energy: 0.02376451308253617
Energy: 0.49996570890940917
Energy: 0.5002096992709983
Energy: 0.023764513085588607
Energy: 0.49996570890940917
Energy: 0.500209699269472
Energy: 0.02376451308253617
Energy: 0.4999657089109354
Energy: 0.5002096992709983
Energy: 1.1740601611538124
Energy: 0.020861056801282318
Energy: 0.7835774731201806
Energy: 1.7712268365056525
Energy: 0.0208610567997561
Energy: 0.5600222049836433
Energy: 1.5054795039037205
Energy: 0.020861056801282318
Energy: 0.28877451717021624
Energy: 0.9141245080554758

minimum gb energy = 0.020256577974409065 eV
minimum distance =  2.2137118207888 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

Energy: 1.2800691568940386
Energy: 1.4345584944240202
Energy: 1.4348516470488475
Energy: 1.156823317997583
Energy: 1.434558494431497
Energy: 1.4348516470525858
Energy: 1.280069156882823
Energy: 1.4345584944277587
Energy: 1.4348516470488475
Energy: 1.1568233180013217
Energy: 1.2172189451841027
Energy: 1.2143440244273183
Energy: 1.3703769436232776
Energy: 1.2172189451728874
Energy: 1.214344024408626
Energy: 1.370376943627016
Energy: 1.2172189451841027
Energy: 1.2143440244011492
Energy: 1.370376943627016
Energy: 1.2172189451841027
Energy: 1.200613063373112
Energy: 1.4182956401626752
Energy: 1.3826515643482606
Energy: 1.2474834696607775
Energy: 1.418295640170152
Energy: 1.3826515643370454
Energy: 1.200613063380589
Energy: 1.4182956401664137
Energy: 1.382651564318353
Energy: 1.2474834712377247
Energy: 1.43582155959987
Energy: 1.434681368943944
Energy: 1.07652523934904
Energy: 1.4358215596036084
Energy: 1.434681368936467
Energy: 1.0765252393564486
Energy: 1.4358215595886545
Energy: 1.4346813689476825
Energy: 1.0765252393527784
Energy: 1.4358215595886545
Energy: 1.0122321797356333
Energy: 1.3856217269275455
Energy: 1.3868396581532128
Energy: 1.0122321797318947
Energy: 1.385453012655709
Energy: 1.386477368719724
Energy: 1.012232179724418
Energy: 1.3856217269312838
Energy: 1.3868396581494742
Energy: 1.0122321797356333
Energy: 1.4457810124042367
Energy: 1.076577840432371
Energy: 1.4185282005940574
Energy: 1.445781012407975
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Energy: 1.4457810124004984
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Energy: 1.0765378245923811
Energy: 1.4546867001812591
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Energy: 1.0765378246035966
Energy: 1.4546867001775206
Energy: 1.4518137064880239
Energy: 1.0765378245886428
Energy: 1.4546867001812591
Energy: 1.4518137064842855
Energy: 1.3958504601411552
Energy: 1.3955986941578251
Energy: 1.2068938969573282
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Energy: 1.3955986941540865
Energy: 1.206881538922145
Energy: 1.3958504601411552
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Energy: 1.2068938969648053
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Energy: 1.4344566455397476
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Energy: 1.4344566455360093
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Energy: 1.4359665175481688
Energy: 1.162773510616476
Energy: 1.2669705857287021
Energy: 1.445123034961554
Energy: 1.0382867947209429
Energy: 1.342958613805222
Energy: 1.4451230349578157
Energy: 1.145467737973807
Energy: 1.2669705857287021
Energy: 1.445123034961554
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Energy: 1.3698840146245546
Energy: 1.2145049723796437
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Energy: 1.0765729914273838
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Energy: 1.148010296593149
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Energy: 1.2293187914440107
Energy: 1.3106590599963226
Energy: 1.3453470427884222
Energy: 1.229318791421648
Energy: 1.3086426835814584
Energy: 1.3453470427996375
Energy: 1.2293187914365338
Energy: 1.3106590611958224
Energy: 1.3453470427846839
Energy: 1.2293187914440107
Energy: 1.4527601937580463
Energy: 1.0761656294130713
Energy: 1.4518037897747365
Energy: 1.4527601937580463
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Energy: 1.4518037897597829
Energy: 1.452760193746831
Energy: 1.0761656294055943
Energy: 1.451803789752306
Energy: 1.452760193746831
Energy: 1.3894048916600323
Energy: 1.3899888434652965
Energy: 1.2137240765208683
Energy: 1.3894048916600323
Energy: 1.389988843461558
Energy: 1.2140642958999244
Energy: 1.3894048916600323
Energy: 1.3899888434802503
Energy: 1.2137240765320838
Energy: 1.389404891674986
Energy: 1.20352065490165
Energy: 1.1895554376541402
Energy: 1.526270891671545
Energy: 1.2035206549053885
Energy: 1.1895554378783113
Energy: 1.526270891671545
Energy: 1.2035206549053885
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Energy: 1.5262708916678065
Energy: 1.20352065490165
Energy: 1.2867712802907518
Energy: 1.4361700865094675
Energy: 1.4348750661193252
Energy: 1.160391709348166
Energy: 1.4361700865019906
Energy: 1.434875066115587
Energy: 1.286771280316921
Energy: 1.4361700865057292
Energy: 1.4348750661268022
Energy: 1.1603917093406892
Energy: 1.3696416490568044
Energy: 1.2069822370758856
Energy: 1.369743339220768
Energy: 1.3696416490754288
Energy: 1.2069822370721472
Energy: 1.3697433392132912
Energy: 1.3696416490791674
Energy: 1.2069822370646701
Energy: 1.3697433392245064
Energy: 1.3696416490642815
Energy: 1.435069424475416
Energy: 1.4361483722276438
Energy: 1.0764757821606707
Energy: 1.435069424467939
Energy: 1.4361483722351205
Energy: 1.0764757821718862
Energy: 1.435069424460462
Energy: 1.4361483722239052
Energy: 1.0764757821681477
Energy: 1.4350694244716775
Energy: 1.445425385591031
Energy: 1.2076499804246286
Energy: 1.0821902257013527
Energy: 1.4454253855947696
Energy: 1.2075635513133725
Energy: 1.0821902257013527
Energy: 1.445425385591031
Energy: 1.2076499804283671
Energy: 1.0821902257088296
Energy: 1.445425385591031
Energy: 1.0122021074540828
Energy: 1.3869266454628941
Energy: 1.38573975280117
Energy: 1.0122021074540828
Energy: 1.3892254602640774
Energy: 1.3861098476224323
Energy: 1.0122021074503442
Energy: 1.3869266454741094
Energy: 1.3857397528086468
Energy: 1.0122021074503442
Energy: 1.4576307207904646
Energy: 1.076612314988988
Energy: 1.4514346830139873
Energy: 1.4576307207792494
Energy: 1.076612314981511
Energy: 1.4514346829915568
Energy: 1.4576307207829877
Energy: 1.0766123149777727
Energy: 1.4514346829803413
Energy: 1.457630720786726
Energy: 1.2147307997879222
Energy: 1.474553443451518
Energy: 1.2284168207087842
Energy: 1.2147307997879222
Energy: 1.4745534434477794
Energy: 1.2284168207087842
Energy: 1.2147307997879222
Energy: 1.4745534434403025
Energy: 1.2284168207162613
Energy: 1.214730799795399
Energy: 1.2391055843922651
Energy: 1.389465854094987
Energy: 1.2141225591220488
Energy: 1.2391055843922651
Energy: 1.38946585408751
Energy: 1.214324648096443
Energy: 1.2391055843922651
Energy: 1.3894658540837714
Energy: 1.2141225591295257
Energy: 1.2391055843810497
Energy: 1.2411161998470182
Energy: 1.4345584944202818
Energy: 1.4348516470525858
Energy: 1.1594577490575575
Energy: 1.434558494431497
Energy: 1.4348516470525858
Energy: 1.2411161998470182
Energy: 1.4345584944277587
Energy: 1.4348516470488475
Energy: 1.1594577490500804
Energy: 1.217218945176626
Energy: 1.2143440244310568
Energy: 1.370376943619539
Energy: 1.2172189451728874
Energy: 1.214344024416103
Energy: 1.370376943627016
Energy: 1.217218945176626
Energy: 1.214344024416103
Energy: 1.3703769436232776
Energy: 1.2172189451841027
Energy: 1.2475750645225578
Energy: 1.4182956401551983
Energy: 1.3826515643333068
Energy: 1.2478966717374704
Energy: 1.4182956401626752
Energy: 1.382651564318353
Energy: 1.2475750645449888
Energy: 1.4182956401626752
Energy: 1.38265156432583
Energy: 1.2478966717038245
Energy: 1.43582155959987
Energy: 1.434681368943944
Energy: 1.0765252393527784
Energy: 1.435821559607347
Energy: 1.434681368936467
Energy: 1.07652523934904
Energy: 1.4358215595886545
Energy: 1.434681368943944
Energy: 1.0765252393564486
Energy: 1.4358215595849164

minimum gb energy = 1.0122021074503442 eV
minimum distance =  2.24872474732721 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

Energy: 1.442589317482783
Energy: 1.1324931608212263
Energy: 1.1317357187653398
Energy: 1.3164418817099146
Energy: 1.1324931608121054
Energy: 1.1317357187616914
Energy: 1.4425893174864315
Energy: 1.1324931608139295
Energy: 1.131735718767164
Energy: 1.3164418817099146
Energy: 1.3337557268635547
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Energy: 1.3491040929961597
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Energy: 1.39222419053164
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Energy: 1.1289641664093852
Energy: 1.364919653293709
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Energy: 1.128964166396616
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Energy: 1.3677565744750724
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Energy: 1.331139160540961
Energy: 1.136263389753214
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Energy: 1.2001272910569976
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Energy: 1.3429293731935075
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Energy: 1.3638686125338384
Energy: 1.4364733472899969
Energy: 1.2129295489835925
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Energy: 1.3505883037202968
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Energy: 1.1281951132635757
Energy: 1.246019045280587
Energy: 1.3416562088720225
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minimum gb energy = 1.1268154106064359 eV
minimum distance =  2.15482697771602 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 1.3496895112316896
Energy: 1.357538582746258
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Energy: 1.3496895112316896
Energy: 1.3259324356598534
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Energy: 1.4470045548053032
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Energy: 1.3259324356495639
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Energy: 1.4470045548176511
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Energy: 1.2711169499519723
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Energy: 1.301384075004984
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Energy: 1.2734099917797443
Energy: 1.4633346592921601
Energy: 1.2815902515482078
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Energy: 1.2815902515461501
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Energy: 1.327081879896213
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Energy: 1.351402804764556
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Energy: 1.3637368955045506
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Energy: 1.449782891264059
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Energy: 1.429054416107222
Energy: 1.372222048377668
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Energy: 1.4325119788718825
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Energy: 1.2816218058790392
Energy: 1.294486460652737
Energy: 1.3886195518246238
Energy: 1.2816218058769813
Energy: 1.294486460654795
Energy: 1.3886195518205078
Energy: 1.2816218058852131
Energy: 1.2944864606568531
Energy: 1.3886195518266815
Energy: 1.2816218058790392
Energy: 1.3398353049134528
Energy: 1.3553040276521984
Energy: 1.3958734714479046
Energy: 1.339835304909337
Energy: 1.3553040276563142
Energy: 1.395873471456099
Energy: 1.339835304911395
Energy: 1.3553040276542565
Energy: 1.3958734714458467
Energy: 1.3398353049155107
Energy: 1.3598903044494473
Energy: 1.3922046480282477
Energy: 1.407847757509576
Energy: 1.3598903044473893
Energy: 1.3920287783256398
Energy: 1.4078477575178074
Energy: 1.3598903044535633
Energy: 1.392204648024132
Energy: 1.4078477575198656
Energy: 1.3598903044535633
Energy: 1.44271204061022
Energy: 1.3817442513833744
Energy: 1.3256937401045943
Energy: 1.4427120406061043
Energy: 1.3817561910104907
Energy: 1.3256937401045943
Energy: 1.4427120406061043
Energy: 1.3817442513854326
Energy: 1.3256937401004785
Energy: 1.44271204061022
Energy: 1.2851689053431778
Energy: 1.4100025446387756
Energy: 1.2681092538038607
Energy: 1.2851689053451985
Energy: 1.4100025446470075
Energy: 1.2681092538038607
Energy: 1.28516890534112
Energy: 1.4100025446408335
Energy: 1.268109253793571
Energy: 1.28516890534112
Energy: 1.3741985121322355
Energy: 1.481112239398457
Energy: 1.234406115157579
Energy: 1.3741985121322355
Energy: 1.470197871981699
Energy: 1.2344061151514047
Energy: 1.3741985121363514
Energy: 1.4811122393963994
Energy: 1.234406115147289
Energy: 1.3741985121384095
Energy: 1.4842955565966092
Energy: 1.3720180383544585
Energy: 1.4024775760527763
Energy: 1.4842955566027831
Energy: 1.3721597855607224
Energy: 1.4024775760589503
Energy: 1.4842955565924933
Energy: 1.372018038344169
Energy: 1.4024775760548345
Energy: 1.4842955565966092
Energy: 1.3222974395226144
Energy: 1.3269909062195222
Energy: 1.4403531847902389
Energy: 1.3222974395246725
Energy: 1.3269436742611684
Energy: 1.4403531847881808
Energy: 1.3222974395226144
Energy: 1.326990906223638
Energy: 1.4403531848005284
Energy: 1.3222974395184985

minimum gb energy = 1.234406115147289 eV
minimum distance =  2.22760637320666 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 1.2211652176114074
Energy: 1.3685172261855991
Energy: 1.368527471124661
Energy: 1.2211652176121137
Energy: 1.3685172261848924
Energy: 1.3685274711303133
Energy: 1.2211652176114074
Energy: 1.3685172261848924
Energy: 1.368527471124661
Energy: 1.2211652176114074
Energy: 1.3517803154477428
Energy: 1.240685193063695
Energy: 1.39793724782443
Energy: 1.3517803154484493
Energy: 1.2406851930594562
Energy: 1.3979372478265497
Energy: 1.3517803154456232
Energy: 1.2406851930629885
Energy: 1.3979372478293757
Energy: 1.351780315449156
Energy: 1.324696367347522
Energy: 1.4439755878674432
Energy: 1.1926343286264303
Energy: 1.3246963673538805
Energy: 1.4439755878971163
Energy: 1.1926343286278431
Energy: 1.3246963673496417
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Energy: 1.3246963673432832
Energy: 1.4770852487431805
Energy: 1.4970303096076043
Energy: 1.238567093210117
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Energy: 1.238567093210823
Energy: 1.4770852487389416
Energy: 1.3094376333606104
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Energy: 1.3171117049060879
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Energy: 1.5499434046882965
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Energy: 1.2380502224150762
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Energy: 1.2380502224115437
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Energy: 1.2380502224143697
Energy: 1.482546097843522
Energy: 1.3537262795821885
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Energy: 1.40916327692747
Energy: 1.353726279574417
Energy: 1.3679096682239933
Energy: 1.409163276937361
Energy: 1.353726279580069
Energy: 1.367909668228939
Energy: 1.4091632769281766
Energy: 1.353726279573004
Energy: 1.239471961445159
Energy: 1.4765508136942387
Energy: 1.5492985655762468
Energy: 1.2394719614402137
Energy: 1.4765508136942387
Energy: 1.5492985655769536
Energy: 1.2394719614458656
Energy: 1.4765508137005972
Energy: 1.5492985655783662
Energy: 1.239471961439507
Energy: 1.292332675832227
Energy: 1.3171224183327945
Energy: 1.4224345151507216
Energy: 1.2923554744338224
Energy: 1.3171224183327945
Energy: 1.422434515162732
Energy: 1.309322343826346
Energy: 1.3171224183327945
Energy: 1.4224345151521345
Energy: 1.2921831825257653
Energy: 1.477091693066267
Energy: 1.2385280013735818
Energy: 1.4971378312779413
Energy: 1.4770916930683864
Energy: 1.2385280013636908
Energy: 1.49713783127017
Energy: 1.4770916930648539
Energy: 1.2385280013728752
Energy: 1.497137831275822
Energy: 1.4770916930669735
Energy: 1.3247479681745815
Energy: 1.192150940036669
Energy: 1.4439907048976208
Energy: 1.3247479682239724
Energy: 1.1921509400211259
Energy: 1.4439907054251202
Energy: 1.324747968182353
Energy: 1.1921509400359627
Energy: 1.443990704018412
Energy: 1.3247479683807517
Energy: 1.3518751248479481
Energy: 1.3980128601470982
Energy: 1.2409193730222292
Energy: 1.3518751248465348
Energy: 1.3980128601407396
Energy: 1.2409193730257615
Energy: 1.351875124845122
Energy: 1.3980128601492177
Energy: 1.2409193730215227
Energy: 1.3518751248507739
Energy: 1.2211652176177659
Energy: 1.3685172261834795
Energy: 1.3685274711218351
Energy: 1.2211652176142334
Energy: 1.3685172261834795
Energy: 1.3685274711253679
Energy: 1.2211652176184724
Energy: 1.368517226182773
Energy: 1.3685274711211288
Energy: 1.2211652176149397

minimum gb energy = 1.1921509400211259 eV
minimum distance =  2.24993799008647 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 1.3883839832374132
Energy: 1.279210897787351
Energy: 1.2796382453334654
Energy: 1.350952602137222
Energy: 1.279210897787351
Energy: 1.279638245327983
Energy: 1.388383983221016
Energy: 1.2792108977900924
Energy: 1.2796382453170185
Energy: 1.3509526021345306
Energy: 1.2753342624184578
Energy: 1.089647348112987
Energy: 1.3259101348492432
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Energy: 1.325910134868431
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Energy: 1.3259101348711724
Energy: 1.2753342624184578
Energy: 1.1622870682931383
Energy: 1.0944117510859843
Energy: 1.1357881507891707
Energy: 1.162696827465802
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Energy: 1.1359144703991235
Energy: 1.1622870682876558
Energy: 1.0944117510832434
Energy: 1.1357881507809473
Energy: 1.1626968274712846
Energy: 1.1357080068671273
Energy: 1.1356017562908494
Energy: 1.1327560823897558
Energy: 1.1357080068589538
Energy: 1.1356017562826257
Energy: 1.1330470888746769
Energy: 1.135708006847989
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Energy: 1.132756082392497
Energy: 1.1357080068425067
Energy: 1.161314704270647
Energy: 1.347211707757156
Energy: 1.1109244703506418
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Energy: 1.3472117077544148
Energy: 1.1107166245836853
Energy: 1.1613147042596825
Energy: 1.347211707757156
Energy: 1.110924470353383
Energy: 1.1613147042651648
Energy: 1.1192237916000112
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Energy: 1.119223791594529
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Energy: 1.11922379159727
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Energy: 1.1093786548514943
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Energy: 1.258061510716682
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Energy: 1.1612126600487849
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Energy: 1.1196013710049537
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Energy: 1.119601371010436
Energy: 1.2853976291155027
Energy: 1.1110538280799025
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Energy: 1.1998957560097596
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Energy: 1.3013478316297895
Energy: 1.0901446658778737
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Energy: 1.0924882331857393
Energy: 1.129051723909331
Energy: 1.109657645973244
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Energy: 1.281309956668742
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Energy: 1.28130995666326
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Energy: 1.183068462471609
Energy: 1.2147559772864946
Energy: 1.2180808865279147
Energy: 1.223202972642342
Energy: 1.3513914698023415
Energy: 1.218080886536138
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Energy: 1.2232029726286362
Energy: 1.3513914698105651
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Energy: 1.094205998717422
Energy: 1.293675410339897
Energy: 1.2246656003126877
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Energy: 1.2246656003072052
Energy: 1.0942059987201633
Energy: 1.293675410339897
Energy: 1.2246656003072052
Energy: 1.229551901249831
Energy: 1.1215670632358057
Energy: 1.1090374479214162
Energy: 1.2295519012717107
Energy: 1.1215670632220998
Energy: 1.1090894301559522
Energy: 1.2295519012443488
Energy: 1.1215670632330648
Energy: 1.1090374479022775
Energy: 1.2295519012553133
Energy: 1.2304944296484883
Energy: 1.317925854644535
Energy: 1.111341035966896
Energy: 1.2304944296567117
Energy: 1.317925854628088
Energy: 1.111124825708581
Energy: 1.2304944296676763
Energy: 1.3179258546198644
Energy: 1.1113410359559315
Energy: 1.2304944296567117
Energy: 1.1109822348245328
Energy: 1.3652316462097278
Energy: 1.1610685827036362
Energy: 1.1109822348327563
Energy: 1.3652316462124692
Energy: 1.1610685827008953
Energy: 1.1109822348217917
Energy: 1.3652316462097278
Energy: 1.1610685827091187
Energy: 1.1109822348163092
Energy: 1.112068253075187
Energy: 1.1369651371040526
Energy: 1.1370426417846864
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Energy: 1.1369651371149676
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Energy: 1.1120682530724462
Energy: 1.136965137109485
Energy: 1.1370426417983923
Energy: 1.1120682530779282
Energy: 1.1083072498847235
Energy: 1.197096033009384
Energy: 1.2279469309111823
Energy: 1.1083072498819824
Energy: 1.19709603302304
Energy: 1.2279469309248883
Energy: 1.1083072498847235
Energy: 1.1970960330285223
Energy: 1.2279469309276296
Energy: 1.1083072498819824
Energy: 1.2925689411886527
Energy: 1.0897626556701323
Energy: 1.243542904547407
Energy: 1.2925689411886527
Energy: 1.0897626556673912
Energy: 1.2435429045364423
Energy: 1.2925689411941352
Energy: 1.0897626556865294
Energy: 1.24354290453096
Energy: 1.2925689411859116
Energy: 1.2768221306426757
Energy: 1.2777669434073995
Energy: 1.3512106767352645
Energy: 1.2768221306317111
Energy: 1.2777669434019172
Energy: 1.351210676746229
Energy: 1.2768221306234875
Energy: 1.2777669434019172
Energy: 1.3512106767489702
Energy: 1.2768221306317111
Energy: 1.0896137083628399
Energy: 1.2797192649735787
Energy: 1.1831315763892538
Energy: 1.0896137083600985
Energy: 1.278150734561736
Energy: 1.183131576383771
Energy: 1.0896137083600985
Energy: 1.279719264981802
Energy: 1.1831315763865127
Energy: 1.0896137083546165
Energy: 1.096554438806846
Energy: 1.1321549599692604
Energy: 1.1339153428829531
Energy: 1.0965544388041049
Energy: 1.1321631237785006
Energy: 1.1337011227351192
Energy: 1.0965544388013637
Energy: 1.1321549599829666
Energy: 1.1339153428692474
Energy: 1.0965544388287256
Energy: 1.1095353774875734
Energy: 1.1104084466853938
Energy: 1.1356027085878
Energy: 1.1095353774903147
Energy: 1.1103922910207067
Energy: 1.1356027085823177
Energy: 1.109535377498538
Energy: 1.110408446674429
Energy: 1.1356027085768352
Energy: 1.1095353774930556
Energy: 1.347600137086402
Energy: 1.1290647646741792
Energy: 1.2277734400089244
Energy: 1.3476001370836608
Energy: 1.1290712259608096
Energy: 1.227773440014407
Energy: 1.3476001371083313
Energy: 1.129064764687885
Energy: 1.227773440014407
Energy: 1.3476001371110724
Energy: 1.2938436560353066
Energy: 1.2781184820360711
Energy: 1.1156630157323197
Energy: 1.2938436560544448
Energy: 1.278118482049777
Energy: 1.1156630157432843
Energy: 1.2938436560626683
Energy: 1.2781184820580005
Energy: 1.1156630157624725
Energy: 1.2938436560434803

minimum gb energy = 1.0896137083546165 eV
minimum distance =  2.19600398905483 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

Energy: 0.9085508503915605
Energy: 0.6797765877228286
Energy: 0.6801063247042759
Energy: 0.6911352096287002
Energy: 0.6797765877179182
Energy: 0.6801063246987147
Energy: 0.9085508503873008
Energy: 0.6797765877192196
Energy: 0.6801063246984189
Energy: 0.691135209628996
Energy: 0.8602299848351868
Energy: 0.6718272960667159
Energy: 0.7818080202440181
Energy: 0.8602299848368434
Energy: 0.6718272960611547
Energy: 0.9139658718724443
Energy: 0.860229984832288
Energy: 0.6718272960758268
Energy: 0.7818080202336056
Energy: 0.860229984838145
Energy: 0.6331820986310909
Energy: 0.6793812077181587
Energy: 0.7158295686834508
Energy: 0.7441503468464006
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Energy: 0.6676644723923977
Energy: 0.633182098624938
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Energy: 0.7441503468317876
Energy: 0.8992726918377733
Energy: 0.6803742404624443
Energy: 0.8105295935191388
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Energy: 0.6837744127220903
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Energy: 0.6346626182387334
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Energy: 0.6703119598603401
Energy: 0.6346626182566003
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Energy: 0.921339227524058
Energy: 0.7816247665374079
Energy: 0.8092213158797705
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Energy: 0.7940914383314575
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Energy: 0.8092213158911296
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Energy: 0.6838177832391862
Energy: 0.8465596069603059
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Energy: 0.9179165937191393
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Energy: 0.8439285668168638
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Energy: 0.6251527435544963
Energy: 0.5786579178931973
Energy: 0.6178981653174311
Energy: 0.7127826040427893
Energy: 0.6333110789495552
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Energy: 0.5786579178834355
Energy: 0.6178981653093258
Energy: 0.7127826040492969
Energy: 0.6333110789417458
Energy: 0.8242304649818126
Energy: 0.8643605421230329
Energy: 0.6707817408884292
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Energy: 0.8242304649792095
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Energy: 0.6707817408776617
Energy: 0.824230464983055
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Energy: 0.6797765877195746
Energy: 0.680106324706524
Energy: 0.5787420636706595
Energy: 0.6797765877140134
Energy: 0.6801063247019686
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Energy: 0.6797765877176223
Energy: 0.6801063246961117
Energy: 0.5787420636710146
Energy: 0.8225626466705648
Energy: 0.6718272960641128
Energy: 0.7825915035970159
Energy: 0.8225626466696181
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Energy: 0.9431695045777443
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Energy: 0.6718272960764775
Energy: 0.7825915035888514
Energy: 0.8225626466657137
Energy: 0.5786749025567509
Energy: 0.6793812077139583
Energy: 0.6676821292720024
Energy: 0.6331782101228843
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Energy: 0.615875867641081
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Energy: 0.6793812077103493
Energy: 0.6676821292866153
Energy: 0.6331782101157257
Energy: 0.8992726918429204
Energy: 0.6803742404617935
Energy: 0.810529593525351
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Energy: 0.8105295935145835
Energy: 0.8992726918533328
Energy: 0.6803742404445183
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Energy: 0.6837744127240426
Energy: 0.6703119598583878
Energy: 0.6346561349239012
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Energy: 0.6703119598619967
Energy: 0.694750291310343
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Energy: 0.6703119598583878
Energy: 0.6346561349320065
Energy: 0.6837744127220903
Energy: 0.9213392275227564
Energy: 0.8099244949844493
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Energy: 0.9213392275243536
Energy: 0.8404811037771672
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Energy: 0.9213392275234071
Energy: 0.8099244949841534
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Energy: 0.9213392275195024
Energy: 0.6838177832391862
Energy: 0.807507518532369
Energy: 0.9165913793413386
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Energy: 0.8075075185333747
Energy: 0.9165913793455983
Energy: 0.6838177832375889
Energy: 0.8075075185333747
Energy: 0.9165913793400369
Energy: 0.6838177832372339
Energy: 0.9179165937188434
Energy: 0.6941479158755008
Energy: 0.6708124231582667
Energy: 0.91791659370778
Energy: 0.6348281876398688
Energy: 0.6708124231534155
Energy: 0.9179165937045263
Energy: 0.6941479158735485
Energy: 0.6708124231637688
Energy: 0.9179165937038755
Energy: 0.6912129407807487
Energy: 0.8439285668149115
Energy: 0.6804308096073021
Energy: 0.6912129407824052
Energy: 0.8439285668162131
Energy: 0.6804308096036933
Energy: 0.6912129407765482
Energy: 0.8439285668145564
Energy: 0.6804308096023917
Energy: 0.6912129407716378
Energy: 0.6333165333333554
Energy: 0.6604101820660029
Energy: 0.7127826040427893
Energy: 0.7441768808232946
Energy: 0.7489306817050125
Energy: 0.7127826040492969
Energy: 0.6333165333307522
Energy: 0.6604101820533422
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Energy: 0.6707817408786675
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Energy: 0.6707817408646461
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Energy: 0.8643605421168209
Energy: 0.6707817408757094
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Energy: 0.9085508503935128
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Energy: 0.6801063246984189
Energy: 0.6911352096237898
Energy: 0.8602299848338852
Energy: 0.6718272960608589
Energy: 0.7818080202088759
Energy: 0.8602299848325837
Energy: 0.671827296054351
Energy: 0.9139658718704919
Energy: 0.8602299848303356
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Energy: 0.8602299848355419
Energy: 0.633182098627482
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Energy: 0.7158295686912602
Energy: 0.7441503468477022
Energy: 0.6793812077272696
Energy: 0.6676644723956517
Energy: 0.633182098621684
Energy: 0.6793812077152597
Energy: 0.7158295686828001
Energy: 0.7441503468346866
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Energy: 0.6803742404643967
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Energy: 0.8992726918565868
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Energy: 0.8105295935136368
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Energy: 0.6803742404468256
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Energy: 0.8992726918474757
Energy: 0.6837744127278882
Energy: 0.6703119598642449
Energy: 0.6346626182448861
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Energy: 0.6703119598613458
Energy: 0.6938902323229656
Energy: 0.6837744127317928
Energy: 0.6703119598596893
Energy: 0.6346626182566003
Energy: 0.6837744127233918
Energy: 0.9213392275269568
Energy: 0.781624766545868
Energy: 0.8092213158797705
Energy: 0.9213392275210998
Energy: 0.7940914480819931
Energy: 0.8467782176622504
Energy: 0.9213392275188517
Energy: 0.781624766545513
Energy: 0.809221315893437
Energy: 0.9213392275224013
Energy: 0.6838177832382397
Energy: 0.8465596069655121
Energy: 0.9165913793426401
Energy: 0.6838177832336841
Energy: 0.807507518532369
Energy: 0.9165913793471956
Energy: 0.6838177832349858
Energy: 0.8465596069687661
Energy: 0.9165913793361324
Energy: 0.683817783228478
Energy: 0.917916593716891
Energy: 0.6949752041760328
Energy: 0.6708124231628222
Energy: 0.9179165937103833
Energy: 0.6348403874003218
Energy: 0.6708124231582667
Energy: 0.9179165937080759
Energy: 0.6949752041740804
Energy: 0.6708124231715782
Energy: 0.9179165937009173
Energy: 0.691212940788913
Energy: 0.8439285668230165
Energy: 0.6804308096099052
Energy: 0.625152743552544
Energy: 0.8831577393437999
Energy: 0.680430809604699
Energy: 0.6912129407761932
Energy: 0.8439285668240224
Energy: 0.6804308096073021
Energy: 0.6251527435515973
Energy: 0.5786579178866894
Energy: 0.6178981653161295
Energy: 0.71278260404344
Energy: 0.6333110789439939
Energy: 0.6604104229924036
Energy: 0.7127826040473445
Energy: 0.5786579178766319
Energy: 0.6178981653125798
Energy: 0.7127826040505986
Energy: 0.6333110789339363
Energy: 0.8242304649882614
Energy: 0.8643605421301915
Energy: 0.6707817408796141
Energy: 0.8242304649805111
Energy: 0.8643605421191283
Energy: 0.6707817408689057
Energy: 0.8242304649808069
Energy: 0.864360542113922
Energy: 0.6707817408783125
Energy: 0.824230464986309

minimum gb energy = 0.5786579178766319 eV
minimum distance =  2.31343467969219 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 1.1152518328101062
Energy: 1.1636651816551074
Energy: 1.1401775902232867
Energy: 1.1152518328297554
Energy: 1.1636651816622525
Energy: 1.1401775902304319
Energy: 1.1152518328226104
Energy: 1.1636651816568935
Energy: 1.1401775902232867
Energy: 1.1152518328243968
Energy: 1.1170471567980935
Energy: 1.0637060717499727
Energy: 1.1188605645009648
Energy: 1.1170471567980935
Energy: 1.0637060717499727
Energy: 1.1188605644920333
Energy: 1.1170471567998799
Energy: 1.0637060717499727
Energy: 1.1188605645045373
Energy: 1.1170471567927347
Energy: 1.1421558205571583
Energy: 1.1032267682411643
Energy: 1.1081713225884042
Energy: 1.1421558205535856
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Energy: 1.1081713225866179
Energy: 1.1408539817794152
Energy: 1.1032267682429506
Energy: 1.1081713225884042
Energy: 1.1406281887751397
Energy: 1.2914971089940745
Energy: 1.0651174920163031
Energy: 1.0970109582949297
Energy: 1.2914971089922884
Energy: 1.0651174920180895
Energy: 1.097010958298502
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Energy: 1.0651174920163031
Energy: 1.0970109582770664
Energy: 1.2914971089922884
Energy: 1.1175372620386768
Energy: 1.1471304729677605
Energy: 1.068120305814327
Energy: 1.1175372620368904
Energy: 1.1471304729659741
Energy: 1.0681203058286175
Energy: 1.1175372620261725
Energy: 1.1471304729659741
Energy: 1.0681203058161133
Energy: 1.117537262035104
Energy: 1.1004205403571892
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Energy: 1.1263458148941607
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Energy: 1.1624266468285962
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Energy: 1.056305235528145
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Energy: 1.0563052355174272
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Energy: 1.0630696644438826
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Energy: 1.1753041138225193
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Energy: 1.1753041138225193
Energy: 1.1612040217400286
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Energy: 1.1330813529842116
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Energy: 1.0643267370095897
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Energy: 1.0907947804104328
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Energy: 1.0941168234413754
Energy: 1.0907947804157916
Energy: 1.0643267369988718
Energy: 1.101778715272248
Energy: 1.088975703657863
Energy: 1.0889127564801482
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Energy: 1.0889757036542902
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Energy: 1.0889757036560765
Energy: 1.0889127564783618
Energy: 1.1017787152793932
Energy: 1.0634814729207314
Energy: 1.1078921317974448
Energy: 1.1358824822265128
Energy: 1.0634814729117996
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Energy: 1.1358824822300857
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Energy: 1.107892131793872
Energy: 1.1358824822265128
Energy: 1.0634814729100133
Energy: 1.1611635091444077
Energy: 1.1506557657218106
Energy: 1.1397947836392184
Energy: 1.1611635091497665
Energy: 1.1506557657146652
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Energy: 1.1611635091444077
Energy: 1.1506557657218106
Energy: 1.1397947836410045
Energy: 1.1611635091479802
Energy: 1.1619242392374427
Energy: 1.1103062154045098
Energy: 1.0632088989809785
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Energy: 1.1103062154062961
Energy: 1.06320889898991
Energy: 1.1619242392374427
Energy: 1.1103062154062961
Energy: 1.0632088989809785
Energy: 1.161924239224971
Energy: 1.162665696297547
Energy: 1.2532665905256897
Energy: 1.0563494576221042
Energy: 1.1626656963028732
Energy: 1.2532665905221172
Energy: 1.0563494576381807
Energy: 1.162665696297547
Energy: 1.2532665905256897
Energy: 1.0563494576203178
Energy: 1.1626656963046595
Energy: 1.137975406308698
Energy: 1.1930775867245098
Energy: 1.0830568046493485
Energy: 1.1379754063104843
Energy: 1.193077586733441
Energy: 1.083056804656494
Energy: 1.1379754063069116
Energy: 1.1930775867262962
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Energy: 1.1060558587686848
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Energy: 1.12915870318653
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Energy: 1.0947881475612595
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Energy: 1.1861239696887091
Energy: 1.1347797412686027
Energy: 1.11482110644058
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Energy: 1.1347797412793204
Energy: 1.1148211064370073
Energy: 1.1861239696904955
Energy: 1.1347797412686027
Energy: 1.1148211064423337
Energy: 1.1700747708917345
Energy: 1.1566907879001282
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Energy: 1.1700747708738715
Energy: 1.1566907878983421
Energy: 1.1246071783214968
Energy: 1.1700747708899482
Energy: 1.1566907879001282
Energy: 1.1246071783143516
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Energy: 1.1331694940284005
Energy: 1.1109716403424545
Energy: 1.1616824895997622
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Energy: 1.1109716403442407
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Energy: 1.1331694940284005
Energy: 1.1109716403424545
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Energy: 1.0722544636012616
Energy: 1.0957351331774363
Energy: 1.0683471768108013
Energy: 1.0722544635923301
Energy: 1.0957351331703238
Energy: 1.068347176800116

minimum gb energy = 1.0563052355174272 eV
minimum distance =  2.16283674109705 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

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Energy: 1.4879606924777817
Energy: 1.2973767503172084
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Energy: 1.3503231317940894
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Energy: 1.3503231317940894
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Energy: 1.2943303102122545
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Energy: 1.3409355027806393
Energy: 1.2945753374367577
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Energy: 1.29457533743794
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Energy: 1.2945753374343933
Energy: 1.3057250909996154
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Energy: 1.4540863389304894
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Energy: 1.4540863389328538
Energy: 1.305725091044539
Energy: 1.3591439882959329
Energy: 1.4540863389304894
Energy: 1.305725091056361

minimum gb energy = 1.2853116396692748 eV
minimum distance =  2.16955494399042 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

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Energy: 1.4567071170903378
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Energy: 1.4937671482783121
Energy: 1.4567071170946981
Energy: 1.4896349553095751
Energy: 1.4937671483000359
Energy: 1.456404339888039
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minimum gb energy = 1.4464154969502965 eV
minimum distance =  2.14106305481928 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 1.4388398505604976
Energy: 1.5361605174609771
Energy: 1.513682422062261
Energy: 1.4388398505658382
Energy: 1.5361605174609771
Energy: 1.5136824220595906
Energy: 1.4388398505604976
Energy: 1.5361605174583066
Energy: 1.4826379526820215
Energy: 1.504213762253594
Energy: 1.5040016277714545
Energy: 1.4826379526820215
Energy: 1.5042137622562646
Energy: 1.5040016277687842
Energy: 1.4826379526820215
Energy: 1.5042137622562646
Energy: 1.5040016277714545
Energy: 1.4826379526820215
Energy: 1.5361516676534022
Energy: 1.4388334041729638
Energy: 1.5137149283099949
Energy: 1.5361516676534022
Energy: 1.4388334041702935
Energy: 1.5137149283099949
Energy: 1.5361516676534022
Energy: 1.4388334041729638
Energy: 1.5137149283099949
Energy: 1.5361516676534022
Energy: 1.4581078058016237
Energy: 1.437244050469024
Energy: 1.4579840769471688
Energy: 1.4581078058016237
Energy: 1.4372440504716946
Energy: 1.4579840769471688
Energy: 1.4581078057989534
Energy: 1.437244050469024
Energy: 1.4579840769391579
Energy: 1.4581078058016237
Energy: 1.531274343577871
Energy: 1.4374853187162204
Energy: 1.5219645523638492
Energy: 1.5312743435805416
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Energy: 1.5219645523585084
Energy: 1.531274343577871
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Energy: 1.5219645523638492
Energy: 1.5312743435805416
Energy: 1.512405670874468
Energy: 1.439577142798577
Energy: 1.4885467285331466
Energy: 1.512405670874468
Energy: 1.4395771428012474
Energy: 1.4885467285304763
Energy: 1.5124056708717977
Energy: 1.439577142798577
Energy: 1.4885467285304763
Energy: 1.5124056708771385
Energy: 1.4377544284118962
Energy: 1.5751132122423546
Energy: 1.5241124935771642
Energy: 1.4377544284092258
Energy: 1.5751132122423546
Energy: 1.5241124935798342
Energy: 1.4377544284118962
Energy: 1.5751132122423546
Energy: 1.5241124935771642
Energy: 1.4377544284118962
Energy: 1.4388884365822376
Energy: 1.5541552118366706
Energy: 1.5460399794371018
Energy: 1.4388884365822376
Energy: 1.5541552118340005
Energy: 1.5460399794371018
Energy: 1.4388884365822376
Energy: 1.5541552118340005
Energy: 1.5460399794397721
Energy: 1.4388884365822376
Energy: 1.5945607036467286
Energy: 1.4849085638469801
Energy: 1.4847944959031882
Energy: 1.594560703641388
Energy: 1.4849085638443098
Energy: 1.4847944959031882
Energy: 1.5945607036440583
Energy: 1.4849085638469801
Energy: 1.4847944959031882
Energy: 1.594560703641388
Energy: 1.438915294399911
Energy: 1.5461886032784626
Energy: 1.5541874338585544
Energy: 1.4389152943972405
Energy: 1.5461886032757923
Energy: 1.5541874338585544
Energy: 1.4389152943972405
Energy: 1.5461886032784626
Energy: 1.5541874338585544
Energy: 1.4389152943972405
Energy: 1.4378084400173226
Energy: 1.5241048160896877
Energy: 1.575180692070312
Energy: 1.4378084400173226
Energy: 1.5241048160896877
Energy: 1.575180692070312
Energy: 1.4378084400173226
Energy: 1.5241048160896877
Energy: 1.575180692070312
Energy: 1.4378084400199929
Energy: 1.5124499266947689
Energy: 1.4890291230641524
Energy: 1.4396096006307704
Energy: 1.5124499266947689
Energy: 1.489029123061482
Energy: 1.4396096006307704
Energy: 1.5124499266894282
Energy: 1.4890291230641524
Energy: 1.4396096006307704
Energy: 1.5124499266920988
Energy: 1.5312305641293262
Energy: 1.521859876996888
Energy: 1.4374956687609481
Energy: 1.5312305641319965
Energy: 1.521859876996888
Energy: 1.4374956687582778
Energy: 1.5312305641293262
Energy: 1.5218598769862068
Energy: 1.4374956687609481
Energy: 1.5312305641319965

minimum gb energy = 1.4372163131837046 eV
minimum distance =  2.18482352070585 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 1.466223869227673
Energy: 1.4669231588552583
Energy: 1.4669533949257285
Energy: 1.466223869227673
Energy: 1.4669231588571887
Energy: 1.466953394926211
Energy: 1.4662238692271903
Energy: 1.4669231588552583
Energy: 1.4669533949252458
Energy: 1.466223869227673
Energy: 1.4652412436261977
Energy: 1.4662396529905026
Energy: 1.466922667393895
Energy: 1.4652412436242672
Energy: 1.466239652987124
Energy: 1.466922667396791
Energy: 1.4652412436257152
Energy: 1.4662396529905026
Energy: 1.4669226673943778
Energy: 1.4652412436242672
Energy: 1.465199816111136
Energy: 1.4653880226028244
Energy: 1.576798826675979
Energy: 1.465199816115962
Energy: 1.4653880226062028
Energy: 1.5767988266740482
Energy: 1.4651998161106534
Energy: 1.465388022603307
Energy: 1.5767988266764617
Energy: 1.4651998161154796
Energy: 1.5768261902385063
Energy: 1.465248950207509
Energy: 1.4651725653205847
Energy: 1.5768261902380238
Energy: 1.4652489502084742
Energy: 1.465172565320102
Energy: 1.5768261902380238
Energy: 1.4652489502070265
Energy: 1.4651725653196195
Energy: 1.5768261902375411
Energy: 1.4669263066140164
Energy: 1.466268711782208
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Energy: 1.4669263066130511
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Energy: 1.4669263066135338
Energy: 1.466268711782208
Energy: 1.4652401978700218
Energy: 1.4669263066130511
Energy: 1.4669231588557408
Energy: 1.4669533949257285
Energy: 1.4662238692271903
Energy: 1.4669231588547753
Energy: 1.4669533949252458
Energy: 1.4662238692271903
Energy: 1.4669231588562235
Energy: 1.466953394926211
Energy: 1.466223869227673
Energy: 1.4669231588547753
Energy: 1.466239652987124
Energy: 1.466922667396791
Energy: 1.4652412436261977
Energy: 1.46623965299002
Energy: 1.466922667393895
Energy: 1.4652412436242672
Energy: 1.466239652987124
Energy: 1.466922667396791
Energy: 1.4652412436257152
Energy: 1.4662396529905026
Energy: 1.465388022607168
Energy: 1.5767988266764617
Energy: 1.4651998161106534
Energy: 1.4653880226037896
Energy: 1.5767988266745312
Energy: 1.4651998161164448
Energy: 1.465388022607168
Energy: 1.5767988266750137
Energy: 1.4651998161106534
Energy: 1.4653880226028244
Energy: 1.4652489502084742
Energy: 1.4651725653186545
Energy: 1.5768261902370586
Energy: 1.4652489502070265
Energy: 1.4651725653181715
Energy: 1.5768261902375411
Energy: 1.4652489502079917
Energy: 1.4651725653196195
Energy: 1.5768261902370586
Energy: 1.465248950207509
Energy: 1.4662687117836557
Energy: 1.4652401978705045
Energy: 1.4669263066144993
Energy: 1.466268711782208
Energy: 1.4652401978700218
Energy: 1.4669263066130511
Energy: 1.4662687117836557
Energy: 1.4652401978705045
Energy: 1.4669263066140164
Energy: 1.4662687117826905
Energy: 1.4669533949252458
Energy: 1.4662238692271903
Energy: 1.4669231588538103
Energy: 1.4669533949257285
Energy: 1.4662238692271903
Energy: 1.4669231588523621
Energy: 1.4669533949252458
Energy: 1.4662238692271903
Energy: 1.4669231588533276
Energy: 1.4669533949257285
Energy: 1.466922667393895
Energy: 1.4652412436242672
Energy: 1.466239652987124
Energy: 1.4669226673972735
Energy: 1.4652412436261977
Energy: 1.4662396529905026
Energy: 1.4669226673934124
Energy: 1.4652412436247502
Energy: 1.466239652987124
Energy: 1.466922667396791
Energy: 1.5767988266745312
Energy: 1.465199816115962
Energy: 1.4653880226066853
Energy: 1.5767988266788748
Energy: 1.4651998161106534
Energy: 1.4653880226023417
Energy: 1.5767988266745312
Energy: 1.4651998161154796
Energy: 1.4653880226062028
Energy: 1.5767988266779096
Energy: 1.4651725653205847
Energy: 1.5768261902380238
Energy: 1.4652489502079917
Energy: 1.465172565319137
Energy: 1.5768261902375411
Energy: 1.465248950207509
Energy: 1.4651725653205847
Energy: 1.5768261902394716
Energy: 1.4652489502084742
Energy: 1.4651725653196195
Energy: 1.4652401978700218
Energy: 1.4669263066130511
Energy: 1.466268711783173
Energy: 1.4652401978705045
Energy: 1.4669263066140164
Energy: 1.466268711782208
Energy: 1.4652401978700218
Energy: 1.4669263066135338
Energy: 1.4662687117841384
Energy: 1.4652401978705045
Energy: 1.466223869227673
Energy: 1.4669231588552583
Energy: 1.4669533949252458
Energy: 1.4662238692271903
Energy: 1.4669231588562235
Energy: 1.4669533949257285
Energy: 1.466223869227673
Energy: 1.4669231588552583
Energy: 1.4669533949252458
Energy: 1.4662238692271903
Energy: 1.4652412436257152
Energy: 1.4662396529905026
Energy: 1.4669226673934124
Energy: 1.4652412436242672
Energy: 1.466239652987124
Energy: 1.466922667396791
Energy: 1.4652412436257152
Energy: 1.4662396529905026
Energy: 1.466922667393895
Energy: 1.4652412436242672
Energy: 1.465199816111136
Energy: 1.4653880226028244
Energy: 1.5767988266764617
Energy: 1.4651998161154796
Energy: 1.4653880226066853
Energy: 1.5767988266769444
Energy: 1.4651998161106534
Energy: 1.4653880226028244
Energy: 1.576798826675979
Energy: 1.465199816115962
Energy: 1.5768261902385063
Energy: 1.4652489502070265
Energy: 1.465172565319137
Energy: 1.5768261902394716
Energy: 1.4652489502079917
Energy: 1.465172565320102
Energy: 1.5768261902375411
Energy: 1.4652489502070265
Energy: 1.465172565319137
Energy: 1.5768261902385063
Energy: 1.4669263066135338
Energy: 1.466268711782208
Energy: 1.4652401978705045
Energy: 1.4669263066135338
Energy: 1.4662687117841384
Energy: 1.4652401978705045
Energy: 1.4669263066140164
Energy: 1.466268711782208
Energy: 1.4652401978700218
Energy: 1.4669263066130511
Energy: 1.4669231588552583
Energy: 1.4669533949257285
Energy: 1.466223869227673
Energy: 1.4669231588547753
Energy: 1.4669533949252458
Energy: 1.4662238692271903
Energy: 1.4669231588557408
Energy: 1.4669533949257285
Energy: 1.4662238692271903
Energy: 1.4669231588547753
Energy: 1.466239652987124
Energy: 1.466922667396791
Energy: 1.4652412436257152
Energy: 1.46623965299002
Energy: 1.466922667393895
Energy: 1.4652412436242672
Energy: 1.466239652987124
Energy: 1.466922667396791
Energy: 1.4652412436261977
Energy: 1.4662396529905026

minimum gb energy = 1.4651725653181715 eV
minimum distance =  2.26184124098508 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 1.507222213033316
Energy: 1.5386613421223976
Energy: 1.494025493516498
Energy: 1.5072222130398791
Energy: 1.53866134210052
Energy: 1.4940254935186859
Energy: 1.507222213033316
Energy: 1.538661342109271
Energy: 1.4940254935230615
Energy: 1.507222213042067
Energy: 1.4245692845459192
Energy: 1.417787161448946
Energy: 1.3903222133832325
Energy: 1.4245692845393556
Energy: 1.417787161446758
Energy: 1.390322213387608
Energy: 1.4245692845481068
Energy: 1.417787161448946
Energy: 1.390322213381045
Energy: 1.4245692845393556
Energy: 1.4122555942915032
Energy: 1.5250450336964694
Energy: 1.6507059107651045
Energy: 1.41225559428494
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Energy: 1.394360957571321
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Energy: 1.398300158968039
Energy: 1.394360957580072
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Energy: 1.394360957580072
Energy: 1.3912220073306014
Energy: 1.4185799551150755
Energy: 1.5654986418485666
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Energy: 1.4688279369041777
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Energy: 1.4265035182734789
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Energy: 1.5593537307408478
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Energy: 1.5574944611966937
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Energy: 1.5574944611901305
Energy: 1.4711517851991571
Energy: 1.4606131834617522
Energy: 1.5574944612054447
Energy: 1.4134281039429235
Energy: 1.7154115588553018
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Energy: 1.4134281039342123
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Energy: 1.4134281039342123
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Energy: 1.3740040381443839
Energy: 1.5085244262210344
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Energy: 1.4736235986872488
Energy: 1.3850302253609978
Energy: 1.6761507558704465
Energy: 1.4736235986894364
Energy: 1.3850302253631857
Energy: 1.6761507558682986
Energy: 1.4736235986872488
Energy: 1.3850302253609978
Energy: 1.6761507558704465
Energy: 1.4736235986894364
Energy: 1.5413471171752355
Energy: 1.3901486483804055
Energy: 1.5085574516230558
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Energy: 1.5085574516164926
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Energy: 1.3946114690865197
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Energy: 1.3946114690887075
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Energy: 1.3946241765465452
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Energy: 1.4164852428678218
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Energy: 1.5835941136245795
Energy: 1.4068373277901591
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Energy: 1.414062822862459
Energy: 1.5835941136158287
Energy: 1.4068373277901591
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Energy: 1.3881242156791096
Energy: 1.5117094815519516
Energy: 1.497811812600967
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Energy: 1.497811812600967
Energy: 1.495293843514999
Energy: 1.5133577732531038
Energy: 1.4978118125834647
Energy: 1.3858650295721893
Energy: 1.4334795920039827
Energy: 1.3743015590582144
Energy: 1.3858650295765649
Energy: 1.4334795920039827
Energy: 1.3743015590604022
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Energy: 1.3743015590582144
Energy: 1.3858650295765649
Energy: 1.3897121844754392
Energy: 1.4255269340719723
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Energy: 1.389712184486378
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Energy: 1.3897121844776268
Energy: 1.4255269340719723
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Energy: 1.389712184486378
Energy: 1.4139766285069244
Energy: 1.5375572154351986
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Energy: 1.4139766285178632
Energy: 1.5375572154176966
Energy: 1.502977089560858
Energy: 1.4139766285047364
Energy: 1.5375572154351986
Energy: 1.502977089549919
Energy: 1.4139766285200508
Energy: 1.5576468692719505
Energy: 1.3747192304514297
Energy: 1.5031351942575064
Energy: 1.5576468692544485
Energy: 1.3747192304536175
Energy: 1.5031351942684452
Energy: 1.557646869269763
Energy: 1.3747192304514297
Energy: 1.5031351942575064
Energy: 1.5576468692544485
Energy: 1.4880386431440562
Energy: 1.4105800488732234
Energy: 1.6821584163160368
Energy: 1.48803864327747
Energy: 1.4105800488710356
Energy: 1.6821584163226002
Energy: 1.4880386432665311
Energy: 1.4105800488710356
Energy: 1.6821584163160368
Energy: 1.4880386431528072
Energy: 1.4989410503646436
Energy: 1.3846879315071972
Energy: 1.4405354979511977
Energy: 1.4989410503646436
Energy: 1.3846879315115728
Energy: 1.4405354979621365
Energy: 1.4989410503646436
Energy: 1.3846879315071972
Energy: 1.4405354979490101
Energy: 1.4989410503646436
Energy: 1.4106054405433477
Energy: 1.3903615518797743
Energy: 1.4826528377768686
Energy: 1.410605440554287
Energy: 1.3903615518950885
Energy: 1.4826528376544337
Energy: 1.4106054405345967
Energy: 1.3903615518775865
Energy: 1.4826528377572188
Energy: 1.4106054405586623
Energy: 1.568918204249462
Energy: 1.5070559599483575
Energy: 1.4153405367271854
Energy: 1.5689182042450864
Energy: 1.5070559599483575
Energy: 1.4153405367381242
Energy: 1.5689182042428989
Energy: 1.5070559599505455
Energy: 1.4153405367271854
Energy: 1.56891820423196
Energy: 1.3770555719726087
Energy: 1.4126553616721802
Energy: 1.5804249424674608
Energy: 1.3770555719813597
Energy: 1.4126553616765556
Energy: 1.5804249424827752
Energy: 1.3770555719726087
Energy: 1.412655361674368
Energy: 1.5804249424674608
Energy: 1.3770555719813597
Energy: 1.508823610996287
Energy: 1.5770208958816516
Energy: 1.3909260650290967
Energy: 1.5088236110378146
Energy: 1.5770208958816516
Energy: 1.3909260650334723
Energy: 1.5088236110006625
Energy: 1.5770208958816516
Energy: 1.3909260650290967
Energy: 1.5088236110312512
Energy: 1.5074487074739475
Energy: 1.4089268798931947
Energy: 1.5582718259153008
Energy: 1.5074487074805107
Energy: 1.4089268798800678
Energy: 1.5582718259109252
Energy: 1.5074487074870742
Energy: 1.4089268798953825
Energy: 1.5582718259153008
Energy: 1.5074487074739475
Energy: 1.3756652431915164
Energy: 1.5339284330622638
Energy: 1.4123041770204423
Energy: 1.375665243204643
Energy: 1.5339284410440628
Energy: 1.4123041771691704
Energy: 1.3756652431915164
Energy: 1.5339284394411477
Energy: 1.4123041770313811
Energy: 1.375665243204643
Energy: 1.4709005697300148
Energy: 1.4163539550575819
Energy: 1.4028246176379113
Energy: 1.4709005697431414
Energy: 1.4163539550553943
Energy: 1.402824617613846
Energy: 1.4709005697322026
Energy: 1.4163539550575819
Energy: 1.4028246176400991
Energy: 1.470900569745329
Energy: 1.4145743134153177
Energy: 1.5746215930630971
Energy: 1.3902472683579987
Energy: 1.4145743134153177
Energy: 1.5746215930521583
Energy: 1.3902472683645621
Energy: 1.4145743134153177
Energy: 1.5746215930630971
Energy: 1.3902472683579987
Energy: 1.4145743134153177
Energy: 1.596448670768168
Energy: 1.501257635634704
Energy: 1.385077231009921
Energy: 1.5964486707791068
Energy: 1.5012576356500187
Energy: 1.385077231003358
Energy: 1.596448670768168
Energy: 1.501257635634704
Energy: 1.385077231009921
Energy: 1.596448670776919
Energy: 1.580068340883278
Energy: 1.5856953176152004
Energy: 1.4115125448168875
Energy: 1.5800683408789027
Energy: 1.5856953176152004
Energy: 1.4115125448168875
Energy: 1.580068340883278
Energy: 1.5856953176042616
Energy: 1.4115125448168875
Energy: 1.5800683408767147
Energy: 1.5392712005481486
Energy: 1.4812130416544862
Energy: 1.3763653727882563
Energy: 1.539271200552524
Energy: 1.4812130416544862
Energy: 1.376365372779505
Energy: 1.5392712005547118
Energy: 1.4812130416522986
Energy: 1.3763653727882563
Energy: 1.5392712005503362
Energy: 1.4134982708381976
Energy: 1.4889818337436218
Energy: 1.427428372271305
Energy: 1.413498270844761
Energy: 1.4889818337479974
Energy: 1.4274283722647416
Energy: 1.4134982708360098
Energy: 1.4889818337436218
Energy: 1.427428372271305
Energy: 1.413498270844761
Energy: 1.5826390912671329
Energy: 1.4589232444415159
Energy: 1.4178294021454891
Energy: 1.582639091264945
Energy: 1.4589232443868219
Energy: 1.4178294021498647
Energy: 1.5826390912496704
Energy: 1.4589232442775133
Energy: 1.4178294021454891
Energy: 1.582639091264945
Energy: 1.394463078291965
Energy: 1.3748776157470548
Energy: 1.5020078050820258
Energy: 1.3944630782810261
Energy: 1.3748776157470548
Energy: 1.5020078050776502
Energy: 1.3944630782810261
Energy: 1.3748776157492428
Energy: 1.5020078050798382
Energy: 1.3944630782941525
Energy: 1.4918468174665216
Energy: 1.5787089035898725
Energy: 1.4919794126212031
Energy: 1.4918468174621462
Energy: 1.5787089056607702
Energy: 1.491979412623391
Energy: 1.4918468174665216
Energy: 1.5787089068372702
Energy: 1.4919794126212031
Energy: 1.4918468174599584
Energy: 1.4481238585625102
Energy: 1.3840680472661513
Energy: 1.4161112964343547
Energy: 1.448123858555947
Energy: 1.3840680472617757
Energy: 1.4161112964474811
Energy: 1.448123858564698
Energy: 1.3840680472661513
Energy: 1.4161112964474811
Energy: 1.4481238585537592
Energy: 1.4158963219799305
Energy: 1.4025485904823731
Energy: 1.5832643638445965
Energy: 1.4158963219646166
Energy: 1.4025485904801853
Energy: 1.5832643638358452
Energy: 1.415896321977743
Energy: 1.4025485904823731
Energy: 1.5832643638445965
Energy: 1.4158963219668041
Energy: 1.4015803988536137
Energy: 1.4554351177243903
Energy: 1.4124495850795367
Energy: 1.401580398851426
Energy: 1.4554351177331415
Energy: 1.4124495850751613
Energy: 1.401580398851426
Energy: 1.4554351177243903
Energy: 1.4124495850817245
Energy: 1.4015803988536137
Energy: 1.3767246007463299
Energy: 1.4630047075890236
Energy: 1.52358900974955
Energy: 1.3767246007507052
Energy: 1.463004707573749
Energy: 1.5235890097539255
Energy: 1.3767246007463299
Energy: 1.4630047075912112
Energy: 1.523589009747362
Energy: 1.3767246007507052
Energy: 1.4102634223413528
Energy: 1.5753704667922337
Energy: 1.5984607707582112
Energy: 1.4102634223413528
Energy: 1.5753704667966093
Energy: 1.598460770784464
Energy: 1.4102634223391652
Energy: 1.5753704667900459
Energy: 1.5984607707582112
Energy: 1.4102634223435404

minimum gb energy = 1.3740040381443839 eV
minimum distance =  2.16842726840538 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 1.329264463403495
Energy: 1.537534712362094
Energy: 1.537349281954535
Energy: 1.3292644634050887
Energy: 1.5375347123549206
Energy: 1.5373492819553318
Energy: 1.3292644634042918
Energy: 1.5375347123604999
Energy: 1.5373492819553318
Energy: 1.3292644634050887
Energy: 1.524217464486791
Energy: 1.2918378665963293
Energy: 1.3073615348256944
Energy: 1.5242174644804147
Energy: 1.291837866594735
Energy: 1.3073615348193182
Energy: 1.524217464485994
Energy: 1.2918378665955321
Energy: 1.3073615348241003
Energy: 1.5242174644828057
Energy: 1.466654164133063
Energy: 1.2737603621524514
Energy: 1.286055046836993
Energy: 1.466654164132266
Energy: 1.2737603621460751
Energy: 1.286055046840181
Energy: 1.4666541641314688
Energy: 1.2737603621516544
Energy: 1.286055046838587
Energy: 1.466654164134657
Energy: 1.4647733222383446
Energy: 1.4679049597090534
Energy: 1.3758563445947756
Energy: 1.4647733222319683
Energy: 1.4679049597034741
Energy: 1.375856344589993
Energy: 1.4647733222375476
Energy: 1.467904959704271
Energy: 1.3758563445955725
Energy: 1.4647733222319683
Energy: 1.3797411515131657
Energy: 1.3154063256088298
Energy: 1.527297815262574
Energy: 1.3797411515131657
Energy: 1.315406325610424
Energy: 1.5272978152681536
Energy: 1.3797411515123688
Energy: 1.3154063256096271
Energy: 1.5272978152657624
Energy: 1.3797411515131657
Energy: 1.3789139196302522
Energy: 1.404822488057043
Energy: 1.2919318665810258
Energy: 1.3789139196326434
Energy: 1.4048224880992861
Energy: 1.2919318665810258
Energy: 1.3789139196294553
Energy: 1.4048224880697955
Energy: 1.2919318665818227
Energy: 1.3789139196318465
Energy: 1.3988632741163627
Energy: 1.3361633306630567
Energy: 1.273819830671346
Energy: 1.398863275169616
Energy: 1.3361633306758092
Energy: 1.273819830674534
Energy: 1.3988632748971728
Energy: 1.3361633306638536
Energy: 1.273819830670549
Energy: 1.3988632736511082
Energy: 1.351229589798219
Energy: 1.56741202093262
Energy: 1.439234555982918
Energy: 1.3512295897934365
Energy: 1.567412020935011
Energy: 1.4392345559948738
Energy: 1.3512295897966249
Energy: 1.5674120209334172
Energy: 1.4392345559948738
Energy: 1.3512295897934365
Energy: 1.6399380501696632
Energy: 1.3168598697829246
Energy: 1.3157305998256197
Energy: 1.6399380501688663
Energy: 1.3168598697908949
Energy: 1.315730599828808
Energy: 1.6399380501688663
Energy: 1.3168598697829246
Energy: 1.3157305998256197
Energy: 1.6399380501688663
Energy: 1.4448991140195233
Energy: 1.470663069398472
Energy: 1.49161583024184
Energy: 1.4448991140219147
Energy: 1.4706630694016603
Energy: 1.4916159378782259
Energy: 1.4448991140314789
Energy: 1.470663069400066
Energy: 1.4916159261685362
Energy: 1.4448991140171323
Energy: 1.4205139110218923
Energy: 1.291695770936895
Energy: 1.3516555492198186
Energy: 1.4205139110195013
Energy: 1.291695770934504
Energy: 1.3516555492166302
Energy: 1.4205139110234863
Energy: 1.291695770936895
Energy: 1.3516555492206153
Energy: 1.4205139110195013
Energy: 1.376029969127606
Energy: 1.2912387078253131
Energy: 1.3179832675705268
Energy: 1.3760299691371705
Energy: 1.2912387078364715
Energy: 1.3179832675689327
Energy: 1.3760299691451408
Energy: 1.2912387078261098
Energy: 1.3179832675713241
Energy: 1.376029969127606
Energy: 1.3156255704270445
Energy: 1.7452648760519955
Energy: 1.315616930495859
Energy: 1.3156255704278415
Energy: 1.7452648760519955
Energy: 1.315616930499047
Energy: 1.3156255704270445
Energy: 1.7452648760519955
Energy: 1.315616930495859
Energy: 1.3156255704278415
Energy: 1.3155578511890538
Energy: 1.2949237271263845
Energy: 1.311626541990348
Energy: 1.3155578511938362
Energy: 1.2949237271303697
Energy: 1.3116265415800168
Energy: 1.315557851190648
Energy: 1.2949237271271814
Energy: 1.3116265417481199
Energy: 1.3155578511946333

minimum gb energy = 1.2737603621460751 eV
minimum distance =  2.1816265008861 Angstroms
sigma value = 33