Model name: model_name=EAM_Dynamo_MendelevHanSrolovitz_2003Potential2_Fe__MO_769582363439_005
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.855324655771256
cohesive_energy=4.122759316663293
mass=55.845
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: 0.014457440397929323
Energy: 0.015078794154007558
Energy: 0.014734934247427039
Energy: 1.4282938376951662
Energy: 0.014734934246953107
Energy: 0.015078794154929093
Energy: 0.014457440397929323
Energy: 0.015078794154455158
Energy: 0.014734934246505502
Energy: 1.4282938376953767
Energy: 0.6736936768362949
Energy: 0.015531274791335484
Energy: 0.01681792690851014
Energy: 0.6633611226056547
Energy: 0.016817926908747106
Energy: 0.01553127479180942
Energy: 0.6736936768362949
Energy: 0.01553127479112485
Energy: 0.016817926908273176
Energy: 0.6633611226063657
Energy: 0.014457440398166288
Energy: 0.015078794154929093
Energy: 0.014734934247427039
Energy: 1.428293837694692
Energy: 0.014734934246505502
Energy: 0.015078794154929093
Energy: 0.014457440397718685
Energy: 0.015078794154455158
Energy: 0.014734934246505502
Energy: 1.428293837694929
Energy: 0.6736936768365319
Energy: 0.015531274790887882
Energy: 0.01681792690851014
Energy: 0.6633611226061287
Energy: 0.01681792690851014
Energy: 0.015531274790887882
Energy: 0.6736936768360581
Energy: 0.015531274791335484
Energy: 0.016817926908273176
Energy: 0.6633611226052072
Energy: 0.014457440398166288
Energy: 0.015078794154692127
Energy: 0.014734934247664004
Energy: 1.428293837692612
Energy: 0.01473493424671614
Energy: 0.015078794154929093
Energy: 0.014457440397718685
Energy: 0.015078794154218193
Energy: 0.014734934245794603
Energy: 1.4282938376940075
Energy: 0.6736936768362949
Energy: 0.015531274790413949
Energy: 0.016817926908273176
Energy: 0.6633611226056547
Energy: 0.016817926908273176
Energy: 0.015531274791335484
Energy: 0.6736936768365319
Energy: 0.01553127479112485
Energy: 0.01681792690851014
Energy: 0.6633611226054178
Energy: 0.014457440397929323
Energy: 0.015078794154455158
Energy: 0.014734934247190072
Energy: 1.428293837696535
Energy: 0.01473493424671614
Energy: 0.015078794154929093
Energy: 0.014457440397718685
Energy: 0.015078794154929093
Energy: 0.014734934245794603
Energy: 1.4282938376951662

minimum gb energy = 0.014457440397718685 eV
minimum distance =  2.283656772133 Angstroms
sigma value = 3


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

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Energy: 1.4111438135198955
Energy: 1.4492891403536106
Energy: 1.3981340795797415
Energy: 1.4372917251139006
Energy: 1.3453600459744783
Energy: 1.495710285296791
Energy: 1.4111438135278411
Energy: 1.4492891403513406
Energy: 1.3916408341228506
Energy: 1.3956036537746113
Energy: 1.2890687250560668
Energy: 1.4336096281729738
Energy: 1.5442576248140065
Energy: 1.345176248546496
Energy: 1.305183479854206
Energy: 1.3956036537791514
Energy: 1.2890687250577695
Energy: 1.433609628174109
Energy: 1.5442576248117366
Energy: 1.3662471671639451
Energy: 1.3052395184284342
Energy: 1.3050197080407184
Energy: 1.311890789858288
Energy: 1.4121290867563572
Energy: 1.3669494660471424
Energy: 1.3662471671611074
Energy: 1.3052395184301369
Energy: 1.3050197080418533
Energy: 1.3118907898577206
Energy: 1.3611714261188408
Energy: 1.2887856174553933
Energy: 1.2761848009811005
Energy: 1.3166029743080165
Energy: 1.2731414978462383
Energy: 1.318667032178891
Energy: 1.3611714261194081
Energy: 1.2887856174576637
Energy: 1.2761848009822356
Energy: 1.3166029743080165
Energy: 1.2917297210989573
Energy: 1.2886296248029452
Energy: 1.2750884217841638
Energy: 1.2809745462421254
Energy: 1.2898564699521018
Energy: 1.361653056870351
Energy: 1.2917297211091736
Energy: 1.2886296248040803
Energy: 1.2750884217734315
Energy: 1.28097454623645
Energy: 1.4326583928598593
Energy: 1.3231835897579824
Energy: 1.2883481240825894
Energy: 1.2522864408674617
Energy: 1.3141298362271159
Energy: 1.3102107255805382
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Energy: 1.323183589751172
Energy: 1.288348124078049
Energy: 1.2522864408657588
Energy: 1.3099097921105467
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Energy: 1.3465372328867533
Energy: 1.329327085093778
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Energy: 1.3293270850926429
Energy: 1.4533902579525444
Energy: 1.4499729130889203
Energy: 1.312492716070553
Energy: 1.3117178318050322
Energy: 1.3203484819200997
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Energy: 1.4499729130889203
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Energy: 1.334911472465237
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Energy: 1.432377992721501
Energy: 1.3234515154756465
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Energy: 1.3505780323010057
Energy: 1.4323779927237712
Energy: 1.3508634558999708
Energy: 1.4083768442592142
Energy: 1.3977206836363842
Energy: 1.4757424894445124
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Energy: 1.4640189032160096
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Energy: 1.3977206836409244
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Energy: 1.322739715604938
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Energy: 1.2995108015795758
Energy: 1.2910895049670918
Energy: 1.3340189189207239
Energy: 1.2989799424838784
Energy: 1.2520023252989658
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Energy: 1.3136706803850227
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Energy: 1.2989799424827433
Energy: 1.2520023252944255
Energy: 1.3141227471364192
Energy: 1.311130690308412
Energy: 1.3432957126850236
Energy: 1.3464889164124492
Energy: 1.3982361972235564
Energy: 1.3383991116468221
Energy: 1.3143279276219983
Energy: 1.3111306903112496
Energy: 1.3432957126878613
Energy: 1.346488916413017
Energy: 1.3982361972201514
Energy: 1.5040329797747722
Energy: 1.2869930016878923
Energy: 1.4092416319599175
Energy: 1.3602790261934055
Energy: 1.464578952749136
Energy: 1.447270786098878
Energy: 1.5040329797685292
Energy: 1.2869930016941356
Energy: 1.4092416319638903
Energy: 1.3230707821959669
Energy: 1.4573242065434886
Energy: 1.3816900689471128
Energy: 1.4290930019009755
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Energy: 1.415576096559528
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Energy: 1.3816900689488154
Energy: 1.4290930019026782
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Energy: 1.3116495042338
Energy: 1.3267064381643785
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Energy: 1.3128578988151185
Energy: 1.311649504229827
Energy: 1.326706438160973
Energy: 1.4374241768298839
Energy: 1.262262782101989
Energy: 1.3115716680322491
Energy: 1.4120761653941405
Energy: 1.2841475710458596
Energy: 1.2842139125874572
Energy: 1.3533509522847988
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Energy: 1.3115716680294116
Energy: 1.4120761653890321
Energy: 1.2841475710492647
Energy: 1.2842139125812142
Energy: 1.258927524528092
Energy: 1.2883527300753637
Energy: 1.3811052564139519
Energy: 1.4388549834836606
Energy: 1.3082262967258607
Energy: 1.293598691739615
Energy: 1.2589275245326323
Energy: 1.2883527300730935
Energy: 1.3811052564167896
Energy: 1.4393485047026953
Energy: 1.2815377836580226
Energy: 1.27486183606916
Energy: 1.2876095404844974
Energy: 1.2917597016291078
Energy: 1.365039085988687
Energy: 1.3739562852879899
Energy: 1.2815377836602924
Energy: 1.2748618360668897
Energy: 1.2876095404867676
Energy: 1.291759701627405
Energy: 1.303186458065176
Energy: 1.2853310013336257
Energy: 1.27147319842651
Energy: 1.4684960581042759
Energy: 1.3089299926952283
Energy: 1.2741373793106818
Energy: 1.3031864580640409
Energy: 1.2853310013353285
Energy: 1.271473198421402
Energy: 1.4684960580997357
Energy: 1.3084884862964097
Energy: 1.3039840339481814
Energy: 1.3315805456642789
Energy: 1.3658315480103993
Energy: 1.4017679600254027
Energy: 1.4337109523012892
Energy: 1.3084884862969774
Energy: 1.3039840339521545
Energy: 1.2938876557066978
Energy: 1.3658315480177259
Energy: 1.3859872248623157
Energy: 1.4284437391116172
Energy: 1.3278957857918805
Energy: 1.4398214376769443
Energy: 1.2994866116860444
Energy: 1.331785454251984
Energy: 1.3859872248662888
Energy: 1.4284437391150226
Energy: 1.3278957857856373
Energy: 1.4398214376797822
Energy: 1.3910792229533482
Energy: 1.4386507866030314
Energy: 1.3477748939204979
Energy: 1.466082659038645
Energy: 1.4111438134915182
Energy: 1.4492891403547457
Energy: 1.3910792229539157
Energy: 1.4386507866064364
Energy: 1.3477748939170928
Energy: 1.4660826590346723
Energy: 1.5442576248088986
Energy: 1.3451762485368477
Energy: 1.3051834798479627
Energy: 1.3956036537740437
Energy: 1.2890687250594721
Energy: 1.4336096281803519
Energy: 1.544257624807196
Energy: 1.3451762485470633
Energy: 1.3051834798530706
Energy: 1.3956036537740437
Energy: 1.3084884862924369
Energy: 1.4121290867574923
Energy: 1.366949466051115
Energy: 1.366247167166164
Energy: 1.3052395184272991
Energy: 1.3050197080344754
Energy: 1.308488486293572
Energy: 1.4121290867574923
Energy: 1.36694946605225
Energy: 1.3662471671645129
Energy: 1.3166029743119894
Energy: 1.2731414978485087
Energy: 1.3186394472595613
Energy: 1.361171426118273
Energy: 1.2887856174639065
Energy: 1.2761848009811005
Energy: 1.3166029743080165
Energy: 1.2731414978473738
Energy: 1.3186394472663718
Energy: 1.361171426117138

minimum gb energy = 1.2520023252944255 eV
minimum distance =  2.21942581546494 Angstroms
sigma value = 75


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

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Energy: 1.450291883099482
Energy: 1.4282805606479854
Energy: 1.3514408900453199
Energy: 1.4340246764855353
Energy: 1.5497554654539016
Energy: 1.6158005231301675
Energy: 1.4502918831030822
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Energy: 1.4413917550791029
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Energy: 1.5444025650943138
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Energy: 1.4292976725392905
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Energy: 1.417773510176094
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Energy: 1.3643795355674886
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Energy: 1.384506141035874
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minimum gb energy = 1.3239099544100816 eV
minimum distance =  2.20823620562026 Angstroms
sigma value = 105


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

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Energy: 1.3710083916853737
Energy: 1.3503674062407356
Energy: 1.3823355496955982
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Energy: 1.343599996259751
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Energy: 1.478943213929088
Energy: 1.3653736004275583
Energy: 1.3417265093234303
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Energy: 1.4039245360833568
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Energy: 1.371456653456032
Energy: 1.4447306444958972
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Energy: 1.371456653458844
Energy: 1.444730644497147
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Energy: 1.3985896923843895
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Energy: 1.5402487274461232
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Energy: 1.3227688544938312
Energy: 1.3278527249977097
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Energy: 1.3457395184614922
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Energy: 1.467851955402698
Energy: 1.2913522988267367
Energy: 1.379991444549353
Energy: 1.3457395184614922
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Energy: 1.3712835795296794
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Energy: 1.341479902692899
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Energy: 1.4248524838173544
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Energy: 1.3414799026872752
Energy: 1.3878386413556307
Energy: 1.3222629154070176
Energy: 1.3220637501315682
Energy: 1.3858674193028007
Energy: 1.345203968574896
Energy: 1.315065505061452
Energy: 1.4965423252163401
Energy: 1.3222629154101415
Energy: 1.3220637501328176
Energy: 1.3858674193024882
Energy: 1.394406863316068
Energy: 1.3223539831420896
Energy: 1.3227387226291158
Energy: 1.4992007317743739
Energy: 1.3145567729785488
Energy: 1.4246913459060595
Energy: 1.487523285932134
Energy: 1.3223539831442765
Energy: 1.322738722631303
Energy: 1.4992007317778102
Energy: 1.3145567729791736
Energy: 1.639391808367817
Energy: 1.3761383513034857
Energy: 1.3683556941656632
Energy: 1.3521369760037185
Energy: 1.3860489079364722
Energy: 1.3423192304157487
Energy: 1.6393918083665673
Energy: 1.376138351308797
Energy: 1.3683556941600394
Energy: 1.352136975999032
Energy: 1.4224124658576478
Energy: 1.3761318246360177
Energy: 1.5152601112744966
Energy: 1.3759925958172068
Energy: 1.4230308020611613
Energy: 1.433521749354055
Energy: 1.4224124658567108
Energy: 1.3761318246378924
Energy: 1.5152601112707476
Energy: 1.375992595816269
Energy: 1.4165307506908666
Energy: 1.3430681360516767
Energy: 1.377711789642816
Energy: 1.324988261159116
Energy: 1.425231399024343
Energy: 1.374091971793473
Energy: 1.4165307506855553
Energy: 1.3430681360507395
Energy: 1.377711789645003
Energy: 1.3249882611597408
Energy: 1.3289453182333215
Energy: 1.3411543716801
Energy: 1.386640550127002
Energy: 1.314628568147246
Energy: 1.514101327051883
Energy: 1.3108900969128772
Energy: 1.3289453182311344
Energy: 1.341154371683849
Energy: 1.3866405501279393
Energy: 1.314628568146621
Energy: 1.3225084977189672
Energy: 1.4031932891897898
Energy: 1.3534246932459333
Energy: 1.3800135775125666
Energy: 1.397299144631131
Energy: 1.3228287818660631
Energy: 1.3225084977158428
Energy: 1.4031932891901022
Energy: 1.3534246932437464
Energy: 1.3800135775147533
Energy: 1.5197963428594896
Energy: 1.3899629362273551
Energy: 1.3498409681336612
Energy: 1.3825938953195107
Energy: 1.3652638532155394
Energy: 1.5391674933856136
Energy: 1.519796342856053
Energy: 1.389962936224231
Energy: 1.3498409681308494
Energy: 1.3825938953201358

minimum gb energy = 1.2913522988267367 eV
minimum distance =  2.23104041490081 Angstroms
sigma value = 165


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

Energy: 1.3635703453642904
Energy: 1.6005844173037367
Energy: 1.3205765436670487
Energy: 1.4021355496635124
Energy: 1.3204413792942387
Energy: 1.600565599790295
Energy: 1.3635703453642904
Energy: 1.6005844173037367
Energy: 1.3205765436649035
Energy: 1.3966622702340654
Energy: 1.3172665449996752
Energy: 1.3246938560331984
Energy: 1.3245397184557581
Energy: 1.3695681508256634
Energy: 1.2385697269460534
Energy: 1.2588112719648188
Energy: 1.3172665449996752
Energy: 1.324693856028908
Energy: 1.3245397184557581
Energy: 1.3695681508277595
Energy: 1.2619898067146695
Energy: 1.4532046689495417
Energy: 1.3532020958183975
Energy: 1.2596494112562377
Energy: 1.3369893833430488
Energy: 1.3869566831573577
Energy: 1.2619898067157422
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Energy: 1.3532020958194702
Energy: 1.2596494112551653
Energy: 1.2963344370571883
Energy: 1.3365295765214982
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Energy: 1.2576610148995955
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Energy: 1.290452381524029
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Energy: 1.2590373004003648
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Energy: 1.3671210191564158
Energy: 1.3267147360128062
Energy: 1.3188625798717284
Energy: 1.309177271867854
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Energy: 1.3515177429868495
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Energy: 1.346722341836172
Energy: 1.2579136996163034
Energy: 1.2823978858759921
Energy: 1.2614193619495562
Energy: 1.2423956625886294
Energy: 1.359445836058016
Energy: 1.3194241378253828
Energy: 1.3202229836413446
Energy: 1.2823978858781373
Energy: 1.2614193619495562
Energy: 1.2423956625886294
Energy: 1.3594458360601611
Energy: 1.3602977600684873
Energy: 1.3090440527441276
Energy: 1.3185122153533617
Energy: 1.3263411097524163
Energy: 1.3392361780564384
Energy: 1.5992204442388078
Energy: 1.3602977600684873
Energy: 1.309044052752708
Energy: 1.3185122153533617
Energy: 1.326341109750271
Energy: 1.358090394142769
Energy: 1.28974757440057
Energy: 1.3437811393427674
Energy: 1.4528964625591296
Energy: 1.3352227827175538
Energy: 1.2602630860052746
Energy: 1.3580903941449143
Energy: 1.2897475747490073
Energy: 1.3437811393427674
Energy: 1.452896462558057
Energy: 1.2576453740361202
Energy: 1.3945052679408836
Energy: 1.3366640216461094
Energy: 1.296722936465895
Energy: 1.2385647851869168
Energy: 1.2581563963632114
Energy: 1.2576453740361202
Energy: 1.394505267941956
Energy: 1.3366640216482057
Energy: 1.2967229364648223
Energy: 1.2592013926202386
Energy: 1.3532020958141073
Energy: 1.4532746714161011
Energy: 1.2619964768457557
Energy: 1.3869566831562852
Energy: 1.333840317652017
Energy: 1.2592013926245287
Energy: 1.3532020958162525
Energy: 1.4532746714150284
Energy: 1.2619964768457557
Energy: 1.3686587401982382
Energy: 1.3245247564805998
Energy: 1.3245069345839786
Energy: 1.3173686580056316
Energy: 1.2587429663453844
Energy: 1.2385091215826156
Energy: 1.3686587401982382
Energy: 1.324524756479527
Energy: 1.3245069367153113
Energy: 1.317368658004559
Energy: 1.4425735025086424
Energy: 1.3204413792920935
Energy: 1.6005655997870774
Energy: 1.363570345363218
Energy: 1.6005844172994463
Energy: 1.3205765436659762
Energy: 1.4425735025022557
Energy: 1.3204413792899485
Energy: 1.6005655997892223
Energy: 1.363570345370726

minimum gb energy = 1.2385091215826156 eV
minimum distance =  2.21367175025079 Angstroms
sigma value = 41


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

Energy: 1.4691045506763682
Energy: 1.2437983031387456
Energy: 1.1950849112828636
Energy: 1.37023639464957
Energy: 1.1950757725075356
Energy: 1.276669019746816
Energy: 1.4691045506551448
Energy: 1.2437983029158044
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Energy: 1.192711770916971
Energy: 1.3653523644722556
Energy: 1.2442063170040265
Energy: 1.249590985938961
Energy: 1.340766522584828
Energy: 1.1967663651962381
Energy: 1.189705652915796
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Energy: 1.2495909859406253
Energy: 1.3407665225831635
Energy: 1.210283039527482
Energy: 1.209308583035857
Energy: 1.3199024968095114
Energy: 1.202903493795588
Energy: 1.196395090774014
Energy: 1.318500299153501
Energy: 1.2102830395249848
Energy: 1.2093085830346084
Energy: 1.3199024968086792
Energy: 1.2029034937976688
Energy: 1.3207284347449004
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Energy: 1.1911236405595225
Energy: 1.199276222495439
Energy: 1.3907412085320556
Energy: 1.195320023938992
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Energy: 1.2224468685391785
Energy: 1.191123640566597
Energy: 1.1992762224933584
Energy: 1.3899369591736064
Energy: 1.2670748755202936
Energy: 1.241787134464636
Energy: 1.2018420235433376
Energy: 1.3120801587706046
Energy: 1.1952164336439175
Energy: 1.3899369591769355
Energy: 1.2670748755240389
Energy: 1.241787134450903
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Energy: 1.2437015054841867
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Energy: 1.244553223073673
Energy: 1.2503086628007338
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Energy: 1.2445532230262704
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Energy: 1.2239962028700895
Energy: 1.240642309600494
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Energy: 1.2932082251466728
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Energy: 1.260061050407344
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Energy: 1.1920803214795852
Energy: 1.277702985435076
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Energy: 1.209577128992958
Energy: 1.2493304099825016
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Energy: 1.3307785450886456
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Energy: 1.2099227215245667
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Energy: 1.1969781632939225
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Energy: 1.1941702207904938
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Energy: 1.296136947671067
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Energy: 1.2075500087905386
Energy: 1.317439040279606
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Energy: 1.2552237291540624
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Energy: 1.3460453549530798
Energy: 1.4208138617238413
Energy: 1.19537199979314
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Energy: 1.195371999787314
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Energy: 1.1591054392524613
Energy: 1.295060072428924
Energy: 1.1952557240416757
Energy: 1.3411815092669328
Energy: 1.2009794617252496
Energy: 1.1893563014887332
Energy: 1.1591054392549582
Energy: 1.2950600724276757
Energy: 1.1952557240425081
Energy: 1.3411815092665167
Energy: 1.2076690099110123
Energy: 1.2086292998098107
Energy: 1.3074705747598616
Energy: 1.196842717448889
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Energy: 1.3184587935152972
Energy: 1.2076690099126768
Energy: 1.20862929981314
Energy: 1.3074705747561164
Energy: 1.1968427174434788
Energy: 1.31406113464903
Energy: 1.2539028931072682
Energy: 1.243828265242382
Energy: 1.17947863726112
Energy: 1.3376792338311407
Energy: 1.2494682136683175
Energy: 1.3140611346407072
Energy: 1.2539028931064358
Energy: 1.2438282652373882
Energy: 1.179478637264033
Energy: 1.358401716037778
Energy: 1.2627337627595696
Energy: 1.4224403586833179
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Energy: 1.2627337627566564
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Energy: 1.1951325016719565
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Energy: 1.3402755531171255
Energy: 1.1984471306054063
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Energy: 1.2488032713558863
Energy: 1.3084884099967098
Energy: 1.2091577657627923
Energy: 1.2092624717628861
Energy: 1.361016351787734
Energy: 1.2025976867903825
Energy: 1.2023927863236061
Energy: 1.3084884100004552
Energy: 1.2091577657665378
Energy: 1.2092624717666314
Energy: 1.3610163517893987
Energy: 1.2477892077662383
Energy: 1.208664869065629
Energy: 1.254957678305732
Energy: 1.1918492990356357
Energy: 1.1984549105029094
Energy: 1.3837154505739635
Energy: 1.247789207768735
Energy: 1.2086648691662987
Energy: 1.254957678305732
Energy: 1.1918492990373002
Energy: 1.1951020324902977
Energy: 1.3959259059929436
Energy: 1.264894151907085
Energy: 1.2408536605532114
Energy: 1.1951539744410793
Energy: 1.3566709890864408
Energy: 1.1951020324832236
Energy: 1.395925905994608
Energy: 1.2648941519075014
Energy: 1.2408536605598697
Energy: 1.1950333029590614
Energy: 1.2435145743543123
Energy: 1.2539981334798032
Energy: 1.244707746155539
Energy: 1.24900710319242
Energy: 1.3376781923402976
Energy: 1.1950333029578133
Energy: 1.2435145743489024
Energy: 1.2539981334798032
Energy: 1.244707746150129
Energy: 1.1961565515083217
Energy: 1.3538467399992506
Energy: 1.2233513437768904
Energy: 1.2080281048907824
Energy: 1.3356905944632977
Energy: 1.2032214605723883
Energy: 1.1961565515124835
Energy: 1.3538467399950893
Energy: 1.2233513437744312
Energy: 1.208028104892447
Energy: 1.3872535687902021
Energy: 1.195101931105511
Energy: 1.2083297482985969
Energy: 1.1868789510493327
Energy: 1.1917831792860392
Energy: 1.2009836149111137
Energy: 1.3872535687939476
Energy: 1.1951019311050946
Energy: 1.2083297483006774
Energy: 1.1868789510543265
Energy: 1.326370637947567
Energy: 1.2467129307388467
Energy: 1.3851715543294332
Energy: 1.3115319261038618
Energy: 1.2466950201699794
Energy: 1.3486865255660416
Energy: 1.326370637947151
Energy: 1.2467129307396791
Energy: 1.385171554334843
Energy: 1.3115319260922096
Energy: 1.2106141078183343
Energy: 1.1794550386616895
Energy: 1.3415379565584447
Energy: 1.294835144925017
Energy: 1.243994930547746
Energy: 1.2512975582405932
Energy: 1.2106141078133406
Energy: 1.1794550386658509
Energy: 1.3415379565592769
Energy: 1.2948351449287625

minimum gb energy = 1.1591054392524613 eV
minimum distance =  2.27122381299609 Angstroms
sigma value = 185


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

Energy: 1.3745330392365493
Energy: 1.1371198806963672
Energy: 1.3935923732916562
Energy: 1.5752974525001031
Energy: 1.3937025188921277
Energy: 1.1842680727255825
Energy: 1.3745330392360555
Energy: 1.1371198806948852
Energy: 1.3935923732901743
Energy: 1.3120819893036395
Energy: 1.4199944638857545
Energy: 1.1385914654644522
Energy: 1.114404548356279
Energy: 1.1361854728280933
Energy: 1.1358922798234976
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Energy: 1.709437885327739
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Energy: 1.3929916508181608
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Energy: 1.1150532088343386
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Energy: 1.687187452907357
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Energy: 1.1378377946832028
Energy: 1.4214851628623715
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Energy: 1.3038958811920875
Energy: 1.2692558760538721
Energy: 1.1364679285604975
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Energy: 1.1145025468403749
Energy: 1.6874162055535242
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Energy: 1.427581147892447
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Energy: 1.115042087035109
Energy: 1.1360551361466233
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Energy: 1.1360551361466233
Energy: 1.1374510027106655
Energy: 1.4706026906939949
Energy: 1.3926214579542653
Energy: 1.4537388990991904
Energy: 1.135903195982779
Energy: 1.7091654895677315
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Energy: 1.1373278214819016
Energy: 1.3926214579537715
Energy: 1.4537388990991904
Energy: 1.135903195982779
Energy: 1.7091654895682256
Energy: 1.1361836951411948
Energy: 1.1143797172735546
Energy: 1.1383193372357643
Energy: 1.4197350086034617
Energy: 1.2355357081032445
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Energy: 1.1143797172775063
Energy: 1.138319337234282
Energy: 1.4197350086054377
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Energy: 1.3937025188960797
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Energy: 1.3745330392350674
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Energy: 1.3935923732886921
Energy: 1.536566158770131
Energy: 1.3937025188945977
Energy: 1.137261768415773
Energy: 1.3745330392350674
Energy: 1.1361854728266114
Energy: 1.1358922798254736
Energy: 1.2355357081007745
Energy: 1.4199944638837787
Energy: 1.1385914654619822
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Energy: 1.4199944638788384
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Energy: 1.136478257525742
Energy: 1.709437885323293
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Energy: 1.4537388990942504
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Energy: 1.1373755030822508
Energy: 1.1364782575272239
Energy: 1.709437885324281
Energy: 1.1150532088358205
Energy: 1.1151039995425382
Energy: 1.1149220333437309
Energy: 1.4725544915643218
Energy: 1.1371489152531522
Energy: 1.1363319389882864
Energy: 1.1150532088368086
Energy: 1.1151039995425382
Energy: 1.1149220333525778
Energy: 1.4725544915623459
Energy: 1.421485162852537
Energy: 1.4250324410370285
Energy: 1.370655294340085
Energy: 1.687187452904393
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Energy: 1.1378377946846847
Energy: 1.4214851628564438
Energy: 1.4250324410365347
Energy: 1.370655294341073
Energy: 1.687187452906863
Energy: 1.1364679285590156
Energy: 1.1360003607340834
Energy: 1.2811616544021498
Energy: 1.1651541286063676
Energy: 1.3038958811955457
Energy: 1.2351768357139825
Energy: 1.1364679285590156
Energy: 1.1360003607321074
Energy: 1.2811616544085715
Energy: 1.1773974036831176
Energy: 1.3156016280768104
Energy: 1.2803742157184572
Energy: 1.136123378554303
Energy: 1.1364599562317246
Energy: 1.1766287970467169
Energy: 1.3047036184297294
Energy: 1.3156016280753284
Energy: 1.2803742157154934
Energy: 1.136123378552821
Energy: 1.1364599562302427
Energy: 1.6874162055555004
Energy: 1.3708753959396276
Energy: 1.4275811478939289
Energy: 1.4219086974244042
Energy: 1.137882592437849
Energy: 1.1145025468364231
Energy: 1.6874162055525364
Energy: 1.3708753959391338
Energy: 1.4275811478973868
Energy: 1.421908697424898
Energy: 1.470602690694983
Energy: 1.1141028619503004
Energy: 1.1152195401650884
Energy: 1.1150420870311573
Energy: 1.1360551361466233
Energy: 1.1374510027077014
Energy: 1.470602690692513
Energy: 1.1141028619507944
Energy: 1.1152195401626184
Energy: 1.1150420870326392
Energy: 1.7091654895687196
Energy: 1.1361317388151673
Energy: 1.1373278214828895
Energy: 1.3926214579532772
Energy: 1.4537388990986961
Energy: 1.1359031959808032
Energy: 1.7091654895682256
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Energy: 1.1373278214789377
Energy: 1.3926214579532772
Energy: 1.4197350085965459
Energy: 1.2355357081017626
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Energy: 1.1143797172745424
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Energy: 1.4197350085990157
Energy: 1.2355357081007745
Energy: 1.1359186955605312
Energy: 1.1361836951407007
Energy: 1.3745330392355615
Energy: 1.1371198806968612
Energy: 1.3935923732901743
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Energy: 1.3937025188921277
Energy: 1.1372617684088573
Energy: 1.3745330392365493
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Energy: 1.393592373290668
Energy: 1.3134138533547863
Energy: 1.4199944638862483
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Energy: 1.4199944638857545
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Energy: 1.1144045483557847
Energy: 1.1361854728275993
Energy: 1.7094378853262568
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Energy: 1.4537388990932623
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Energy: 1.1371489152526584
Energy: 1.1363319389877926
Energy: 1.1150532088343386
Energy: 1.1151039995464902
Energy: 1.1149220333466499
Energy: 1.4725544915614026
Energy: 1.1371489152516703
Energy: 1.1363319389853226
Energy: 1.1150532088343386
Energy: 1.687187452907357
Energy: 1.1144803806276407
Energy: 1.137837794682709
Energy: 1.4214851628263554
Energy: 1.4250324410370285
Energy: 1.3706552943390966
Energy: 1.687187452905875
Energy: 1.1144803806296164
Energy: 1.137837794682215
Energy: 1.4214851628273435
Energy: 1.1386393607269647
Energy: 1.303895881179244
Energy: 1.2351768357070665
Energy: 1.1364679285609915
Energy: 1.1360003607301312
Energy: 1.281161654349787
Energy: 1.1386393607304226
Energy: 1.3038958811861598
Energy: 1.2351768357149704
Energy: 1.1364679285609915
Energy: 1.1364599562317246
Energy: 1.176628797040295
Energy: 1.3047036184317056
Energy: 1.4245544756807724
Energy: 1.280374215725373
Energy: 1.1361233785552909
Energy: 1.1364599562307365
Energy: 1.176628797039307
Energy: 1.3047036184252836
Energy: 1.4245544756807724
Energy: 1.42190869742144
Energy: 1.137882592435379
Energy: 1.1145025468383989
Energy: 1.6874162055495723
Energy: 1.3708753959386395
Energy: 1.4275811478929408
Energy: 1.4219086974224282
Energy: 1.1378825924363671
Energy: 1.1145025468398808
Energy: 1.6874162055535242
Energy: 1.115042087033627
Energy: 1.1360551361466233
Energy: 1.1374510027101714
Energy: 1.4706026906939949
Energy: 1.1141028619423965
Energy: 1.1152195401660763
Energy: 1.115042087035603
Energy: 1.1360551361476112
Energy: 1.1374510027106655
Energy: 1.4706026906915248
Energy: 1.3926214579527834
Energy: 1.4537388990922746
Energy: 1.135903195983273
Energy: 1.7091654895692134
Energy: 1.1361317388136853
Energy: 1.1373278214804197
Energy: 1.3926214579527834
Energy: 1.453738899097708
Energy: 1.135903195981297
Energy: 1.7091654895682256
Energy: 1.1361836951421826
Energy: 1.1143797172760244
Energy: 1.138319337234776
Energy: 1.419735008598028
Energy: 1.2355357081017626
Energy: 1.1359186955600373
Energy: 1.1361836951402067
Energy: 1.1143797172755305
Energy: 1.138319337236213
Energy: 1.4197350085985219

minimum gb energy = 1.1141028619423965 eV
minimum distance =  2.18334453617289 Angstroms
sigma value = 33


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

Energy: 1.3870480570729065
Energy: 1.4421655233244075
Energy: 1.3848866816979228
Energy: 1.5619578999848385
Energy: 1.3844701585224732
Energy: 1.4398918859705576
Energy: 1.3870480570718218
Energy: 1.4421655233368822
Energy: 1.3848866816973804
Energy: 1.3841893073635443
Energy: 1.4946612264729944
Energy: 1.3699303114942514
Energy: 1.200859836915892
Energy: 1.2989677413196137
Energy: 1.2281353544849858
Energy: 1.2684965537824642
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Energy: 1.3699303114888275
Energy: 1.2008598369229426
Energy: 1.2989677413133764
Energy: 1.3938949744725462
Energy: 1.2074312669709097
Energy: 1.4301178119470026
Energy: 1.524521456647856
Energy: 1.2325776455749695
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Energy: 1.3938949744673939
Energy: 1.2074312669649436
Energy: 1.43011781195324
Energy: 1.5245214566494585
Energy: 1.3145039511979495
Energy: 1.2045440854806846
Energy: 1.2859686785546494
Energy: 1.3659062104856914
Energy: 1.4003827566624996
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Energy: 1.3145039511876446
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Energy: 1.2859686785565474
Energy: 1.365906210486234
Energy: 1.286688030577669
Energy: 1.2074658432144496
Energy: 1.3311699070061729
Energy: 1.4566792857839284
Energy: 1.3830904132090829
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Energy: 1.286688030577398
Energy: 1.2074658432149918
Energy: 1.3311699070091556
Energy: 1.4566792857809452
Energy: 1.5348967658439638
Energy: 1.204013016700113
Energy: 1.3348338036776057
Energy: 1.2712896800436138
Energy: 1.2324845780438327
Energy: 1.5181057488573502
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Energy: 1.3002699752056641
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Energy: 1.2705420359517479
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Energy: 1.4700430301626128
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Energy: 1.2864378582343632
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Energy: 1.4700430301664094
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Energy: 1.3968264877438006
Energy: 1.2044804940432994
Energy: 1.3827671367405996
Energy: 1.3627810034512118
Energy: 1.2868955034526877
Energy: 1.2037571247989254
Energy: 1.3184056869715808
Energy: 1.4581190592357922
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Energy: 1.2868955034521452
Energy: 1.2037571248010948
Energy: 1.2335889882304083
Energy: 1.3720770541254506
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Energy: 1.2043481502802509
Energy: 1.2946968535234515
Energy: 1.2712232006387394
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Energy: 1.5238588261255412
Energy: 1.2043481502732003
Energy: 1.2323150752222352
Energy: 1.3001611701177123
Energy: 1.3755613694237734
Energy: 1.2997024544125466
Energy: 1.4938954017694202
Energy: 1.2713967017491146
Energy: 1.23231507522332
Energy: 1.300161170118797
Energy: 1.3755613694259428
Energy: 1.2997024544182414
Energy: 1.231050092508157
Energy: 1.2988964574646154
Energy: 1.3847618658098204
Energy: 1.4337089629533906
Energy: 1.3552550407620776
Energy: 1.4740914850967712
Energy: 1.2310500924783512
Energy: 1.2988964574667847
Energy: 1.3847618658073797
Energy: 1.433708962956916
Energy: 1.1994819805788772
Energy: 1.2994483463971043
Energy: 1.228000745312355
Energy: 1.270162183801636
Energy: 1.3774543203770309
Energy: 1.4046304781646541
Energy: 1.199481980576979
Energy: 1.2994483464027993
Energy: 1.2280007453139818
Energy: 1.270162183797568
Energy: 1.2832099767808383
Energy: 1.4580888010930255
Energy: 1.231982972933342
Energy: 1.2712740031716177
Energy: 1.2599072451026618
Energy: 1.203325900113908
Energy: 1.283209976784635
Energy: 1.4580888010965507
Energy: 1.2319829729406642
Energy: 1.2712740031746008
Energy: 1.286412814488031
Energy: 1.3637968115757055
Energy: 1.4697611914878086
Energy: 1.2321073838863357
Energy: 1.3909477086391762
Energy: 1.2077103017193112
Energy: 1.28641281449126
Energy: 1.3637968115784171
Energy: 1.4697611914831987
Energy: 1.2321073838727763
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Energy: 1.3985967509649602
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Energy: 1.2963998931139138
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Energy: 1.2698148407561531
Energy: 1.2870114256735685
Energy: 1.2769963140089315
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Energy: 1.2705880852231413
Energy: 1.222886826196656
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Energy: 1.2862327332747376
Energy: 1.3626263928091835
Energy: 1.469006797264657
Energy: 1.3624048987390425

minimum gb energy = 1.198996422533699 eV
minimum distance =  2.1939513413021 Angstroms
sigma value = 219


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

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Energy: 1.1866329671765268
Energy: 1.4380293174976786
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Energy: 1.2237745664386126
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Energy: 1.2213330828863318
Energy: 1.186550283156815
Energy: 1.2395299523574075
Energy: 1.1868007219480587
Energy: 1.3637575483140791

minimum gb energy = 1.1827355772588053 eV
minimum distance =  2.30963510876774 Angstroms
sigma value = 15


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

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minimum gb energy = 1.3041866926068868 eV
minimum distance =  2.22385286756515 Angstroms
sigma value = 293


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

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Energy: 1.356034827362233
Energy: 1.3775376858634667
Energy: 1.3135807780720883
Energy: 1.4202633952712604
Energy: 1.3884175410927886
Energy: 1.3568894761571066
Energy: 1.3744383942060605
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Energy: 1.3884175410927886
Energy: 1.3568894761550796
Energy: 1.5179400931357558
Energy: 1.4327276381775205
Energy: 1.3748098237682072
Energy: 1.581582399818959
Energy: 1.3779108374499756
Energy: 1.4329416378789765
Energy: 1.5179400931365665
Energy: 1.4327276381803582
Energy: 1.3748098237661803
Energy: 1.506082541073928
Energy: 1.3138033428136593
Energy: 1.5062303529490155
Energy: 1.3757844274738815
Energy: 1.3570817335714465
Energy: 1.388418874903673
Energy: 1.4207928385093234
Energy: 1.3138033428189295
Energy: 1.5062303529469885
Energy: 1.3757844274730706
Energy: 1.3570817335722574
Energy: 1.4397658212922742
Energy: 1.3957292124568788
Energy: 1.4230099112192462
Energy: 1.3776667439276633
Energy: 1.3890885157736654
Energy: 1.299261764430832
Energy: 1.4397658212922742
Energy: 1.3957292124568788
Energy: 1.423009911218841
Energy: 1.3776667439288797
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Energy: 1.3397244840875664
Energy: 1.4803727475295474
Energy: 1.4160795744765393
Energy: 1.3882796635013077
Energy: 1.57017981749228
Energy: 1.3125727910778016
Energy: 1.3397244840879718
Energy: 1.4803727475307638
Energy: 1.41607957447735
Energy: 1.388279663500497
Energy: 1.347161484854552
Energy: 1.3639519426470748
Energy: 1.3528502878754913
Energy: 1.5228091755672233
Energy: 1.3825438693523253
Energy: 1.412562969610887
Energy: 1.3471614848509035
Energy: 1.3639519426478857
Energy: 1.3528502878750857
Energy: 1.5228091755672233
Energy: 1.3799922359966341
Energy: 1.4267759274017084
Energy: 1.4241273901328937
Energy: 1.4757076819671413
Energy: 1.4065081070836611
Energy: 1.4828712079121638
Energy: 1.3799922359966341
Energy: 1.4267759274017084
Energy: 1.4241273901332994
Energy: 1.4757076819655197
Energy: 1.3879819269866356
Energy: 1.403075102420188
Energy: 1.403081813881498
Energy: 1.3882300987535394
Energy: 1.3449201333578182
Energy: 1.3448713301148063
Energy: 1.3879819269862304
Energy: 1.403075102421404
Energy: 1.4030818138823087
Energy: 1.3882300987502962
Energy: 1.4760565928109044
Energy: 1.4250447068647911
Energy: 1.3803329394648658
Energy: 1.3801342018159484
Energy: 1.482840332863081
Energy: 1.4073543769359886
Energy: 1.4760565928121205
Energy: 1.4250447068651966
Energy: 1.3803329394636497
Energy: 1.38013420181757
Energy: 1.522498366912001
Energy: 1.3527465298456351
Energy: 1.363950590431495
Energy: 1.3472431457495517
Energy: 1.4128560164864494
Energy: 1.3827004019639124
Energy: 1.5224983669115955
Energy: 1.35274652984523
Energy: 1.3639505904323057
Energy: 1.347243145748741
Energy: 1.3909432504586794
Energy: 1.4162548668629877
Energy: 1.4803727475283313
Energy: 1.3394877490400963
Energy: 1.3123252508316612
Energy: 1.57017981749228
Energy: 1.3909432504586794
Energy: 1.416254866863393
Energy: 1.4803727475283313
Energy: 1.3394877490409067
Energy: 1.4373868867923607
Energy: 1.5077985602131128
Energy: 1.3977378938566973
Energy: 1.3948357283060817
Energy: 1.3883883618913566
Energy: 1.3781544056367216
Energy: 1.437386886792766
Energy: 1.5077985602143291
Energy: 1.3977378938575078
Energy: 1.394835728166295

minimum gb energy = 1.299261764430832 eV
minimum distance =  2.21128989179705 Angstroms
sigma value = 293


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

Energy: 1.1247726792793393
Energy: 1.3834328138550054
Energy: 1.1549286065281636
Energy: 1.3978190201186877
Energy: 1.1549342521762453
Energy: 1.3750364897400662
Energy: 1.124772679277874
Energy: 1.383432813639691
Energy: 1.1549286065237676
Energy: 1.4398565503828817
Energy: 1.2305985177731749
Energy: 1.591940848381297
Energy: 1.1549440080850746
Energy: 1.4032152443270018
Energy: 1.5698856777521173
Energy: 1.155474072403501
Energy: 1.2305985177775711
Energy: 1.4849010200848967
Energy: 1.1549440080850746
Energy: 1.5474290762212157
Energy: 1.198246559039064
Energy: 1.12075978152287
Energy: 1.5041597906706852
Energy: 1.1208613605589197
Energy: 1.2777935033017391
Energy: 1.157442763652364
Energy: 1.1982465590397968
Energy: 1.1207597815206718
Energy: 1.5041597906692203
Energy: 1.1208613605545237
Energy: 1.5041489527606562
Energy: 1.1207548965548562
Energy: 1.1981765736266037
Energy: 1.1574376535432107
Energy: 1.2303574338058152
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Energy: 1.1550453166949521
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Energy: 1.3750364891768518
Energy: 1.124772679277874
Energy: 1.383432813482227
Energy: 1.5698856777528503
Energy: 1.155474072403501
Energy: 1.2305985177753729
Energy: 1.735617401720377
Energy: 1.1549440080858073
Energy: 1.5439718058567986
Energy: 1.5698856777521173
Energy: 1.155474072405699
Energy: 1.2305985177753729
Energy: 1.4849010200841641
Energy: 1.2777935033024719
Energy: 1.1574427636501659
Energy: 1.1982465590383315
Energy: 1.1207597815214045
Energy: 1.5041597906699526
Energy: 1.1208613605515927
Energy: 1.2777935033017391
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Energy: 1.198246559039064
Energy: 1.1207597815214045
Energy: 1.2303574338058152
Energy: 1.1208635545338301
Energy: 1.5041489527621215
Energy: 1.1207548965541232
Energy: 1.1981765736266037
Energy: 1.1574376535432107
Energy: 1.230357433808746
Energy: 1.1208635545352954
Energy: 1.504148952761389
Energy: 1.1207548965548562
Energy: 1.5697881710529311
Energy: 1.4314725934238712
Energy: 1.155045316692754
Energy: 1.6080926251792813
Energy: 1.2305960488277126
Energy: 1.1555629443383897
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Energy: 1.3814561402438235
Energy: 1.1550453166942194
Energy: 1.7275227123690529
Energy: 1.1549286065245001
Energy: 1.517675042858468
Energy: 1.1549342521733148
Energy: 1.4692303303654108
Energy: 1.1247726792793393
Energy: 1.3834328134983465
Energy: 1.1549286065259654
Energy: 1.4396136053273996
Energy: 1.1549342521725823
Energy: 1.3750364879398858
Energy: 1.1549440080850746
Energy: 1.5439718058546004
Energy: 1.5698856777528503
Energy: 1.1554740724093628
Energy: 1.2305985177746404
Energy: 1.6662654941057629
Energy: 1.1549440080850746
Energy: 1.5474290762212157
Energy: 1.5698856777521173
Energy: 1.1554740724027681
Energy: 1.5041597906684874
Energy: 1.1208613605574544
Energy: 1.2777935033024719
Energy: 1.1574427636508988
Energy: 1.1982465590375986
Energy: 1.1207597815206718
Energy: 1.5041597906692203
Energy: 1.120861360555989
Energy: 1.2777935033002736
Energy: 1.157442763652364
Energy: 1.1981765736251384
Energy: 1.157437653542478
Energy: 1.2303574338080132
Energy: 1.1208635545316321
Energy: 1.5041489527599234
Energy: 1.1207548965570542
Energy: 1.1981765736273366
Energy: 1.1574376535439432
Energy: 1.230357433808746
Energy: 1.1208635545279684
Energy: 1.230596048826247
Energy: 1.1555629443398552
Energy: 1.5697881710514658
Energy: 1.381456140245289
Energy: 1.155045316692754
Energy: 1.4867080633792098
Energy: 1.230596048826247
Energy: 1.1555629443413205
Energy: 1.5697881710521986
Energy: 1.3814561402423582
Energy: 1.1247726792786068
Energy: 1.3834328134536846
Energy: 1.1549286065281636
Energy: 1.462964231596475
Energy: 1.1549342521747803
Energy: 1.3750364884327606
Energy: 1.1247726792793393
Energy: 1.3834328136484835
Energy: 1.1549286065259654
Energy: 1.3978190202534382
Energy: 1.2305985177775711
Energy: 1.7879461192572246
Energy: 1.1549440080872728
Energy: 1.5474290762219485
Energy: 1.5698856777535828
Energy: 1.1554740724049666
Energy: 1.2305985177753729
Energy: 1.7356174017196442
Energy: 1.1549440080865399
Energy: 1.5474290762219485
Energy: 1.1982465590397968
Energy: 1.12075978152287
Energy: 1.5041597906692203
Energy: 1.1208613605545237
Energy: 1.2777935032995411
Energy: 1.1574427636508988
Energy: 1.1982465590419948
Energy: 1.1207597815236026
Energy: 1.5041597906684874
Energy: 1.1208613605596527
Energy: 1.5041489527606562
Energy: 1.1207548965555887
Energy: 1.1981765736273366
Energy: 1.1574376535417454
Energy: 1.2303574338058152
Energy: 1.120863554536761
Energy: 1.5041489527621215
Energy: 1.1207548965541232
Energy: 1.1981765736251384
Energy: 1.1574376535432107
Energy: 1.1550453166920214
Energy: 1.4867080633814076
Energy: 1.230596048826247
Energy: 1.1555629443398552
Energy: 1.5697881710521986
Energy: 1.3814561402430907
Energy: 1.1550453166912884
Energy: 1.5028838321781701
Energy: 1.2305960488299108
Energy: 1.1555629443383897
Energy: 1.1549342521740475
Energy: 1.3750364880643782
Energy: 1.1247726792786068
Energy: 1.383432813494683
Energy: 1.1549286065259654
Energy: 1.514528672174336
Energy: 1.1549342521725823
Energy: 1.375036487764104
Energy: 1.1247726792793393
Energy: 1.3834328134624774
Energy: 1.5698856777521173
Energy: 1.1554740724042336
Energy: 1.2305985177761058
Energy: 1.7879461192557593
Energy: 1.1549440080843418
Energy: 1.5474290762197505
Energy: 1.5698856777535828
Energy: 1.155474072403501
Energy: 1.2305985177746404
Energy: 1.735617401717446

minimum gb energy = 1.1207548965541232 eV
minimum distance =  2.23490486580474 Angstroms
sigma value = 15


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

Energy: 1.5635655072496257
Energy: 1.331051401050226
Energy: 1.3838131524292332
Energy: 1.3389525714533328
Energy: 1.383815864454336
Energy: 1.3310520052477197
Energy: 1.5635655072476327
Energy: 1.3310514010495615
Energy: 1.383813152430894
Energy: 1.3539715678717588
Energy: 1.3918565078349796
Energy: 1.5162122781160394
Energy: 1.3824781286347707
Energy: 1.362608161020445
Energy: 1.3775758827955153
Energy: 1.3218734595775312
Energy: 1.391856507830662
Energy: 1.5162122781177
Energy: 1.382478128635435
Energy: 1.3626081610184522
Energy: 1.4259160524808743
Energy: 1.3289433188995814
Energy: 1.447982414727952
Energy: 1.367518327648839
Energy: 1.4266320167422755
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Energy: 1.4259160524818706
Energy: 1.3289433188995814
Energy: 1.4479824147249627
Energy: 1.3675183276485068
Energy: 1.4697387244492588
Energy: 1.335764925892324
Energy: 1.3767723224603707
Energy: 1.3263557002933066
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Energy: 1.3263557002939708
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Energy: 1.2839350299618641
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Energy: 1.3455097584685032
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Energy: 1.4533695044516066
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Energy: 1.3728254187041256
Energy: 1.3505965630554566
Energy: 1.3883767436444425
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Energy: 1.4848794343554894
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Energy: 1.3883767436424497
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Energy: 1.4848794343531646
Energy: 1.3302874520264707
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Energy: 1.498319804539281
Energy: 1.329024881720663
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Energy: 1.3184959494164161
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Energy: 1.404745823523777
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Energy: 1.3290248817209949
Energy: 1.4060701494249974
Energy: 1.35046517419916
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Energy: 1.515710477834903
Energy: 1.4757158807474533
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Energy: 1.4682932717461425
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Energy: 1.318403350307972
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Energy: 1.3775164097850743
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Energy: 1.3779251994301045
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Energy: 1.3096263662466407
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Energy: 1.4667475470871645
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Energy: 1.3096263662463086
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Energy: 1.4344766763401253
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Energy: 1.367545202131046
Energy: 1.3557949169909245
Energy: 1.4079468996014328
Energy: 1.3259045476648483
Energy: 1.383224411420948
Energy: 1.3613114259797836
Energy: 1.4605990711555954
Energy: 1.3362355472064644
Energy: 1.4079468996030937
Energy: 1.3259045476635198
Energy: 1.3832244114206158
Energy: 1.3613114259781227
Energy: 1.2990089919644658
Energy: 1.418397223131797
Energy: 1.3192781915474396
Energy: 1.3321466936019046
Energy: 1.3796081237617266
Energy: 1.465272814953771
Energy: 1.2990089919667906
Energy: 1.418397223131797
Energy: 1.3192781915454472
Energy: 1.3321466936025688
Energy: 1.4746688452792056
Energy: 1.3552286847336819
Energy: 1.3789996588833195
Energy: 1.5566471176156087
Energy: 1.3801579670691044
Energy: 1.4257691182344363
Energy: 1.4746688452802021
Energy: 1.355228684726375
Energy: 1.3789996588826554
Energy: 1.5566471176179337
Energy: 1.282844402960899
Energy: 1.4742837661781103
Energy: 1.3780282746409
Energy: 1.3659890643657346
Energy: 1.4696804851345584
Energy: 1.3765779504561613
Energy: 1.2828444029599027
Energy: 1.4742837661784425
Energy: 1.3780282746412322
Energy: 1.3659890643654025
Energy: 1.382385839381586
Energy: 1.3791033364194396
Energy: 1.692300958882191
Energy: 1.3688219691597006
Energy: 1.3555654641963204
Energy: 1.4784073449268453
Energy: 1.3823858393799253
Energy: 1.3791033364187752
Energy: 1.3394552921634681
Energy: 1.3688219691580399
Energy: 1.4646609630299305
Energy: 1.3795510525003174
Energy: 1.3575405261226483
Energy: 1.3068493502739378
Energy: 1.3933321166663264
Energy: 1.368964429468019
Energy: 1.464660963084702
Energy: 1.3795510524979926
Energy: 1.3575405261256375
Energy: 1.3068493502749343
Energy: 1.2895022994729204
Energy: 1.43455668906865
Energy: 1.3668764668361237
Energy: 1.3726992346259443
Energy: 1.3612877445999336
Energy: 1.4029407502343876
Energy: 1.2895022994752452
Energy: 1.43455668906865
Energy: 1.36687646683712
Energy: 1.3726992346269409
Energy: 1.2898525807804275
Energy: 1.4389585419337438
Energy: 1.3504835159516135
Energy: 1.3760350346434418
Energy: 1.3259916673047882
Energy: 1.3622499119647298
Energy: 1.2898525807784347
Energy: 1.4389585419300905
Energy: 1.350483515952942
Energy: 1.3760350346441061
Energy: 1.5236387268391933
Energy: 1.2977444362722286
Energy: 1.3852305285385242
Energy: 1.2955302753578195
Energy: 1.3786092918103396
Energy: 1.378929102929562
Energy: 1.5236387268428468
Energy: 1.2977444362718964
Energy: 1.3852305285418458
Energy: 1.2955302753584836
Energy: 1.4275130110478744
Energy: 1.4533910934875538
Energy: 1.351496033799743
Energy: 1.3220936513484212
Energy: 1.385890753148341
Energy: 1.3791470308738303
Energy: 1.427513011046546
Energy: 1.4533910934822396
Energy: 1.3514960337964217
Energy: 1.3220936513480892
Energy: 1.3492348812827955
Energy: 1.384924124250205
Energy: 1.457255454400426
Energy: 1.3733557598906652
Energy: 1.3789944700063703
Energy: 1.4730654321810506
Energy: 1.3492348812851205
Energy: 1.3849241242478803
Energy: 1.4572554544024188
Energy: 1.3733557598919937
Energy: 1.447109871760729
Energy: 1.385283103395026
Energy: 1.4400832497970963
Energy: 1.5442534398943173
Energy: 1.3807396265027787
Energy: 1.3550452788845013
Energy: 1.4471098717603967
Energy: 1.3852831033940296
Energy: 1.4400832497961
Energy: 1.5442534398926564
Energy: 1.3469989751002693
Energy: 1.4574036329899505
Energy: 1.3514535994684373
Energy: 1.3325682238056609
Energy: 1.3215925037493927
Energy: 1.3916382201104107
Energy: 1.3469989751012656
Energy: 1.4574036329902826
Energy: 1.3514535994681052
Energy: 1.3325682238066574
Energy: 1.3698671263295505
Energy: 1.3360982506707841
Energy: 1.4998921879384293
Energy: 1.365591608191754
Energy: 1.3833528862307323
Energy: 1.324124935590728
Energy: 1.3698671263315432
Energy: 1.3360982506727768
Energy: 1.4998921879390936
Energy: 1.3655916081934145
Energy: 1.3802928125360674
Energy: 1.28199873800654
Energy: 1.4889791109545185
Energy: 1.3487868154117335
Energy: 1.3739956184648596
Energy: 1.3299469651687552
Energy: 1.380292812678492
Energy: 1.2819987380042153
Energy: 1.4889791109558475
Energy: 1.348786815413062
Energy: 1.3477161155529287
Energy: 1.4215624151314639
Energy: 1.2848196335665685
Energy: 1.3104698063525502
Energy: 1.3110082565095333
Energy: 1.3743098699220508
Energy: 1.3477161155509358
Energy: 1.4215624151424247
Energy: 1.2848196335685613
Energy: 1.3104698063565359
Energy: 1.3721767342741509
Energy: 1.4983260904783544
Energy: 1.4560851995927468
Energy: 1.3681408856416297
Energy: 1.3181624141609107
Energy: 1.4054618546082969
Energy: 1.37217673427249
Energy: 1.4983260904786866
Energy: 1.4560851995844435
Energy: 1.3681408856442867
Energy: 1.4076692310060246
Energy: 1.3606457975865953
Energy: 1.4441823042264093
Energy: 1.4300270303489442
Energy: 1.361255432172524
Energy: 1.3199233441974165
Energy: 1.407669231007021
Energy: 1.360645797588256
Energy: 1.444182304231029
Energy: 1.4300270303479476
Energy: 1.290219517657131
Energy: 1.4003712764364638
Energy: 1.3856356975204214
Energy: 1.437276960834192
Energy: 1.4392389204953369
Energy: 1.3669908607279357
Energy: 1.2902195176511524
Energy: 1.400371276432478
Energy: 1.3856356975210857
Energy: 1.4372769608338598
Energy: 1.3667722309359231
Energy: 1.362375125376726
Energy: 1.3882885113564358
Energy: 1.327908670359098
Energy: 1.4719636469406536
Energy: 1.3123088403527465
Energy: 1.3667722309375836
Energy: 1.3623751253763938
Energy: 1.3882885113571002
Energy: 1.327908670361091
Energy: 1.3224320207377236
Energy: 1.3531454137596999
Energy: 1.4601336319345413
Energy: 1.544712724760627
Energy: 1.3620828445268032
Energy: 1.4433737910462243
Energy: 1.322432020743702
Energy: 1.3531454137557146
Energy: 1.4601336319362022
Energy: 1.5447127247612913
Energy: 1.2971614178465343
Energy: 1.3283926686714442
Energy: 1.3327501497707979
Energy: 1.5150845817798235
Energy: 1.403704999488751
Energy: 1.3621815592709425
Energy: 1.2971614178452058
Energy: 1.3283926686651337
Energy: 1.3327501497651517
Energy: 1.5150845817818162
Energy: 1.3748977614295808
Energy: 1.3487639296606881
Energy: 1.4613812718848773
Energy: 1.2893102896742514
Energy: 1.3796305610430597
Energy: 1.2957646071028563
Energy: 1.3748977614285842
Energy: 1.3487639296620164
Energy: 1.461381271883579
Energy: 1.289310289676576

minimum gb energy = 1.2819987380042153 eV
minimum distance =  2.25397158359551 Angstroms
sigma value = 437


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

Energy: 1.397268137766578
Energy: 1.471718045826684
Energy: 1.3804064731278956
Energy: 1.4877996706548617
Energy: 1.380228643880929
Energy: 1.470893548939483
Energy: 1.3972681377689982
Energy: 1.4717180458254744
Energy: 1.3804064731315258
Energy: 1.5787477763189701
Energy: 1.4057350620694946
Energy: 1.7443545944437653
Energy: 1.3317969487826875
Energy: 1.347140866596361
Energy: 1.5326276938836412
Energy: 1.3453663953631392
Energy: 1.4057350620719147
Energy: 1.7443545944437653
Energy: 1.3317969487863175
Energy: 1.347140866596361
Energy: 1.3494854581834976
Energy: 1.3635250882828598
Energy: 1.4847058003332705
Energy: 1.3556304937359531
Energy: 1.4134137769857997
Energy: 1.3608289331104193
Energy: 1.3494854581883378
Energy: 1.3635250882816499
Energy: 1.4847058004711573
Energy: 1.3556304937323234
Energy: 1.7095363506523886
Energy: 1.3292861006606926
Energy: 1.3518726054020218
Energy: 1.3078856064050566
Energy: 1.3567901344150954
Energy: 1.3283733701856666
Energy: 1.7095363506535985
Energy: 1.3292861006570627
Energy: 1.3518726053971817
Energy: 1.3078856064038467
Energy: 1.3364247230543531
Energy: 1.5175207259662424
Energy: 1.3616040328039392
Energy: 1.417788082480091
Energy: 1.2861872561125192
Energy: 1.334252574624196
Energy: 1.3364247230555633
Energy: 1.3666959923081812
Energy: 1.3616040328136194
Energy: 1.417788082480091
Energy: 1.3371695216989987
Energy: 1.4400011249236735
Energy: 1.3443264588381632
Energy: 1.322909026195221
Energy: 1.3212017544096828
Energy: 1.4496943713887904
Energy: 1.3371695216965787
Energy: 1.4400011249273035
Energy: 1.3443264588345332
Energy: 1.322909026191591
Energy: 1.6396070961773574
Energy: 1.3559462310382249
Energy: 1.4113031887745253
Energy: 1.3059391595180068
Energy: 1.5862328272333033
Energy: 1.3401835515276417
Energy: 1.6396070961749372
Energy: 1.3559462310394348
Energy: 1.411303188770895
Energy: 1.3059391595180068
Energy: 1.3521191143555569
Energy: 1.3458488363060108
Energy: 1.3325370705133623
Energy: 1.309584683600372
Energy: 1.4849741288009335
Energy: 1.3290815766483404
Energy: 1.3521191143579772
Energy: 1.3458488363060108
Energy: 1.3325370705230424
Energy: 1.309584683605212
Energy: 1.3117440452603648
Energy: 1.4194503489517365
Energy: 1.6808622238374251
Energy: 1.581183025800747
Energy: 1.3799060820289728
Energy: 1.6096730427676835
Energy: 1.311744045259155
Energy: 1.4194503489505264
Energy: 1.680862223833795
Energy: 1.581183025800747
Energy: 1.4825640387582015
Energy: 1.329139914506662
Energy: 1.3266487239069527
Energy: 1.4216329213497099
Energy: 1.3330497612015184
Energy: 1.54469775536633
Energy: 1.4825640387557815
Energy: 1.329139914509082
Energy: 1.3266487239117926
Energy: 1.4216329213497099
Energy: 1.574132042804377
Energy: 1.3065730387059893
Energy: 1.3341015707195407
Energy: 1.3488617968043894
Energy: 1.4176697019857694
Energy: 1.3324376435396141
Energy: 1.574132042803167
Energy: 1.306573038704779
Energy: 1.3341015707195407
Energy: 1.3488617968007595
Energy: 1.3001195405541701
Energy: 1.3431639301257354
Energy: 1.5570090739319717
Energy: 1.3091309502830828
Energy: 1.5562590717056881
Energy: 1.3433835163093093
Energy: 1.3001195405517503
Energy: 1.3431639301196856
Energy: 1.5570090739295517
Energy: 1.3091309502818727
Energy: 1.5741946456663949
Energy: 1.3325294012522535
Energy: 1.4176697019881892
Energy: 1.3488932517878107
Energy: 1.3340397109808204
Energy: 1.3065220840561447
Energy: 1.5741946456627651
Energy: 1.3325294012510434
Energy: 1.4176697019906095
Energy: 1.3488932517890209
Energy: 1.492952207677132
Energy: 1.5438202513687207
Energy: 1.3330982648831593
Energy: 1.4216508270351886
Energy: 1.3447147562770587
Energy: 1.3291456400462534
Energy: 1.492952207669872
Energy: 1.5438202513663004
Energy: 1.3330982648807392
Energy: 1.4216508270328234

minimum gb energy = 1.2861872561125192 eV
minimum distance =  2.24117169907651 Angstroms
sigma value = 33